| 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 | 32.1 | Very low | 32 | Very low | 237 Ų | 237 | 140.6 Ų | 140.6 | 100% | 1.167 | 74% | 0.742 | S | S | * | * | 0 | 89.8 | 0 | -54.6 | 171.8 | -176.2 | 0 | 0 | 105.5 | |||||
| 2 | Q | 27.5 | Very low | 32.1 | Very low | 187 Ų | 187 | 133.8 Ų | 133.8 | 87% | 0.874 | 71% | 0.714 | S | S | * | * | cis | 57.7 | 102.8 | 34.3 | -87.2 | -174 | -14.7 | 0 | 0 | 113.3 | ||||
| 3 | N | 24.9 | Very low | 32.4 | Very low | 158 Ų | 158 | 131.7 Ų | 131.7 | 85% | 0.845 | 70% | 0.7 | S | S | * | * | trans | 64.2 | 153.9 | 160.3 | -80.3 | -11.3 | 0 | 0 | 0 | 119.5 | ||||
| 4 | P | 41.6 | Very low | 32.6 | Very low | 95 Ų | 95 | 133.1 Ų | 133.1 | 62% | 0.617 | 69% | 0.693 | S | S | * | * | cis | -142.9 | 118.9 | -36 | 35 | -16.1 | 0 | 0 | 0 | 113.8 | ||||
| 5 | V | 31.1 | Very low | 33 | Very low | 116 Ų | 116 | 130.3 Ų | 130.3 | 70% | 0.703 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -100.1 | -17.4 | 168.7 | -174.8 | 0 | 0 | 0 | 0 | 112.5 | K7 | V5-K7 PolarHBondContact O-N 2.75Š|
| 6 | G | 29.1 | Very low | 33.1 | Very low | 76 Ų | 76 | 128.4 Ų | 128.4 | 78% | 0.784 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | 28.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 7 | K | 29.5 | Very low | 33 | Very low | 168 Ų | 168 | 125.4 Ų | 125.4 | 73% | 0.73 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.6 | 7.9 | 178 | -95.8 | -165.1 | 173.7 | -168.6 | 0 | 115.8 | V5 | V5-K7 PolarHBondContact O-N 2.75Š|
| 8 | I | 31.9 | Very low | 33 | Very low | 110 Ų | 110 | 122.6 Ų | 122.6 | 56% | 0.564 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -100.8 | -34.1 | 175.1 | -61 | 179.6 | 0 | 0 | 0 | 111.9 | T10 H11 C12 | I8-T10 PolarHBondContact O-N 3.32Å; I8-H11 CarbonylContact O-C 3.54Å; I8-H11 WeakPolarHBondContact O-CA 3.45Å; I8-H11 PolarHBondContact O-N 3.21Å; I8-C12 PolarHBondContact O-N 3.4Å |
| 9 | Y | 31.6 | Very low | 33 | Very low | 176 Ų | 176 | 121.5 Ų | 121.5 | 69% | 0.69 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -66.2 | -30.5 | -177.6 | -80.1 | -79.8 | 0 | 0 | 0 | 114.9 | H11 I13 | Y9-H11 PolarHBondContact O-N 2.65Å; Y9-I13 PolarHBondContact O-N 2.82Å |
| 10 | T | 35.1 | Very low | 32.8 | Very low | 101 Ų | 101 | 121.5 Ų | 121.5 | 62% | 0.62 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -81.2 | 1.5 | 170.6 | 43.9 | 0 | 0 | 0 | 0 | 113.9 | I8 Y14 | I8-T10 PolarHBondContact O-N 3.32Å; T10-Y14 WeakPolarHBondContact O-CB 3.36Å |
| 11 | H | 37.2 | Very low | 32.7 | Very low | 123 Ų | 123 | 123 Ų | 123 | 57% | 0.569 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -105.6 | -33.4 | 164 | -80.8 | 4.8 | 0 | 0 | 0 | 112.2 | I8 Y9 I13 Y14 I15 | I8-H11 CarbonylContact O-C 3.54Å; I8-H11 WeakPolarHBondContact O-CA 3.45Å; I8-H11 PolarHBondContact O-N 3.21Å; Y9-H11 PolarHBondContact O-N 2.65Å; H11-I13 PolarHBondContact O-N 3.39Å; H11-Y14 CarbonylContact O-C 3.52Å; H11-Y14 PolarHBondContact O-N 2.94Å; H11-I15 HydrophobicContact CB-CD1 4.35Å; H11-I15 WeakPolarHBondContact O-CB 3.06Å; H11-I15 WeakPolarHBondContact O-CD1 3.46Å; H11-I15 WeakPolarHBondContact O-CG1 3.2Å; H11-I15 PolarHBondContact O-N 3.31Å |
| 12 | C | 33.5 | Very low | 32.3 | Very low | 59 Ų | 59 | 116.6 Ų | 116.6 | 40% | 0.399 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -63.4 | -43.2 | 172.6 | -70.2 | 0 | 0 | 0 | 0 | 112.9 | I8 I15 I16 | I8-C12 PolarHBondContact O-N 3.4Å; C12-I15 PolarHBondContact O-N 2.79Å; C12-I16 WeakPolarHBondContact O-CB 3.23Å; C12-I16 VanDerWaalsContact O-CG1 3.28Å; C12-I16 WeakPolarHBondContact O-CG1 3.35Å; C12-I16 PolarHBondContact O-N 2.84Å |
| 13 | I | 36.3 | Very low | 32.2 | Very low | 106 Ų | 106 | 114.2 Ų | 114.2 | 54% | 0.544 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -68.1 | -36.8 | 176.2 | -68.1 | 174.1 | 0 | 0 | 0 | 111.3 | Y9 H11 I16 L17 | Y9-I13 PolarHBondContact O-N 2.82Å; H11-I13 PolarHBondContact O-N 3.39Å; I13-I16 PolarHBondContact O-N 2.92Å; I13-L17 HydrophobicContact CG2-CD1 3.87Å; I13-L17 WeakPolarHBondContact O-CB 3.25Å; I13-L17 WeakPolarHBondContact O-CG 3.29Å; I13-L17 PolarHBondContact O-N 3.17Å |
| 14 | Y | 35.6 | Very low | 32.3 | Very low | 152 Ų | 152 | 112.5 Ų | 112.5 | 60% | 0.596 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -74.6 | -25.4 | 176.8 | -142.9 | -97.5 | 0 | 0 | 0 | 112.6 | T10 H11 L18 | T10-Y14 WeakPolarHBondContact O-CB 3.36Å; H11-Y14 CarbonylContact O-C 3.52Å; H11-Y14 PolarHBondContact O-N 2.94Å; Y14-L18 HydrophobicContact CD1-CD1 3.63Å; Y14-L18 HydrophobicContact CD1-CG 4.01Å; Y14-L18 HydrophobicContact CE1-CD1 3.99Å; Y14-L18 HydrophobicContact CE1-CG 4.2Å; Y14-L18 WeakPolarHBondContact O-CB 3.06Å; Y14-L18 WeakPolarHBondContact O-CD1 3.49Å; Y14-L18 WeakPolarHBondContact O-CG 3.45Å; Y14-L18 PolarHBondContact O-N 3.23Å |
| 15 | I | 37.5 | Very low | 31.4 | Very low | 90 Ų | 90 | 115.9 Ų | 115.9 | 46% | 0.462 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -76.9 | -40.4 | 171.7 | -72.4 | 163.2 | 0 | 0 | 0 | 110.2 | H11 C12 L18 I19 | H11-I15 HydrophobicContact CB-CD1 4.35Å; H11-I15 WeakPolarHBondContact O-CB 3.06Å; H11-I15 WeakPolarHBondContact O-CD1 3.46Å; H11-I15 WeakPolarHBondContact O-CG1 3.2Å; H11-I15 PolarHBondContact O-N 3.31Å; C12-I15 PolarHBondContact O-N 2.79Å; I15-L18 CarbonylContact O-C 3.58Å; I15-L18 PolarHBondContact O-N 2.8Å; I15-I19 HydrophobicContact CG2-CD1 3.66Å; I15-I19 HydrophobicContact CG2-CG1 4.31Å; I15-I19 VanDerWaalsContact O-CB 3.32Å; I15-I19 WeakPolarHBondContact O-CB 3.37Å; I15-I19 WeakPolarHBondContact O-CD1 3.25Å; I15-I19 WeakPolarHBondContact O-CG1 3.19Å; I15-I19 PolarHBondContact O-N 2.79Å |
| 16 | I | 35.2 | Very low | 31 | Very low | 101 Ų | 101 | 116.1 Ų | 116.1 | 52% | 0.518 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -64.3 | -44.1 | 173.2 | -68.4 | 164.2 | 0 | 0 | 0 | 110.1 | C12 I13 I19 L20 | C12-I16 WeakPolarHBondContact O-CB 3.23Å; C12-I16 VanDerWaalsContact O-CG1 3.28Å; C12-I16 WeakPolarHBondContact O-CG1 3.35Å; C12-I16 PolarHBondContact O-N 2.84Å; I13-I16 PolarHBondContact O-N 2.92Å; I16-I19 PolarHBondContact O-N 3.06Å; I16-L20 HydrophobicContact CG2-CD1 4.24Å; I16-L20 WeakPolarHBondContact O-CG 3.46Å; I16-L20 PolarHBondContact O-N 2.05Å |
| 17 | L | 32 | Very low | 30.7 | Very low | 77 Ų | 77 | 115.3 Ų | 115.3 | 40% | 0.403 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -69.1 | -32.7 | 174.2 | -76.4 | 164.1 | 0 | 0 | 0 | 112.9 | I13 L20 F21 | I13-L17 HydrophobicContact CG2-CD1 3.87Å; I13-L17 WeakPolarHBondContact O-CB 3.25Å; I13-L17 WeakPolarHBondContact O-CG 3.29Å; I13-L17 PolarHBondContact O-N 3.17Å; L17-L20 PolarHBondContact O-N 2.79Å; L17-F21 HydrophobicContact CD2-CD2 4.07Å; L17-F21 HydrophobicContact CD2-CE2 3.84Å; L17-F21 VanDerWaalsContact O-CB 3.31Å; L17-F21 WeakPolarHBondContact O-CB 3.2Å; L17-F21 WeakPolarHBondContact O-CD2 3.36Å; L17-F21 PolarHBondContact O-N 2.78Å |
| 18 | L | 31.7 | Very low | 30.4 | Very low | 75 Ų | 75 | 111.3 Ų | 111.3 | 39% | 0.393 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -73.2 | -30.2 | 170.6 | -79.4 | 167.8 | 0 | 0 | 0 | 112.5 | Y14 I15 L20 N22 | Y14-L18 HydrophobicContact CD1-CD1 3.63Å; Y14-L18 HydrophobicContact CD1-CG 4.01Å; Y14-L18 HydrophobicContact CE1-CD1 3.99Å; Y14-L18 HydrophobicContact CE1-CG 4.2Å; Y14-L18 WeakPolarHBondContact O-CB 3.06Å; Y14-L18 WeakPolarHBondContact O-CD1 3.49Å; Y14-L18 WeakPolarHBondContact O-CG 3.45Å; Y14-L18 PolarHBondContact O-N 3.23Å; I15-L18 CarbonylContact O-C 3.58Å; I15-L18 PolarHBondContact O-N 2.8Å; L18-L20 VanDerWaalsContact C-N 3.26Å; L18-L20 PolarHBondContact O-N 3.48Å; L18-N22 HydrophobicContact CB-CB 4.43Å; L18-N22 HydrophobicContact CD2-CB 4.06Å; L18-N22 VanDerWaalsContact O-CA 3.31Å; L18-N22 WeakPolarHBondContact O-CA 3.37Å; L18-N22 WeakPolarHBondContact O-CB 3.48Å; L18-N22 PolarHBondContact O-N 2.7Å |
| 19 | I | 33 | Very low | 30.3 | Very low | 102 Ų | 102 | 110.3 Ų | 110.3 | 52% | 0.523 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -68.3 | -31.7 | 172.3 | -72.8 | 163.8 | 0 | 0 | 0 | 110.2 | I15 I16 N23 | I15-I19 HydrophobicContact CG2-CD1 3.66Å; I15-I19 HydrophobicContact CG2-CG1 4.31Å; I15-I19 VanDerWaalsContact O-CB 3.32Å; I15-I19 WeakPolarHBondContact O-CB 3.37Å; I15-I19 WeakPolarHBondContact O-CD1 3.25Å; I15-I19 WeakPolarHBondContact O-CG1 3.19Å; I15-I19 PolarHBondContact O-N 2.79Å; I16-I19 PolarHBondContact O-N 3.06Å; I19-N23 PolarHBondContact O-ND2 3.34Å |
| 20 | L | 30.6 | Very low | 30.3 | Very low | 120 Ų | 120 | 110.1 Ų | 110.1 | 63% | 0.628 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -82 | -41.9 | 175.2 | -69.8 | 167.5 | 0 | 0 | 0 | 113.4 | I16 L17 L18 | I16-L20 HydrophobicContact CG2-CD1 4.24Å; I16-L20 WeakPolarHBondContact O-CG 3.46Å; I16-L20 PolarHBondContact O-N 2.05Å; L17-L20 PolarHBondContact O-N 2.79Å; L18-L20 VanDerWaalsContact C-N 3.26Å; L18-L20 PolarHBondContact O-N 3.48Å |
| 21 | F | 29.8 | Very low | 30.4 | Very low | 154 Ų | 154 | 109.9 Ų | 109.9 | 68% | 0.675 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -94 | -21.7 | -176 | -79 | -75.3 | 0 | 0 | 0 | 115.2 | L17 | L17-F21 HydrophobicContact CD2-CD2 4.07Å; L17-F21 HydrophobicContact CD2-CE2 3.84Å; L17-F21 VanDerWaalsContact O-CB 3.31Å; L17-F21 WeakPolarHBondContact O-CB 3.2Å; L17-F21 WeakPolarHBondContact O-CD2 3.36Å; L17-F21 PolarHBondContact O-N 2.78Å |
| 22 | N | 24.2 | Very low | 30.9 | Very low | 102 Ų | 102 | 106.5 Ų | 106.5 | 55% | 0.545 | 56% | 0.56 | S | S | . | * | G | 310 helix | trans | -96.1 | 6.2 | -176.4 | -144.7 | 42.5 | 0 | 0 | 0 | 113.6 | L18 V24 | L18-N22 HydrophobicContact CB-CB 4.43Å; L18-N22 HydrophobicContact CD2-CB 4.06Å; L18-N22 VanDerWaalsContact O-CA 3.31Å; L18-N22 WeakPolarHBondContact O-CA 3.37Å; L18-N22 WeakPolarHBondContact O-CB 3.48Å; L18-N22 PolarHBondContact O-N 2.7Å; N22-V24 PolarHBondContact O-N 2.99Å |
| 23 | N | 25.6 | Very low | 31.7 | Very low | 137 Ų | 137 | 106.4 Ų | 106.4 | 73% | 0.733 | 56% | 0.558 | S | S | * | * | G | 310 helix | trans | -80.3 | 4.9 | 168.7 | -88.4 | -24.7 | 0 | 0 | 0 | 113.3 | I19 | I19-N23 PolarHBondContact O-ND2 3.34Š|
| 24 | V | 25.5 | Very low | 32.8 | Very low | 122 Ų | 122 | 102.4 Ų | 102.4 | 74% | 0.739 | 54% | 0.536 | S | S | * | . | G | 310 helix | trans | -95.8 | -3.7 | -173.4 | -179.6 | 0 | 0 | 0 | 0 | 113.7 | N22 | N22-V24 PolarHBondContact O-N 2.99Š|
| 25 | Q | 23.5 | Very low | 34 | Very low | 167 Ų | 167 | 95.2 Ų | 95.2 | 78% | 0.78 | 51% | 0.508 | S | S | * | . | S | Bend | trans | -130.3 | -1.3 | -171.4 | -88.6 | -161.3 | -26.9 | 0 | 0 | 119.6 | ||
| 26 | N | 22.9 | Very low | 35.1 | Very low | 121 Ų | 121 | 94.6 Ų | 94.6 | 65% | 0.647 | 50% | 0.504 | S | S | * | . | trans | -104.5 | 100.1 | 173.3 | -71.1 | -11.1 | 0 | 0 | 0 | 110.3 | L28 | N26-L28 HydrophobicContact CB-CD1 3.9Å; N26-L28 HydrophobicContact CB-CG 4.27Å; N26-L28 PolarHBondContact O-N 2.84Å | ||
| 27 | G | 22.5 | Very low | 36.3 | Very low | 58 Ų | 58 | 90.5 Ų | 90.5 | 60% | 0.598 | 48% | 0.482 | S | S | * | . | trans | -69.4 | 59.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | T29 | G27-T29 PolarHBondContact O-N 3.36Š| ||
| 28 | L | 24.1 | Very low | 37.4 | Very low | 85 Ų | 85 | 91.4 Ų | 91.4 | 45% | 0.445 | 49% | 0.486 | S | S | . | . | trans | -91.1 | 92.4 | -174.1 | -86.9 | 171.8 | 0 | 0 | 0 | 108.5 | N26 Q30 D319 T320 V321 | N26-L28 HydrophobicContact CB-CD1 3.9Å; N26-L28 HydrophobicContact CB-CG 4.27Å; N26-L28 PolarHBondContact O-N 2.84Å; L28-Q30 PolarHBondContact O-N 2.87Å; L28-D319 HydrophobicContact CD2-CB 3.6Å; L28-D319 HydrophobicContact CG-CB 4.22Å; L28-T320 WeakPolarHBondContact CD2-O 2.93Å; L28-V321 HydrophobicContact CB-CG2 3.34Å; L28-V321 HydrophobicContact CD2-CG2 3.66Å; L28-V321 HydrophobicContact CG-CG2 4.04Å; L28-V321 WeakPolarHBondContact O-CG2 3.02Å | ||
| 29 | T | 30 | Very low | 38.2 | Very low | 88 Ų | 88 | 91.1 Ų | 91.1 | 54% | 0.54 | 49% | 0.489 | S | S | . | . | B | Isolated β-bridge | trans | -57.1 | 86.1 | -170.6 | 43 | 0 | 0 | 0 | 0 | 118.5 | G27 L31 D319 V321 | G27-T29 PolarHBondContact O-N 3.36Å; T29-L31 PolarHBondContact O-N 3.22Å; T29-D319 PolarHBondContact OG1-O 3.42Å; T29-V321 WeakPolarHBondContact O-CB 3.41Å; T29-V321 WeakPolarHBondContact O-CG1 3.49Å; T29-V321 PolarHBondContact OG1-N 3.19Å |
| 30 | Q | 31.5 | Very low | 39 | Very low | 172 Ų | 172 | 94 Ų | 94 | 80% | 0.804 | 50% | 0.5 | S | S | * | . | trans | -53.2 | 134.3 | 173 | -82.9 | 179.5 | -64 | 0 | 0 | 112.2 | L28 N32 V321 | L28-Q30 PolarHBondContact O-N 2.87Å; Q30-N32 VanDerWaalsContact C-N 3.35Å; Q30-N32 PolarHBondContact O-N 2.9Å; Q30-V321 VanDerWaalsContact CA-CG1 3.46Å; Q30-V321 HydrophobicContact CG-CG1 4.29Å | ||
| 31 | L | 37.2 | Very low | 40 | Very low | 97 Ų | 97 | 89.7 Ų | 89.7 | 51% | 0.508 | 48% | 0.478 | S | S | . | . | trans | -66.5 | 97.7 | 170.6 | -130.3 | 164 | 0 | 0 | 0 | 107.2 | T29 L299 | T29-L31 PolarHBondContact O-N 3.22Å; L31-L299 HydrophobicContact CD1-CD2 4.41Å; L31-L299 HydrophobicContact CD2-CD2 4.22Å | ||
| 32 | N | 46.8 | Very low | 41.1 | Very low | 52 Ų | 52 | 90.3 Ų | 90.3 | 28% | 0.278 | 49% | 0.488 | S | S | . | . | trans | -65.4 | 127 | -170.7 | -153.9 | 3.9 | 0 | 0 | 0 | 109.1 | Q30 Y34 I215 | Q30-N32 VanDerWaalsContact C-N 3.35Å; Q30-N32 PolarHBondContact O-N 2.9Å; N32-Y34 PolarHBondContact O-N 3.1Å; N32-Y34 WeakPolarHBondContact OD1-CD2 3.35Å; N32-I215 WeakPolarHBondContact ND2-CG2 3.04Å | ||
| 33 | P | 50.5 | Low | 42.7 | Very low | 56 Ų | 56 | 90.2 Ų | 90.2 | 36% | 0.364 | 49% | 0.488 | S | S | . | . | S | Bend | trans | -66.5 | -23.3 | 178.2 | 26.5 | -35.5 | 0 | 0 | 0 | 112.4 | R156 L266 | P33-R156 PolarHBondContact O-NH1 3.33Å; P33-L266 HydrophobicContact CB-CD1 4.28Å; P33-L266 HydrophobicContact CB-CD2 4.33Å |
| 34 | Y | 59.5 | Low | 44.5 | Very low | 22 Ų | 22 | 84.6 Ų | 84.6 | 9% | 0.086 | 46% | 0.458 | C | S | . | . | S | Bend | trans | -67.5 | 151.4 | 174.2 | -52 | -65.5 | 0 | 0 | 0 | 112.3 | N32 Q213 Y214 I215 H267 | N32-Y34 PolarHBondContact O-N 3.1Å; N32-Y34 WeakPolarHBondContact OD1-CD2 3.35Å; Y34-Q213 HydrophobicContact CD1-CB 4.12Å; Y34-Q213 HydrophobicContact CD1-CG 4.09Å; Y34-Y214 PolarHBondContact OH-O 2.91Å; Y34-Y214 VanDerWaalsContact OH-O 3.06Å; Y34-I215 HydrophobicContact CD1-CG1 4.36Å; Y34-I215 HydrophobicContact CD2-CB 3.96Å; Y34-I215 HydrophobicContact CD2-CD1 4.44Å; Y34-I215 HydrophobicContact CD2-CG1 3.73Å; Y34-I215 HydrophobicContact CD2-CG2 3.75Å; Y34-I215 HydrophobicContact CE2-CB 4.3Å; Y34-I215 HydrophobicContact CE2-CG1 4.37Å; Y34-I215 HydrophobicContact CE2-CG2 4.25Å; Y34-I215 HydrophobicContact CG-CB 4.46Å; Y34-I215 HydrophobicContact CG-CD1 4.23Å; Y34-I215 HydrophobicContact CG-CG1 3.72Å; Y34-H267 WeakPolarHBondContact CE1-O 3.18Å; Y34-H267 PolarHBondContact OH-O 3.19Å |
| 35 | F | 60.5 | Low | 46.8 | Very low | 2 Ų | 2 | 82.3 Ų | 82.3 | 1% | 0.009 | 44% | 0.438 | C | S | . | . | trans | -86.1 | 115.7 | -173.3 | 179 | -79 | 0 | 0 | 0 | 109.4 | F37 Q153 I154 L157 I200 Q213 | F35-F37 HydrophobicContact CD1-CE2 4.28Å; F35-F37 AromaticContact CE1-CD2 3.88Å; F35-F37 HydrophobicContact CE1-CD2 3.88Å; F35-F37 HydrophobicContact CE1-CE1 4.4Å; F35-F37 AromaticContact CE1-CE2 3.18Å; F35-F37 HydrophobicContact CE1-CE2 3.18Å; F35-F37 AromaticContact CE1-CZ 3.44Å; F35-F37 HydrophobicContact CE1-CZ 3.44Å; F35-F37 VanDerWaalsContact CE1-CZ 3.44Å; F35-F37 HydrophobicContact CE2-CZ 4.48Å; F35-F37 HydrophobicContact CZ-CE1 4.26Å; F35-F37 AromaticContact CZ-CE2 3.6Å; F35-F37 HydrophobicContact CZ-CE2 3.6Å; F35-F37 AromaticContact CZ-CZ 3.32Å; F35-F37 HydrophobicContact CZ-CZ 3.32Å; F35-Q153 HydrophobicContact CD2-CB 3.51Å; F35-Q153 HydrophobicContact CD2-CG 4.25Å; F35-Q153 HydrophobicContact CE2-CB 3.6Å; F35-I154 HydrophobicContact CE2-CG1 3.9Å; F35-I154 HydrophobicContact CZ-CG1 3.83Å; F35-L157 HydrophobicContact CD1-CD1 4.42Å; F35-L157 HydrophobicContact CD2-CD1 3.38Å; F35-L157 HydrophobicContact CD2-CG 3.91Å; F35-L157 HydrophobicContact CE1-CD1 4.41Å; F35-L157 HydrophobicContact CE2-CD1 3.44Å; F35-L157 VanDerWaalsContact CE2-CD1 3.44Å; F35-L157 HydrophobicContact CE2-CG 4.12Å; F35-L157 HydrophobicContact CG-CD1 3.93Å; F35-L157 HydrophobicContact CZ-CD1 3.97Å; F35-I200 HydrophobicContact CB-CD1 3.72Å; F35-I200 HydrophobicContact CD1-CD1 3.44Å; F35-I200 VanDerWaalsContact CD1-CD1 3.44Å; F35-I200 HydrophobicContact CD1-CG1 4.18Å; F35-I200 HydrophobicContact CE1-CD1 4.08Å; F35-I200 HydrophobicContact CE1-CG1 4.5Å; F35-I200 HydrophobicContact CE1-CG2 4.48Å; F35-I200 HydrophobicContact CG-CD1 3.76Å; F35-Q213 VanDerWaalsContact CB-NE2 3.27Å; F35-Q213 VanDerWaalsContact N-NE2 3.15Å; F35-Q213 PolarHBondContact O-OE1 3.1Å | ||
| 36 | Q | 60.6 | Low | 49.6 | Very low | 77 Ų | 77 | 76.3 Ų | 76.3 | 36% | 0.36 | 41% | 0.413 | S | S | . | . | trans | -133.3 | 126.5 | -179.6 | -67.5 | -176 | -27.5 | 0 | 0 | 110.6 | I215 | Q36-I215 HydrophobicContact CG-CD1 4.42Š| ||
| 37 | F | 61.5 | Low | 52.6 | Low | 14 Ų | 14 | 74.2 Ų | 74.2 | 6% | 0.061 | 40% | 0.398 | C | S | . | . | trans | -79.1 | 121.8 | 172.6 | -79.1 | -62.5 | 0 | 0 | 0 | 111.1 | F35 L44 T136 I138 L146 E150 I154 H178 | F35-F37 HydrophobicContact CD1-CE2 4.28Å; F35-F37 AromaticContact CE1-CD2 3.88Å; F35-F37 HydrophobicContact CE1-CD2 3.88Å; F35-F37 HydrophobicContact CE1-CE1 4.4Å; F35-F37 AromaticContact CE1-CE2 3.18Å; F35-F37 HydrophobicContact CE1-CE2 3.18Å; F35-F37 AromaticContact CE1-CZ 3.44Å; F35-F37 HydrophobicContact CE1-CZ 3.44Å; F35-F37 VanDerWaalsContact CE1-CZ 3.44Å; F35-F37 HydrophobicContact CE2-CZ 4.48Å; F35-F37 HydrophobicContact CZ-CE1 4.26Å; F35-F37 AromaticContact CZ-CE2 3.6Å; F35-F37 HydrophobicContact CZ-CE2 3.6Å; F35-F37 AromaticContact CZ-CZ 3.32Å; F35-F37 HydrophobicContact CZ-CZ 3.32Å; F37-L44 HydrophobicContact CD1-CD1 4.13Å; F37-T136 HydrophobicContact CB-CG2 4.11Å; F37-T136 HydrophobicContact CD2-CG2 3.8Å; F37-T136 HydrophobicContact CG-CG2 4.02Å; F37-I138 HydrophobicContact CD1-CD1 3.9Å; F37-I138 HydrophobicContact CD2-CD1 3.87Å; F37-I138 HydrophobicContact CE1-CD1 3.29Å; F37-I138 HydrophobicContact CE2-CD1 3.21Å; F37-I138 HydrophobicContact CE2-CG1 4.33Å; F37-I138 HydrophobicContact CG-CD1 4.2Å; F37-I138 HydrophobicContact CZ-CD1 2.95Å; F37-I138 HydrophobicContact CZ-CG1 4.35Å; F37-L146 HydrophobicContact CE1-CD2 4.34Å; F37-E150 HydrophobicContact CD1-CB 4.24Å; F37-E150 HydrophobicContact CD1-CG 3.56Å; F37-E150 HydrophobicContact CE1-CB 3.83Å; F37-E150 HydrophobicContact CE1-CG 3.69Å; F37-I154 HydrophobicContact CE1-CD1 4.46Å; F37-I154 HydrophobicContact CZ-CD1 4.19Å; F37-I154 HydrophobicContact CZ-CG1 4.43Å; F37-H178 HydrophobicContact CD2-CB 4.06Å; F37-H178 AromaticContact CD2-ND1 3.73Å; F37-H178 HydrophobicContact CE2-CB 4.2Å | ||
| 38 | I | 53.7 | Low | 55.7 | Low | 97 Ų | 97 | 75.4 Ų | 75.4 | 50% | 0.497 | 39% | 0.39 | S | S | . | . | trans | -83.8 | 122.4 | 174.7 | -55.6 | 179.1 | 0 | 0 | 0 | 108.3 | Q40 | I38-Q40 HydrophobicContact CG2-CB 4.4Å; I38-Q40 HydrophobicContact CG2-CG 4.22Å; I38-Q40 PolarHBondContact O-N 2.89Å | ||
| 39 | P | 48.6 | Very low | 58.7 | Low | 69 Ų | 69 | 73.4 Ų | 73.4 | 45% | 0.448 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -70.6 | 9 | -172.2 | 27.9 | -37 | 0 | 0 | 0 | 116 | N41 | P39-N41 PolarHBondContact O-N 2.04Š|
| 40 | Q | 50.1 | Low | 61.4 | Low | 163 Ų | 163 | 70.1 Ų | 70.1 | 76% | 0.762 | 36% | 0.356 | S | S | * | . | trans | -75.4 | 13.3 | -178.3 | -71.3 | -168.2 | -12.6 | 0 | 0 | 114.2 | I38 | I38-Q40 HydrophobicContact CG2-CB 4.4Å; I38-Q40 HydrophobicContact CG2-CG 4.22Å; I38-Q40 PolarHBondContact O-N 2.89Å | ||
| 41 | N | 51.1 | Low | 63.7 | Low | 28 Ų | 28 | 62.6 Ų | 62.6 | 15% | 0.15 | 32% | 0.321 | C | S | . | . | trans | -119.9 | 103.1 | 179.6 | -163.9 | 10.2 | 0 | 0 | 0 | 110.1 | P39 N43 L44 K145 | P39-N41 PolarHBondContact O-N 2.04Å; N41-N43 PolarHBondContact O-N 2.94Å; N41-N43 PolarHBondContact OD1-ND2 3.04Å; N41-L44 HydrophobicContact CB-CD1 4.14Å; N41-L44 HydrophobicContact CB-CG 4.34Å; N41-L44 PolarHBondContact O-N 3.32Å; N41-K145 PolarHBondContact ND2-O 2.99Å | ||
| 42 | D | 54.1 | Low | 65.6 | Low | 167 Ų | 167 | 62.2 Ų | 62.2 | 89% | 0.893 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -9.2 | 177.9 | -61.2 | -34.9 | 0 | 0 | 0 | 114.1 | ||
| 43 | N | 57.3 | Low | 67 | Low | 101 Ų | 101 | 68 Ų | 68 | 54% | 0.54 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -9.5 | 178 | -59.5 | -70.3 | 0 | 0 | 0 | 114.3 | N41 | N41-N43 PolarHBondContact O-N 2.94Å; N41-N43 PolarHBondContact OD1-ND2 3.04Å |
| 44 | L | 63.9 | Low | 68.1 | Low | 19 Ų | 19 | 68.4 Ų | 68.4 | 10% | 0.099 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -94.3 | 128.1 | -179.7 | -67 | 171.8 | 0 | 0 | 0 | 110.7 | F37 N41 T46 T136 I138 L146 | F37-L44 HydrophobicContact CD1-CD1 4.13Å; N41-L44 HydrophobicContact CB-CD1 4.14Å; N41-L44 HydrophobicContact CB-CG 4.34Å; N41-L44 PolarHBondContact O-N 3.32Å; L44-T46 VanDerWaalsContact C-N 3.31Å; L44-T46 PolarHBondContact O-N 2.83Å; L44-T136 HydrophobicContact CB-CG2 4.4Å; L44-I138 HydrophobicContact CD2-CD1 3.48Å; L44-I138 VanDerWaalsContact CD2-CD1 3.48Å; L44-I138 HydrophobicContact CD2-CG1 3.64Å; L44-I138 HydrophobicContact CD2-CG2 4.44Å; L44-L146 HydrophobicContact CD2-CD2 4.03Å |
| 45 | H | 74.3 | Confident | 69 | Low | 73 Ų | 73 | 69.3 Ų | 69.3 | 34% | 0.338 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 85.1 | 174.4 | -176 | -114.6 | 0 | 0 | 0 | 109.5 | Y62 E137 | H45-Y62 PolarHBondContact CE1-OH 2.84Å; H45-Y62 VanDerWaalsContact CE1-OH 3.31Å; H45-Y62 PolarHBondContact ND1-OH 3.5Å; H45-E137 HydrophobicContact CB-CB 4.25Å; H45-E137 IonicContact CE1-OE1 2.67Å; H45-E137 PolarHBondContact CE1-OE1 3.2Å; H45-E137 VanDerWaalsContact CE1-OE1 3.28Å; H45-E137 PolarHBondContact N-O 3.36Å; H45-E137 IonicContact ND1-OE1 3.32Å; H45-E137 PolarHBondContact ND1-OE1 3.47Å; H45-E137 PolarHBondContact O-N 2.86Å |
| 46 | T | 81 | Confident | 69.7 | Low | 41 Ų | 41 | 75.3 Ų | 75.3 | 25% | 0.252 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 127.3 | 179.5 | -53.9 | 0 | 0 | 0 | 0 | 110.4 | L44 I48 V135 T136 | L44-T46 VanDerWaalsContact C-N 3.31Å; L44-T46 PolarHBondContact O-N 2.83Å; T46-I48 HydrophobicContact CG2-CG1 4.08Å; T46-V135 CarbonylContact C-O 3.5Å; T46-V135 WeakPolarHBondContact CA-O 3.34Å; T46-T136 WeakPolarHBondContact OG1-CG2 3.4Å |
| 47 | K | 86 | Confident | 70.7 | Confident | 77 Ų | 77 | 76.6 Ų | 76.6 | 34% | 0.335 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 140.3 | 163.4 | -57.5 | -174.5 | -168.8 | 144.2 | 0 | 109.4 | Y49 Y62 V135 | K47-Y49 HydrophobicContact CB-CE2 3.74Å; K47-Y62 HydrophobicContact CB-CE2 4.05Å; K47-Y62 HydrophobicContact CD-CD2 4.5Å; K47-Y62 HydrophobicContact CD-CE2 3.67Å; K47-Y62 HydrophobicContact CG-CE2 4.05Å; K47-V135 PolarHBondContact N-O 2.94Å; K47-V135 PolarHBondContact O-N 2.03Å |
| 48 | I | 87.2 | Confident | 71.6 | Confident | 84 Ų | 84 | 80.1 Ų | 80.1 | 43% | 0.431 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 129.1 | -179.9 | -55.7 | 175.1 | 0 | 0 | 0 | 107.2 | T46 D50 R134 | T46-I48 HydrophobicContact CG2-CG1 4.08Å; I48-D50 HydrophobicContact CG2-CB 4.47Å; I48-R134 HydrophobicContact CG1-CG 4.34Å; I48-R134 HydrophobicContact CG2-CG 4.3Å |
| 49 | Y | 88.1 | Confident | 73.1 | Confident | 42 Ų | 42 | 77.8 Ų | 77.8 | 17% | 0.165 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 98.4 | 177.7 | -60.4 | -93.7 | 0 | 0 | 0 | 106.5 | K47 F55 F60 Y62 R132 I133 V135 | K47-Y49 HydrophobicContact CB-CE2 3.74Å; Y49-F55 HydrophobicContact CD1-CD2 4.24Å; Y49-F55 HydrophobicContact CD1-CE1 4.14Å; Y49-F55 AromaticContact CD1-CE2 3.71Å; Y49-F55 HydrophobicContact CD1-CE2 3.71Å; Y49-F55 AromaticContact CD1-CZ 3.64Å; Y49-F55 HydrophobicContact CD1-CZ 3.64Å; Y49-F55 HydrophobicContact CE1-CE2 4.41Å; Y49-F55 HydrophobicContact CE1-CZ 4.42Å; Y49-F55 HydrophobicContact CG-CE1 4.45Å; Y49-F55 HydrophobicContact CG-CZ 4.37Å; Y49-F60 HydrophobicContact CD1-CD1 4.31Å; Y49-F60 HydrophobicContact CD1-CD2 4.14Å; Y49-F60 HydrophobicContact CD1-CE1 4.18Å; Y49-F60 HydrophobicContact CD1-CE2 4.01Å; Y49-F60 HydrophobicContact CD1-CG 4.28Å; Y49-F60 HydrophobicContact CD1-CZ 4.03Å; Y49-F60 HydrophobicContact CD2-CD2 4.45Å; Y49-F60 HydrophobicContact CD2-CE1 4.25Å; Y49-F60 AromaticContact CD2-CE2 3.57Å; Y49-F60 HydrophobicContact CD2-CE2 3.57Å; Y49-F60 AromaticContact CD2-CZ 3.44Å; Y49-F60 HydrophobicContact CD2-CZ 3.44Å; Y49-F60 VanDerWaalsContact CD2-CZ 3.44Å; Y49-F60 AromaticContact CE1-CD2 3.71Å; Y49-F60 HydrophobicContact CE1-CD2 3.71Å; Y49-F60 AromaticContact CE1-CE2 3.79Å; Y49-F60 HydrophobicContact CE1-CE2 3.79Å; Y49-F60 HydrophobicContact CE1-CG 4.16Å; Y49-F60 HydrophobicContact CE1-CZ 4.29Å; Y49-F60 HydrophobicContact CE2-CD2 4.08Å; Y49-F60 AromaticContact CE2-CE2 3.34Å; Y49-F60 HydrophobicContact CE2-CE2 3.34Å; Y49-F60 AromaticContact CE2-CZ 3.76Å; Y49-F60 HydrophobicContact CE2-CZ 3.76Å; Y49-F60 HydrophobicContact CG-CD2 4.48Å; Y49-F60 AromaticContact CG-CE1 3.93Å; Y49-F60 HydrophobicContact CG-CE1 3.93Å; Y49-F60 AromaticContact CG-CE2 3.9Å; Y49-F60 HydrophobicContact CG-CE2 3.9Å; Y49-F60 AromaticContact CG-CZ 3.59Å; Y49-F60 HydrophobicContact CG-CZ 3.59Å; Y49-F60 AromaticContact CZ-CD2 3.67Å; Y49-F60 AromaticContact CZ-CE2 3.44Å; Y49-F60 VanDerWaalsContact CZ-CE2 3.44Å; Y49-Y62 HydrophobicContact CE2-CD2 4.14Å; Y49-Y62 HydrophobicContact CE2-CE2 4.37Å; Y49-R132 WeakPolarHBondContact O-CA 3.4Å; Y49-I133 PolarHBondContact N-O 2.91Å; Y49-I133 PolarHBondContact O-N 2.05Å; Y49-V135 HydrophobicContact CE2-CG2 4.3Å |
| 50 | D | 85.9 | Confident | 75 | Confident | 20 Ų | 20 | 75 Ų | 75 | 11% | 0.107 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 108.6 | -171.4 | -165.6 | -31.7 | 0 | 0 | 0 | 110.5 | I48 S52 E53 F55 R132 | I48-D50 HydrophobicContact CG2-CB 4.47Å; D50-S52 PolarHBondContact O-N 2.72Å; D50-S52 WeakPolarHBondContact OD1-CA 3.06Å; D50-S52 WeakPolarHBondContact OD1-CB 3.4Å; D50-S52 PolarHBondContact OD1-N 3.21Å; D50-S52 PolarHBondContact OD1-OG 3.41Å; D50-E53 HydrophobicContact CB-CB 4.21Å; D50-E53 HydrophobicContact CB-CG 4.2Å; D50-E53 PolarHBondContact O-N 3.4Å; D50-E53 VanDerWaalsContact O-N 3.17Å; D50-F55 VanDerWaalsContact O-CB 3.3Å; D50-F55 WeakPolarHBondContact O-CB 3.23Å; D50-F55 PolarHBondContact O-N 3.26Å; D50-R132 HydrophobicContact CB-CG 4.23Å; D50-R132 VanDerWaalsContact CG-CD 3.47Å; D50-R132 WeakPolarHBondContact OD2-CD 3.07Å; D50-R132 IonicContact OD2-NH1 3.44Å |
| 51 | Y | 81 | Confident | 76.7 | Confident | 14 Ų | 14 | 71.3 Ų | 71.3 | 6% | 0.055 | 39% | 0.39 | C | S | . | . | G | 310 helix | trans | -66.8 | -19.9 | 179.4 | -69.7 | -91.1 | 0 | 0 | 0 | 112.2 | F55 E57 K82 G131 I133 M184 | Y51-F55 WeakPolarHBondContact CA-O 3.33Å; Y51-F55 HydrophobicContact CD1-CD1 4.08Å; Y51-F55 WeakPolarHBondContact CD1-O 3.37Å; Y51-F55 HydrophobicContact CD2-CD1 4.36Å; Y51-F55 AromaticContact CE1-CD1 3.7Å; Y51-F55 HydrophobicContact CE1-CD1 3.7Å; Y51-F55 HydrophobicContact CE1-CE1 4.08Å; Y51-F55 HydrophobicContact CE2-CD1 4.01Å; Y51-F55 HydrophobicContact CE2-CE1 4.32Å; Y51-F55 HydrophobicContact CG-CD1 4.38Å; Y51-F55 AromaticContact CZ-CD1 3.65Å; Y51-F55 AromaticContact CZ-CE1 3.76Å; Y51-E57 VanDerWaalsContact CE1-O 3.28Å; Y51-E57 WeakPolarHBondContact CE1-O 3.28Å; Y51-E57 PolarHBondContact OH-O 3.15Å; Y51-K82 HydrophobicContact CE1-CD 3.89Å; Y51-K82 HydrophobicContact CE1-CG 4.2Å; Y51-K82 HydrophobicContact CE2-CG 4.18Å; Y51-G131 WeakPolarHBondContact CB-O 3.46Å; Y51-G131 WeakPolarHBondContact CD2-O 3.46Å; Y51-G131 PolarHBondContact N-O 2.98Å; Y51-I133 HydrophobicContact CE2-CD1 4.06Å; Y51-I133 HydrophobicContact CE2-CG1 4.25Å; Y51-M184 HydrophobicContact CD2-CE 4.11Å; Y51-M184 HydrophobicContact CE2-CE 3.87Å |
| 52 | S | 76.4 | Confident | 78.6 | Confident | 89 Ų | 89 | 70 Ų | 70 | 62% | 0.622 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -81.2 | -19.9 | 175.5 | 75.1 | 0 | 0 | 0 | 0 | 113.9 | D50 | D50-S52 PolarHBondContact O-N 2.72Å; D50-S52 WeakPolarHBondContact OD1-CA 3.06Å; D50-S52 WeakPolarHBondContact OD1-CB 3.4Å; D50-S52 PolarHBondContact OD1-N 3.21Å; D50-S52 PolarHBondContact OD1-OG 3.41Å |
| 53 | E | 76.9 | Confident | 80.3 | Confident | 173 Ų | 173 | 67.4 Ų | 67.4 | 81% | 0.808 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | -93.3 | 7.7 | 174.4 | -62.2 | -162.5 | 151.5 | 0 | 0 | 113.4 | D50 | D50-E53 HydrophobicContact CB-CB 4.21Å; D50-E53 HydrophobicContact CB-CG 4.2Å; D50-E53 PolarHBondContact O-N 3.4Å; D50-E53 VanDerWaalsContact O-N 3.17Å |
| 54 | G | 73.7 | Confident | 81.8 | Confident | 64 Ų | 64 | 63.3 Ų | 63.3 | 66% | 0.66 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 101.4 | 14.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 55 | F | 77.1 | Confident | 82.7 | Confident | 42 Ų | 42 | 66.9 Ų | 66.9 | 18% | 0.184 | 36% | 0.359 | C | S | . | . | trans | -70.9 | 122.6 | 163.3 | -171.1 | -106.8 | 0 | 0 | 0 | 109.3 | Y49 D50 Y51 E57 F60 | Y49-F55 HydrophobicContact CD1-CD2 4.24Å; Y49-F55 HydrophobicContact CD1-CE1 4.14Å; Y49-F55 AromaticContact CD1-CE2 3.71Å; Y49-F55 HydrophobicContact CD1-CE2 3.71Å; Y49-F55 AromaticContact CD1-CZ 3.64Å; Y49-F55 HydrophobicContact CD1-CZ 3.64Å; Y49-F55 HydrophobicContact CE1-CE2 4.41Å; Y49-F55 HydrophobicContact CE1-CZ 4.42Å; Y49-F55 HydrophobicContact CG-CE1 4.45Å; Y49-F55 HydrophobicContact CG-CZ 4.37Å; D50-F55 VanDerWaalsContact O-CB 3.3Å; D50-F55 WeakPolarHBondContact O-CB 3.23Å; D50-F55 PolarHBondContact O-N 3.26Å; Y51-F55 WeakPolarHBondContact CA-O 3.33Å; Y51-F55 HydrophobicContact CD1-CD1 4.08Å; Y51-F55 WeakPolarHBondContact CD1-O 3.37Å; Y51-F55 HydrophobicContact CD2-CD1 4.36Å; Y51-F55 AromaticContact CE1-CD1 3.7Å; Y51-F55 HydrophobicContact CE1-CD1 3.7Å; Y51-F55 HydrophobicContact CE1-CE1 4.08Å; Y51-F55 HydrophobicContact CE2-CD1 4.01Å; Y51-F55 HydrophobicContact CE2-CE1 4.32Å; Y51-F55 HydrophobicContact CG-CD1 4.38Å; Y51-F55 AromaticContact CZ-CD1 3.65Å; Y51-F55 AromaticContact CZ-CE1 3.76Å; F55-E57 HydrophobicContact CE1-CB 4.02Å; F55-E57 HydrophobicContact CE2-CB 4.12Å; F55-E57 HydrophobicContact CE2-CG 4.05Å; F55-E57 HydrophobicContact CZ-CB 3.65Å; F55-E57 HydrophobicContact CZ-CG 4.09Å; F55-F60 AromaticContact CE1-CD1 3.67Å; F55-F60 HydrophobicContact CE1-CD1 3.67Å; F55-F60 AromaticContact CE1-CE1 3.96Å; F55-F60 HydrophobicContact CE1-CE1 3.96Å; F55-F60 HydrophobicContact CZ-CB 4.12Å; F55-F60 AromaticContact CZ-CD1 3.48Å; F55-F60 HydrophobicContact CZ-CD1 3.48Å; F55-F60 VanDerWaalsContact CZ-CD1 3.48Å; F55-F60 HydrophobicContact CZ-CE1 4.12Å; F55-F60 AromaticContact CZ-CG 3.97Å; F55-F60 HydrophobicContact CZ-CG 3.97Å | ||
| 56 | D | 74.8 | Confident | 83.1 | Confident | 128 Ų | 128 | 68.1 Ų | 68.1 | 68% | 0.684 | 36% | 0.361 | S | S | * | . | trans | -129.6 | 25 | -171.7 | -155 | 26.7 | 0 | 0 | 0 | 112 | ||||
| 57 | E | 81.3 | Confident | 83.2 | Confident | 104 Ų | 104 | 68.8 Ų | 68.8 | 49% | 0.486 | 37% | 0.367 | S | S | . | . | trans | -95.8 | 122.7 | 177.7 | -58.4 | -180 | 171.4 | 0 | 0 | 110.8 | Y51 F55 S59 | Y51-E57 VanDerWaalsContact CE1-O 3.28Å; Y51-E57 WeakPolarHBondContact CE1-O 3.28Å; Y51-E57 PolarHBondContact OH-O 3.15Å; F55-E57 HydrophobicContact CE1-CB 4.02Å; F55-E57 HydrophobicContact CE2-CB 4.12Å; F55-E57 HydrophobicContact CE2-CG 4.05Å; F55-E57 HydrophobicContact CZ-CB 3.65Å; F55-E57 HydrophobicContact CZ-CG 4.09Å; E57-S59 PolarHBondContact O-N 3.12Å | ||
| 58 | D | 80.4 | Confident | 83.1 | Confident | 88 Ų | 88 | 65.3 Ų | 65.3 | 47% | 0.471 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -70.3 | -14.4 | 176.2 | -72.2 | -41.3 | 0 | 0 | 0 | 113.4 | R81 K82 | D58-R81 WeakPolarHBondContact O-CA 3.03Å; D58-K82 WeakPolarHBondContact O-CB 3.04Å; D58-K82 PolarHBondContact O-N 3.42Å; D58-K82 VanDerWaalsContact OD1-CD 3.32Å; D58-K82 WeakPolarHBondContact OD1-CD 3.44Å; D58-K82 IonicContact OD1-NZ 2.9Å |
| 59 | S | 85.9 | Confident | 82.9 | Confident | 47 Ų | 47 | 61.9 Ų | 61.9 | 33% | 0.329 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.1 | 143 | 172.3 | 58.9 | 0 | 0 | 0 | 0 | 111.7 | E57 I80 | E57-S59 PolarHBondContact O-N 3.12Å; S59-I80 VanDerWaalsContact CA-O 3.27Å; S59-I80 WeakPolarHBondContact CA-O 3.26Å |
| 60 | F | 88.5 | Confident | 82.5 | Confident | 12 Ų | 12 | 60 Ų | 60 | 5% | 0.053 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 142.9 | 177.1 | 56.6 | -87.1 | 0 | 0 | 0 | 111 | Y49 F55 Y62 I80 I133 | Y49-F60 HydrophobicContact CD1-CD1 4.31Å; Y49-F60 HydrophobicContact CD1-CD2 4.14Å; Y49-F60 HydrophobicContact CD1-CE1 4.18Å; Y49-F60 HydrophobicContact CD1-CE2 4.01Å; Y49-F60 HydrophobicContact CD1-CG 4.28Å; Y49-F60 HydrophobicContact CD1-CZ 4.03Å; Y49-F60 HydrophobicContact CD2-CD2 4.45Å; Y49-F60 HydrophobicContact CD2-CE1 4.25Å; Y49-F60 AromaticContact CD2-CE2 3.57Å; Y49-F60 HydrophobicContact CD2-CE2 3.57Å; Y49-F60 AromaticContact CD2-CZ 3.44Å; Y49-F60 HydrophobicContact CD2-CZ 3.44Å; Y49-F60 VanDerWaalsContact CD2-CZ 3.44Å; Y49-F60 AromaticContact CE1-CD2 3.71Å; Y49-F60 HydrophobicContact CE1-CD2 3.71Å; Y49-F60 AromaticContact CE1-CE2 3.79Å; Y49-F60 HydrophobicContact CE1-CE2 3.79Å; Y49-F60 HydrophobicContact CE1-CG 4.16Å; Y49-F60 HydrophobicContact CE1-CZ 4.29Å; Y49-F60 HydrophobicContact CE2-CD2 4.08Å; Y49-F60 AromaticContact CE2-CE2 3.34Å; Y49-F60 HydrophobicContact CE2-CE2 3.34Å; Y49-F60 AromaticContact CE2-CZ 3.76Å; Y49-F60 HydrophobicContact CE2-CZ 3.76Å; Y49-F60 HydrophobicContact CG-CD2 4.48Å; Y49-F60 AromaticContact CG-CE1 3.93Å; Y49-F60 HydrophobicContact CG-CE1 3.93Å; Y49-F60 AromaticContact CG-CE2 3.9Å; Y49-F60 HydrophobicContact CG-CE2 3.9Å; Y49-F60 AromaticContact CG-CZ 3.59Å; Y49-F60 HydrophobicContact CG-CZ 3.59Å; Y49-F60 AromaticContact CZ-CD2 3.67Å; Y49-F60 AromaticContact CZ-CE2 3.44Å; Y49-F60 VanDerWaalsContact CZ-CE2 3.44Å; F55-F60 AromaticContact CE1-CD1 3.67Å; F55-F60 HydrophobicContact CE1-CD1 3.67Å; F55-F60 AromaticContact CE1-CE1 3.96Å; F55-F60 HydrophobicContact CE1-CE1 3.96Å; F55-F60 HydrophobicContact CZ-CB 4.12Å; F55-F60 AromaticContact CZ-CD1 3.48Å; F55-F60 HydrophobicContact CZ-CD1 3.48Å; F55-F60 VanDerWaalsContact CZ-CD1 3.48Å; F55-F60 HydrophobicContact CZ-CE1 4.12Å; F55-F60 AromaticContact CZ-CG 3.97Å; F55-F60 HydrophobicContact CZ-CG 3.97Å; F60-Y62 HydrophobicContact CE2-CD2 4.49Å; F60-Y62 PolarHBondContact O-N 2.81Å; F60-I80 HydrophobicContact CD2-CB 4.43Å; F60-I80 HydrophobicContact CE1-CB 4.38Å; F60-I80 HydrophobicContact CE1-CG2 4.42Å; F60-I80 HydrophobicContact CE2-CB 3.95Å; F60-I80 HydrophobicContact CE2-CD1 3.95Å; F60-I80 HydrophobicContact CE2-CG1 4.31Å; F60-I80 HydrophobicContact CE2-CG2 4.47Å; F60-I80 HydrophobicContact CZ-CB 3.93Å; F60-I80 HydrophobicContact CZ-CD1 4.35Å; F60-I80 HydrophobicContact CZ-CG2 4Å; F60-I80 PolarHBondContact N-O 3.31Å; F60-I80 PolarHBondContact O-N 3.2Å; F60-I133 HydrophobicContact CE1-CB 4.39Å; F60-I133 HydrophobicContact CE1-CD1 4.08Å; F60-I133 HydrophobicContact CE1-CG2 4.42Å; F60-I133 HydrophobicContact CZ-CB 4.18Å; F60-I133 HydrophobicContact CZ-CG2 3.84Å |
| 61 | T | 86.8 | Confident | 81.7 | Confident | 85 Ų | 85 | 60.2 Ų | 60.2 | 52% | 0.521 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 113.6 | 176.1 | -53.2 | 0 | 0 | 0 | 0 | 110.4 | K77 T79 | T61-K77 HydrophobicContact CG2-CB 3.79Å; T61-K77 HydrophobicContact CG2-CD 4.17Å; T61-K77 HydrophobicContact CG2-CG 4.45Å; T61-T79 PolarHBondContact OG1-OG1 2.86Å |
| 62 | Y | 91.2 | Very high | 80.8 | Confident | 1 Ų | 1 | 63.2 Ų | 63.2 | 0% | 0.004 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 123.2 | 173.5 | -167.7 | -75.6 | 0 | 0 | 0 | 109.9 | H45 K47 Y49 F60 L64 K77 I78 I80 V135 E137 | H45-Y62 PolarHBondContact CE1-OH 2.84Å; H45-Y62 VanDerWaalsContact CE1-OH 3.31Å; H45-Y62 PolarHBondContact ND1-OH 3.5Å; K47-Y62 HydrophobicContact CB-CE2 4.05Å; K47-Y62 HydrophobicContact CD-CD2 4.5Å; K47-Y62 HydrophobicContact CD-CE2 3.67Å; K47-Y62 HydrophobicContact CG-CE2 4.05Å; Y49-Y62 HydrophobicContact CE2-CD2 4.14Å; Y49-Y62 HydrophobicContact CE2-CE2 4.37Å; F60-Y62 HydrophobicContact CE2-CD2 4.49Å; F60-Y62 PolarHBondContact O-N 2.81Å; Y62-L64 HydrophobicContact CD1-CD2 3.91Å; Y62-L64 HydrophobicContact CE1-CD2 4.12Å; Y62-K77 CarbonylContact O-C 3.52Å; Y62-K77 VanDerWaalsContact O-CA 3.27Å; Y62-K77 WeakPolarHBondContact O-CA 3.15Å; Y62-I78 PolarHBondContact N-O 3.35Å; Y62-I78 PolarHBondContact O-N 3.04Å; Y62-I80 HydrophobicContact CD2-CD1 4.44Å; Y62-I80 HydrophobicContact CG-CD1 4.21Å; Y62-V135 HydrophobicContact CD1-CG1 4.14Å; Y62-V135 HydrophobicContact CD2-CB 3.83Å; Y62-V135 HydrophobicContact CD2-CG1 3.82Å; Y62-V135 HydrophobicContact CD2-CG2 3.75Å; Y62-V135 HydrophobicContact CE1-CG1 3.88Å; Y62-V135 HydrophobicContact CE2-CB 3.46Å; Y62-V135 VanDerWaalsContact CE2-CB 3.46Å; Y62-V135 HydrophobicContact CE2-CG1 3.47Å; Y62-V135 VanDerWaalsContact CE2-CG1 3.47Å; Y62-V135 HydrophobicContact CE2-CG2 3.91Å; Y62-V135 HydrophobicContact CG-CG1 4.13Å; Y62-V135 HydrophobicContact CG-CG2 4.44Å; Y62-E137 VanDerWaalsContact CE1-CD 3.46Å; Y62-E137 HydrophobicContact CE1-CG 4.16Å; Y62-E137 WeakPolarHBondContact CE1-OE1 3.46Å; Y62-E137 PolarHBondContact OH-OE1 3.22Å |
| 63 | E | 88.8 | Confident | 80.5 | Confident | 112 Ų | 112 | 60 Ų | 60 | 52% | 0.523 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 120.1 | 173 | -178.2 | 156.4 | -145.1 | 0 | 0 | 109.9 | K77 | E63-K77 HydrophobicContact CB-CD 4.49Å; E63-K77 HydrophobicContact CB-CG 4.2Å; E63-K77 HydrophobicContact CG-CG 4.21Å; E63-K77 WeakPolarHBondContact OE1-CE 3.32Å; E63-K77 IonicContact OE1-NZ 3.22Å; E63-K77 PolarHBondContact OE1-NZ 2.85Å; E63-K77 IonicContact OE2-NZ 3.76Å; E63-K77 PolarHBondContact OE2-NZ 2.03Å |
| 64 | L | 88.9 | Confident | 80.6 | Confident | 14 Ų | 14 | 56.9 Ų | 56.9 | 7% | 0.073 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 139.1 | -174.1 | -63.8 | 173.3 | 0 | 0 | 0 | 110.8 | Y62 Y66 I68 I75 K76 I78 E137 V177 | Y62-L64 HydrophobicContact CD1-CD2 3.91Å; Y62-L64 HydrophobicContact CE1-CD2 4.12Å; L64-Y66 WeakPolarHBondContact CB-O 3.38Å; L64-Y66 PolarHBondContact O-N 3.5Å; L64-I68 HydrophobicContact CD1-CB 4.45Å; L64-I68 HydrophobicContact CD1-CD1 4.21Å; L64-I68 HydrophobicContact CD1-CG1 4.18Å; L64-I75 WeakPolarHBondContact CD1-O 3.04Å; L64-K76 PolarHBondContact N-O 3.44Å; L64-I78 HydrophobicContact CD1-CG2 4.45Å; L64-I78 HydrophobicContact CD2-CD1 4.04Å; L64-I78 HydrophobicContact CD2-CG1 4.3Å; L64-E137 WeakPolarHBondContact CA-OE2 3.31Å; L64-E137 VanDerWaalsContact CD2-OE2 3.24Å; L64-E137 WeakPolarHBondContact CD2-OE2 3.43Å; L64-V177 HydrophobicContact CD2-CG1 4.15Å; L64-V177 HydrophobicContact CD2-CG2 3.86Å |
| 65 | Q | 82.5 | Confident | 81.3 | Confident | 95 Ų | 95 | 54.3 Ų | 54.3 | 44% | 0.444 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | -35.4 | 178 | -171.8 | -176.4 | -16.5 | 0 | 0 | 111.9 | E137 Y175 | Q65-E137 PolarHBondContact N-OE1 3.42Å; Q65-E137 PolarHBondContact N-OE2 2.77Å; Q65-Y175 WeakPolarHBondContact CB-OH 3.4Å; Q65-Y175 PolarHBondContact N-OH 2.87Å |
| 66 | Y | 83 | Confident | 81.7 | Confident | 98 Ų | 98 | 58.4 Ų | 58.4 | 38% | 0.384 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 137.1 | 171 | -59.7 | -87 | 0 | 0 | 0 | 110.4 | L64 D139 Y175 | L64-Y66 WeakPolarHBondContact CB-O 3.38Å; L64-Y66 PolarHBondContact O-N 3.5Å; Y66-D139 HydrophobicContact CE2-CB 4.01Å; Y66-D139 PolarHBondContact OH-OD2 3.35Å; Y66-D139 VanDerWaalsContact OH-OD2 3.1Å; Y66-Y175 AromaticContact CD2-CD2 3.78Å; Y66-Y175 HydrophobicContact CD2-CD2 3.78Å; Y66-Y175 AromaticContact CD2-CE2 3.48Å; Y66-Y175 HydrophobicContact CD2-CE2 3.48Å; Y66-Y175 VanDerWaalsContact CD2-CE2 3.48Å; Y66-Y175 AromaticContact CD2-CZ 3.93Å; Y66-Y175 HydrophobicContact CE2-CE2 4.27Å; Y66-Y175 HydrophobicContact CG-CD2 4.49Å; Y66-Y175 HydrophobicContact CG-CE2 4.39Å; Y66-Y175 PolarHBondContact N-OH 2.85Å; Y66-Y175 WeakPolarHBondContact O-CE1 3.25Å |
| 67 | P | 83.9 | Confident | 82.3 | Confident | 56 Ų | 56 | 56.8 Ų | 56.8 | 36% | 0.364 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 136.7 | 176.3 | -22.8 | 34.5 | 0 | 0 | 0 | 112.3 | L74 I75 K76 | P67-L74 HydrophobicContact CB-CB 4.17Å; P67-L74 HydrophobicContact CB-CD2 4.25Å; P67-I75 CarbonylContact C-O 3.47Å; P67-I75 VanDerWaalsContact CA-O 3.31Å; P67-I75 WeakPolarHBondContact CA-O 3.43Å; P67-K76 HydrophobicContact CB-CG 3.98Å; P67-K76 HydrophobicContact CG-CD 4.31Å; P67-K76 HydrophobicContact CG-CG 3.92Å |
| 68 | I | 84.1 | Confident | 82.8 | Confident | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.015 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 127.6 | 178.8 | -66.4 | -176.6 | 0 | 0 | 0 | 110.2 | L64 I70 I75 Y175 V177 I201 S208 | L64-I68 HydrophobicContact CD1-CB 4.45Å; L64-I68 HydrophobicContact CD1-CD1 4.21Å; L64-I68 HydrophobicContact CD1-CG1 4.18Å; I68-I70 HydrophobicContact CG2-CD1 4.26Å; I68-I70 HydrophobicContact CG2-CG1 3.91Å; I68-I70 PolarHBondContact O-N 3.4Å; I68-I75 PolarHBondContact N-O 2.86Å; I68-I75 WeakPolarHBondContact O-CB 3.43Å; I68-I75 PolarHBondContact O-N 2.03Å; I68-Y175 HydrophobicContact CD1-CD1 3.82Å; I68-Y175 HydrophobicContact CD1-CE1 3.92Å; I68-Y175 HydrophobicContact CG1-CD1 3.79Å; I68-Y175 HydrophobicContact CG1-CE1 4.01Å; I68-V177 HydrophobicContact CD1-CB 4.04Å; I68-V177 HydrophobicContact CD1-CG2 3.45Å; I68-V177 VanDerWaalsContact CD1-CG2 3.45Å; I68-I201 HydrophobicContact CD1-CB 4.49Å; I68-I201 HydrophobicContact CD1-CG2 4.08Å; I68-I201 HydrophobicContact CG2-CG2 3.9Å; I68-S208 WeakPolarHBondContact CG2-OG 3.03Å |
| 69 | P | 81.9 | Confident | 83.3 | Confident | 12 Ų | 12 | 48.6 Ų | 48.6 | 8% | 0.078 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 120.3 | 171.7 | 28.5 | -31.7 | 0 | 0 | 0 | 110.8 | T73 L74 S203 I206 S208 | P69-T73 WeakPolarHBondContact CA-O 3.32Å; P69-L74 HydrophobicContact CB-CD2 4.03Å; P69-L74 HydrophobicContact CG-CD2 4.48Å; P69-S203 WeakPolarHBondContact CD-OG 3.14Å; P69-I206 WeakPolarHBondContact CB-O 3.17Å; P69-I206 VanDerWaalsContact CG-C 3.43Å; P69-I206 VanDerWaalsContact CG-O 3.28Å; P69-I206 WeakPolarHBondContact CG-O 3.3Å; P69-S208 WeakPolarHBondContact O-CB 3.46Å; P69-S208 PolarHBondContact O-OG 2.94Å |
| 70 | I | 79.9 | Confident | 83.6 | Confident | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 117.6 | 173.8 | -62.6 | 179.9 | 0 | 0 | 0 | 106.9 | I68 E72 T73 I75 L88 L119 I201 M238 L274 | I68-I70 HydrophobicContact CG2-CD1 4.26Å; I68-I70 HydrophobicContact CG2-CG1 3.91Å; I68-I70 PolarHBondContact O-N 3.4Å; I70-E72 VanDerWaalsContact C-N 3.31Å; I70-E72 PolarHBondContact O-N 2.82Å; I70-T73 PolarHBondContact N-O 2.85Å; I70-T73 PolarHBondContact O-N 2.82Å; I70-T73 PolarHBondContact O-OG1 3.08Å; I70-I75 HydrophobicContact CB-CG1 3.93Å; I70-I75 HydrophobicContact CD1-CG1 4.01Å; I70-I75 HydrophobicContact CG1-CG1 4.12Å; I70-L88 HydrophobicContact CB-CD1 4.34Å; I70-L88 HydrophobicContact CD1-CD1 4.22Å; I70-L88 HydrophobicContact CD1-CD2 4.17Å; I70-L88 HydrophobicContact CG2-CD1 3.64Å; I70-L119 HydrophobicContact CD1-CD1 4.17Å; I70-I201 HydrophobicContact CD1-CD1 4.36Å; I70-M238 HydrophobicContact CG2-CE 3.93Å; I70-L274 HydrophobicContact CD1-CD1 3.94Å; I70-L274 HydrophobicContact CG1-CB 4.42Å; I70-L274 HydrophobicContact CG1-CD1 3.93Å; I70-L274 HydrophobicContact CG2-CB 4.2Å |
| 71 | Y | 70 | Confident | 83.6 | Confident | 25 Ų | 25 | 46.7 Ų | 46.7 | 10% | 0.098 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 40.1 | 60.5 | -171.1 | -70.1 | -98.5 | 0 | 0 | 0 | 111.7 | T73 I236 M238 L274 Y275 | Y71-T73 PolarHBondContact O-N 3.18Å; Y71-I236 HydrophobicContact CE2-CD1 4.03Å; Y71-I236 HydrophobicContact CE2-CG2 3.98Å; Y71-I236 WeakPolarHBondContact OH-CD1 3.04Å; Y71-M238 HydrophobicContact CD1-SD 4.48Å; Y71-M238 HydrophobicContact CD2-CE 3.56Å; Y71-M238 HydrophobicContact CD2-SD 3.66Å; Y71-M238 HydrophobicContact CE2-CE 4.04Å; Y71-M238 HydrophobicContact CE2-SD 4.08Å; Y71-M238 HydrophobicContact CG-CE 4.26Å; Y71-M238 HydrophobicContact CG-SD 3.87Å; Y71-L274 WeakPolarHBondContact CD2-O 3.46Å; Y71-L274 VanDerWaalsContact CE2-C 3.44Å; Y71-L274 PolarHBondContact N-O 3.19Å; Y71-Y275 VanDerWaalsContact CE1-C 3.45Å |
| 72 | E | 61.9 | Low | 83.6 | Confident | 78 Ų | 78 | 43.3 Ų | 43.3 | 36% | 0.364 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.4 | -6.9 | 177.7 | -56.1 | 172.7 | 172.3 | 0 | 0 | 115.8 | I70 F1075 P1077 | I70-E72 VanDerWaalsContact C-N 3.31Å; I70-E72 PolarHBondContact O-N 2.82Å; E72-F1075 VanDerWaalsContact OE2-CB 3.25Å; E72-F1075 WeakPolarHBondContact OE2-CB 3.15Å; E72-P1077 WeakPolarHBondContact OE1-CA 3.46Å |
| 73 | T | 70.1 | Confident | 83.1 | Confident | 22 Ų | 22 | 43.8 Ų | 43.8 | 14% | 0.135 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 125.7 | 176.4 | 63.3 | 0 | 0 | 0 | 0 | 112.1 | P69 I70 Y71 I75 T1070 | P69-T73 WeakPolarHBondContact CA-O 3.32Å; I70-T73 PolarHBondContact N-O 2.85Å; I70-T73 PolarHBondContact O-N 2.82Å; I70-T73 PolarHBondContact O-OG1 3.08Å; Y71-T73 PolarHBondContact O-N 3.18Å; T73-I75 PolarHBondContact O-N 2.86Å; T73-I75 VanDerWaalsContact O-N 3.09Å; T73-I75 VanDerWaalsContact OG1-CD1 3.29Å; T73-I75 WeakPolarHBondContact OG1-CD1 3.31Å; T73-T1070 HydrophobicContact CG2-CG2 4.46Å |
| 74 | L | 79 | Confident | 83 | Confident | 107 Ų | 107 | 38.4 Ų | 38.4 | 56% | 0.56 | 18% | 0.183 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 90.8 | 176.1 | -76 | 171.5 | 0 | 0 | 0 | 110.4 | P67 P69 K76 | P67-L74 HydrophobicContact CB-CB 4.17Å; P67-L74 HydrophobicContact CB-CD2 4.25Å; P69-L74 HydrophobicContact CB-CD2 4.03Å; P69-L74 HydrophobicContact CG-CD2 4.48Å; L74-K76 PolarHBondContact O-N 3.14Å |
| 75 | I | 86.6 | Confident | 82.9 | Confident | 9 Ų | 9 | 37.8 Ų | 37.8 | 5% | 0.046 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 112.4 | 178.4 | -53.7 | -47.8 | 0 | 0 | 0 | 109.1 | L64 P67 I68 I70 T73 K77 I78 L88 | L64-I75 WeakPolarHBondContact CD1-O 3.04Å; P67-I75 CarbonylContact C-O 3.47Å; P67-I75 VanDerWaalsContact CA-O 3.31Å; P67-I75 WeakPolarHBondContact CA-O 3.43Å; I68-I75 PolarHBondContact N-O 2.86Å; I68-I75 WeakPolarHBondContact O-CB 3.43Å; I68-I75 PolarHBondContact O-N 2.03Å; I70-I75 HydrophobicContact CB-CG1 3.93Å; I70-I75 HydrophobicContact CD1-CG1 4.01Å; I70-I75 HydrophobicContact CG1-CG1 4.12Å; T73-I75 PolarHBondContact O-N 2.86Å; T73-I75 VanDerWaalsContact O-N 3.09Å; T73-I75 VanDerWaalsContact OG1-CD1 3.29Å; T73-I75 WeakPolarHBondContact OG1-CD1 3.31Å; I75-K77 WeakPolarHBondContact CG2-O 3.42Å; I75-I78 HydrophobicContact CG2-CG2 3.45Å; I75-I78 VanDerWaalsContact CG2-CG2 3.45Å; I75-L88 HydrophobicContact CD1-CB 3.9Å; I75-L88 HydrophobicContact CG1-CB 4.27Å; I75-L88 HydrophobicContact CG1-CD1 4.48Å; I75-L88 HydrophobicContact CG2-CB 4.48Å |
| 76 | K | 85.5 | Confident | 83.4 | Confident | 128 Ų | 128 | 33.2 Ų | 33.2 | 56% | 0.557 | 16% | 0.159 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -95.7 | -25.1 | 176.3 | -54.8 | -166.3 | 176.5 | 180 | 0 | 112.8 | L64 P67 L74 | L64-K76 PolarHBondContact N-O 3.44Å; P67-K76 HydrophobicContact CB-CG 3.98Å; P67-K76 HydrophobicContact CG-CD 4.31Å; P67-K76 HydrophobicContact CG-CG 3.92Å; L74-K76 PolarHBondContact O-N 3.14Å |
| 77 | K | 89 | Confident | 83.7 | Confident | 94 Ų | 94 | 28.6 Ų | 28.6 | 41% | 0.409 | 14% | 0.141 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 134.8 | -175.9 | -59.7 | -167.2 | -174.6 | -139.3 | 0 | 108.1 | T61 Y62 E63 I75 | T61-K77 HydrophobicContact CG2-CB 3.79Å; T61-K77 HydrophobicContact CG2-CD 4.17Å; T61-K77 HydrophobicContact CG2-CG 4.45Å; Y62-K77 CarbonylContact O-C 3.52Å; Y62-K77 VanDerWaalsContact O-CA 3.27Å; Y62-K77 WeakPolarHBondContact O-CA 3.15Å; E63-K77 HydrophobicContact CB-CD 4.49Å; E63-K77 HydrophobicContact CB-CG 4.2Å; E63-K77 HydrophobicContact CG-CG 4.21Å; E63-K77 WeakPolarHBondContact OE1-CE 3.32Å; E63-K77 IonicContact OE1-NZ 3.22Å; E63-K77 PolarHBondContact OE1-NZ 2.85Å; E63-K77 IonicContact OE2-NZ 3.76Å; E63-K77 PolarHBondContact OE2-NZ 2.03Å; I75-K77 WeakPolarHBondContact CG2-O 3.42Å |
| 78 | I | 91.4 | Very high | 84 | Confident | 3 Ų | 3 | 26.1 Ų | 26.1 | 2% | 0.015 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 129 | 173 | 51.2 | 177.3 | 0 | 0 | 0 | 108.2 | Y62 L64 I75 I80 L88 I179 | Y62-I78 PolarHBondContact N-O 3.35Å; Y62-I78 PolarHBondContact O-N 3.04Å; L64-I78 HydrophobicContact CD1-CG2 4.45Å; L64-I78 HydrophobicContact CD2-CD1 4.04Å; L64-I78 HydrophobicContact CD2-CG1 4.3Å; I75-I78 HydrophobicContact CG2-CG2 3.45Å; I75-I78 VanDerWaalsContact CG2-CG2 3.45Å; I78-I80 HydrophobicContact CD1-CD1 3.94Å; I78-I80 HydrophobicContact CD1-CG1 4.04Å; I78-I80 HydrophobicContact CG1-CD1 4.17Å; I78-I80 HydrophobicContact CG1-CG1 3.94Å; I78-I80 PolarHBondContact O-N 2.83Å; I78-L88 HydrophobicContact CG2-CD2 3.97Å; I78-I179 HydrophobicContact CD1-CD1 3.56Å |
| 79 | T | 90.9 | Very high | 83.9 | Confident | 18 Ų | 18 | 27.8 Ų | 27.8 | 11% | 0.11 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 105.2 | 170.9 | -66.4 | 0 | 0 | 0 | 0 | 107.9 | T61 L86 A87 | T61-T79 PolarHBondContact OG1-OG1 2.86Å; T79-L86 WeakPolarHBondContact O-CA 3.27Å; T79-A87 PolarHBondContact N-O 2.04Å; T79-A87 PolarHBondContact O-N 3.34Å |
| 80 | I | 91.6 | Very high | 83.7 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 118.4 | -177.2 | -52.2 | -176.7 | 0 | 0 | 0 | 107.5 | S59 F60 Y62 I78 L86 I133 V135 I179 W181 | S59-I80 VanDerWaalsContact CA-O 3.27Å; S59-I80 WeakPolarHBondContact CA-O 3.26Å; F60-I80 HydrophobicContact CD2-CB 4.43Å; F60-I80 HydrophobicContact CE1-CB 4.38Å; F60-I80 HydrophobicContact CE1-CG2 4.42Å; F60-I80 HydrophobicContact CE2-CB 3.95Å; F60-I80 HydrophobicContact CE2-CD1 3.95Å; F60-I80 HydrophobicContact CE2-CG1 4.31Å; F60-I80 HydrophobicContact CE2-CG2 4.47Å; F60-I80 HydrophobicContact CZ-CB 3.93Å; F60-I80 HydrophobicContact CZ-CD1 4.35Å; F60-I80 HydrophobicContact CZ-CG2 4Å; F60-I80 PolarHBondContact N-O 3.31Å; F60-I80 PolarHBondContact O-N 3.2Å; Y62-I80 HydrophobicContact CD2-CD1 4.44Å; Y62-I80 HydrophobicContact CG-CD1 4.21Å; I78-I80 HydrophobicContact CD1-CD1 3.94Å; I78-I80 HydrophobicContact CD1-CG1 4.04Å; I78-I80 HydrophobicContact CG1-CD1 4.17Å; I78-I80 HydrophobicContact CG1-CG1 3.94Å; I78-I80 PolarHBondContact O-N 2.83Å; I80-L86 HydrophobicContact CB-CD2 4.1Å; I80-L86 HydrophobicContact CG1-CD2 3.89Å; I80-L86 HydrophobicContact CG2-CD2 3.88Å; I80-I133 HydrophobicContact CG2-CG2 4.06Å; I80-V135 HydrophobicContact CD1-CG2 3.42Å; I80-V135 VanDerWaalsContact CD1-CG2 3.42Å; I80-I179 HydrophobicContact CD1-CD1 4.1Å; I80-I179 HydrophobicContact CD1-CG1 4.47Å; I80-I179 HydrophobicContact CD1-CG2 4.33Å; I80-I179 HydrophobicContact CG2-CG2 4.17Å; I80-W181 HydrophobicContact CG2-CZ2 3.91Å |
| 81 | R | 89.1 | Confident | 83.5 | Confident | 19 Ų | 19 | 36.1 Ų | 36.1 | 7% | 0.072 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 149.7 | 176.8 | -52.9 | -156.8 | 72 | 173.5 | -5.9 | 111.2 | D58 N83 G84 L85 P97 S98 W181 | D58-R81 WeakPolarHBondContact O-CA 3.03Å; R81-N83 WeakPolarHBondContact CB-OD1 3.39Å; R81-N83 PolarHBondContact O-N 3.03Å; R81-G84 PolarHBondContact O-N 3.19Å; R81-L85 HydrophobicContact CB-CB 4.29Å; R81-L85 WeakPolarHBondContact CB-O 3.04Å; R81-L85 HydrophobicContact CG-CB 4.47Å; R81-L85 HydrophobicContact CG-CD2 4.02Å; R81-L85 PolarHBondContact N-O 3.2Å; R81-P97 PolarHBondContact NH1-O 2.82Å; R81-S98 PolarHBondContact NH2-O 3.47Å; R81-W181 PolarHBondContact O-NE1 2.85Å |
| 82 | K | 85.3 | Confident | 84.1 | Confident | 14 Ų | 14 | 34.9 Ų | 34.9 | 6% | 0.061 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | -35.2 | 178.1 | -173.6 | -177.8 | 176.9 | -165.8 | 0 | 113.7 | Y51 D58 G84 D127 G128 M184 | Y51-K82 HydrophobicContact CE1-CD 3.89Å; Y51-K82 HydrophobicContact CE1-CG 4.2Å; Y51-K82 HydrophobicContact CE2-CG 4.18Å; D58-K82 WeakPolarHBondContact O-CB 3.04Å; D58-K82 PolarHBondContact O-N 3.42Å; D58-K82 VanDerWaalsContact OD1-CD 3.32Å; D58-K82 WeakPolarHBondContact OD1-CD 3.44Å; D58-K82 IonicContact OD1-NZ 2.9Å; K82-G84 PolarHBondContact O-N 3.14Å; K82-D127 PolarHBondContact NZ-O 2.9Å; K82-G128 WeakPolarHBondContact CE-O 3.39Å; K82-G128 PolarHBondContact NZ-O 3.42Å; K82-M184 HydrophobicContact CG-CE 3.6Å; K82-M184 WeakPolarHBondContact O-CE 3.02Å |
| 83 | N | 81.6 | Confident | 84.8 | Confident | 10 Ų | 10 | 32.4 Ų | 32.4 | 5% | 0.053 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -9.3 | -172 | 69.1 | -30.9 | 0 | 0 | 0 | 115.3 | R81 L85 F122 S123 Y197 | R81-N83 WeakPolarHBondContact CB-OD1 3.39Å; R81-N83 PolarHBondContact O-N 3.03Å; N83-L85 WeakPolarHBondContact OD1-CB 3.01Å; N83-L85 PolarHBondContact OD1-N 3.4Å; N83-F122 CarbonylContact C-O 3.58Å; N83-F122 CarbonylContact O-C 3.56Å; N83-S123 WeakPolarHBondContact CB-O 3.16Å; N83-S123 PolarHBondContact ND2-O 3.42Å; N83-Y197 PolarHBondContact O-OH 2.88Å |
| 84 | G | 85.8 | Confident | 85.1 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | S | Bend | trans | 108.9 | 8.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | R81 K82 I121 F122 Y197 | R81-G84 PolarHBondContact O-N 3.19Å; K82-G84 PolarHBondContact O-N 3.14Å; G84-I121 VanDerWaalsContact O-CG2 3.27Å; G84-I121 WeakPolarHBondContact O-CG2 3.29Å; G84-I121 PolarHBondContact O-N 2.94Å; G84-F122 CarbonylContact C-O 3.57Å; G84-F122 WeakPolarHBondContact CA-O 3.25Å; G84-Y197 WeakPolarHBondContact CA-OH 3.42Å; G84-Y197 PolarHBondContact N-OH 2.98Å |
| 85 | L | 88.9 | Confident | 85.2 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 140.4 | 179.6 | -173 | 141.1 | 0 | 0 | 0 | 112.3 | R81 N83 L96 L111 Y118 | R81-L85 HydrophobicContact CB-CB 4.29Å; R81-L85 WeakPolarHBondContact CB-O 3.04Å; R81-L85 HydrophobicContact CG-CB 4.47Å; R81-L85 HydrophobicContact CG-CD2 4.02Å; R81-L85 PolarHBondContact N-O 3.2Å; N83-L85 WeakPolarHBondContact OD1-CB 3.01Å; N83-L85 PolarHBondContact OD1-N 3.4Å; L85-L96 HydrophobicContact CD1-CD2 3.89Å; L85-L96 HydrophobicContact CD2-CD2 3.66Å; L85-L96 HydrophobicContact CG-CD2 4.44Å; L85-L111 HydrophobicContact CD1-CD1 3.69Å; L85-L111 HydrophobicContact CD1-CD2 3.51Å; L85-L111 HydrophobicContact CD1-CG 4.26Å; L85-Y118 HydrophobicContact CD2-CD1 4.02Å |
| 86 | L | 91.5 | Very high | 84.7 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 119.2 | 172.5 | -54 | 179.9 | 0 | 0 | 0 | 109.2 | T79 I80 Y118 L119 I179 W181 M199 | T79-L86 WeakPolarHBondContact O-CA 3.27Å; I80-L86 HydrophobicContact CB-CD2 4.1Å; I80-L86 HydrophobicContact CG1-CD2 3.89Å; I80-L86 HydrophobicContact CG2-CD2 3.88Å; L86-Y118 VanDerWaalsContact O-CA 3.29Å; L86-Y118 WeakPolarHBondContact O-CA 3.05Å; L86-L119 HydrophobicContact CB-CB 4.26Å; L86-L119 HydrophobicContact CD1-CB 4.36Å; L86-L119 PolarHBondContact N-O 3.13Å; L86-L119 PolarHBondContact O-N 3.27Å; L86-I179 HydrophobicContact CD1-CD1 3.72Å; L86-I179 HydrophobicContact CD2-CD1 3.85Å; L86-I179 HydrophobicContact CG-CD1 4.46Å; L86-W181 HydrophobicContact CD2-CH2 3.81Å; L86-W181 HydrophobicContact CD2-CZ2 3.9Å; L86-W181 HydrophobicContact CG-CH2 4.2Å; L86-M199 HydrophobicContact CD1-CE 4.1Å; L86-M199 HydrophobicContact CD1-SD 3.53Å; L86-M199 VanDerWaalsContact CD1-SD 3.53Å |
| 87 | A | 90.8 | Very high | 84.2 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.008 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 127.5 | 165.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | T79 Y118 | T79-A87 PolarHBondContact N-O 2.04Å; T79-A87 PolarHBondContact O-N 3.34Å; A87-Y118 HydrophobicContact CB-CD1 4.12Å; A87-Y118 HydrophobicContact CB-CE1 4.23Å |
| 88 | L | 89.3 | Confident | 83.1 | Confident | 4 Ų | 4 | 32.7 Ų | 32.7 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -86.8 | -10.8 | -170 | -58.2 | -175 | 0 | 0 | 0 | 114.2 | I70 I75 I78 R117 L119 M238 | I70-L88 HydrophobicContact CB-CD1 4.34Å; I70-L88 HydrophobicContact CD1-CD1 4.22Å; I70-L88 HydrophobicContact CD1-CD2 4.17Å; I70-L88 HydrophobicContact CG2-CD1 3.64Å; I75-L88 HydrophobicContact CD1-CB 3.9Å; I75-L88 HydrophobicContact CG1-CB 4.27Å; I75-L88 HydrophobicContact CG1-CD1 4.48Å; I75-L88 HydrophobicContact CG2-CB 4.48Å; I78-L88 HydrophobicContact CG2-CD2 3.97Å; L88-R117 HydrophobicContact CB-CB 4.12Å; L88-R117 HydrophobicContact CD1-CB 4.23Å; L88-R117 HydrophobicContact CG-CB 4.41Å; L88-R117 PolarHBondContact N-O 2.9Å; L88-L119 HydrophobicContact CD1-CG 4.23Å; L88-L119 HydrophobicContact CD2-CD1 4.17Å; L88-L119 HydrophobicContact CD2-CG 4.23Å; L88-M238 HydrophobicContact CD1-CE 3.89Å |
| 89 | D | 82.6 | Confident | 81.9 | Confident | 38 Ų | 38 | 34.8 Ų | 34.8 | 20% | 0.203 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -148.7 | 173.3 | 175.4 | 52.9 | 54.6 | 0 | 0 | 0 | 110.9 | I91 S92 G93 R117 | D89-I91 PolarHBondContact OD1-N 3.12Å; D89-S92 VanDerWaalsContact CG-OG 3.32Å; D89-S92 VanDerWaalsContact OD1-CB 3.27Å; D89-S92 WeakPolarHBondContact OD1-CB 3.45Å; D89-S92 PolarHBondContact OD1-N 2.87Å; D89-S92 PolarHBondContact OD1-OG 2.73Å; D89-G93 PolarHBondContact O-N 2.77Å; D89-R117 IonicContact OD2-NH1 3.83Å; D89-R117 PolarHBondContact OD2-NH1 2.04Å |
| 90 | S | 77.4 | Confident | 81.1 | Confident | 82 Ų | 82 | 34.6 Ų | 34.6 | 57% | 0.573 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -66.7 | -39.4 | -178.7 | 52.2 | 0 | 0 | 0 | 0 | 112.5 | S92 G93 D94 | S90-S92 VanDerWaalsContact C-N 3.3Å; S90-S92 PolarHBondContact O-N 3.33Å; S90-G93 CarbonylContact O-C 3.58Å; S90-G93 WeakPolarHBondContact O-CA 3.36Å; S90-G93 PolarHBondContact O-N 3.4Å; S90-D94 VanDerWaalsContact O-CG 3.26Å; S90-D94 PolarHBondContact O-N 3.39Å |
| 91 | I | 75.3 | Confident | 79.8 | Confident | 106 Ų | 106 | 35 Ų | 35 | 54% | 0.544 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -58.4 | -46.1 | 179.5 | -59.1 | 169.1 | 0 | 0 | 0 | 109.8 | D89 G93 D94 N95 | D89-I91 PolarHBondContact OD1-N 3.12Å; I91-G93 VanDerWaalsContact C-N 3.31Å; I91-G93 PolarHBondContact O-N 3.23Å; I91-D94 PolarHBondContact O-N 2.99Å; I91-N95 VanDerWaalsContact O-CB 3.31Å; I91-N95 WeakPolarHBondContact O-CB 3.27Å; I91-N95 VanDerWaalsContact O-CG 3.29Å; I91-N95 PolarHBondContact O-N 3.34Å |
| 92 | S | 82.5 | Confident | 78.5 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.1 | -40.1 | 173.5 | -53.9 | 0 | 0 | 0 | 0 | 112 | D89 S90 L96 G116 R117 Y118 | D89-S92 VanDerWaalsContact CG-OG 3.32Å; D89-S92 VanDerWaalsContact OD1-CB 3.27Å; D89-S92 WeakPolarHBondContact OD1-CB 3.45Å; D89-S92 PolarHBondContact OD1-N 2.87Å; D89-S92 PolarHBondContact OD1-OG 2.73Å; S90-S92 VanDerWaalsContact C-N 3.3Å; S90-S92 PolarHBondContact O-N 3.33Å; S92-L96 PolarHBondContact O-N 3.08Å; S92-G116 WeakPolarHBondContact OG-CA 2.97Å; S92-R117 PolarHBondContact OG-N 3.16Å; S92-R117 PolarHBondContact OG-O 2.9Å; S92-Y118 WeakPolarHBondContact O-CE1 3.43Å; S92-Y118 PolarHBondContact O-OH 2.93Å; S92-Y118 VanDerWaalsContact O-OH 3.07Å |
| 93 | G | 75.8 | Confident | 77.1 | Confident | 25 Ų | 25 | 41.8 Ų | 41.8 | 26% | 0.258 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.5 | -41.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | D89 S90 I91 | D89-G93 PolarHBondContact O-N 2.77Å; S90-G93 CarbonylContact O-C 3.58Å; S90-G93 WeakPolarHBondContact O-CA 3.36Å; S90-G93 PolarHBondContact O-N 3.4Å; I91-G93 VanDerWaalsContact C-N 3.31Å; I91-G93 PolarHBondContact O-N 3.23Å |
| 94 | D | 78 | Confident | 76 | Confident | 132 Ų | 132 | 41.7 Ų | 41.7 | 71% | 0.706 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -76.8 | -34.2 | -176.1 | -64.7 | -34.5 | 0 | 0 | 0 | 112.4 | S90 I91 L96 | S90-D94 VanDerWaalsContact O-CG 3.26Å; S90-D94 PolarHBondContact O-N 3.39Å; I91-D94 PolarHBondContact O-N 2.99Å; D94-L96 VanDerWaalsContact C-N 3.35Å |
| 95 | N | 79.4 | Confident | 74.4 | Confident | 71 Ų | 71 | 44.1 Ų | 44.1 | 38% | 0.38 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -74.8 | -21.3 | 178.5 | -75.6 | -11.8 | 0 | 0 | 0 | 113.6 | I91 F114 D115 | I91-N95 VanDerWaalsContact O-CB 3.31Å; I91-N95 WeakPolarHBondContact O-CB 3.27Å; I91-N95 VanDerWaalsContact O-CG 3.29Å; I91-N95 PolarHBondContact O-N 3.34Å; N95-F114 WeakPolarHBondContact O-CD1 3.45Å; N95-D115 WeakPolarHBondContact CB-O 3.15Å; N95-D115 PolarHBondContact ND2-O 3.32Å |
| 96 | L | 76.3 | Confident | 72.8 | Confident | 9 Ų | 9 | 50.5 Ų | 50.5 | 5% | 0.047 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -84.9 | 128.5 | -179.7 | -147 | 78.4 | 0 | 0 | 0 | 111 | L85 S92 D94 S98 Y100 L111 F114 Y118 | L85-L96 HydrophobicContact CD1-CD2 3.89Å; L85-L96 HydrophobicContact CD2-CD2 3.66Å; L85-L96 HydrophobicContact CG-CD2 4.44Å; S92-L96 PolarHBondContact O-N 3.08Å; D94-L96 VanDerWaalsContact C-N 3.35Å; L96-S98 PolarHBondContact O-N 3.05Å; L96-Y100 HydrophobicContact CD2-CD1 4.05Å; L96-Y100 HydrophobicContact CD2-CG 4.04Å; L96-Y100 HydrophobicContact CG-CD2 4.38Å; L96-Y100 HydrophobicContact CG-CG 4.11Å; L96-L111 HydrophobicContact CD1-CD1 3.45Å; L96-L111 VanDerWaalsContact CD1-CD1 3.45Å; L96-L111 HydrophobicContact CD2-CD1 4.47Å; L96-F114 HydrophobicContact CD1-CB 4.29Å; L96-F114 HydrophobicContact CD1-CD2 3.97Å; L96-F114 HydrophobicContact CD1-CG 4.05Å; L96-Y118 HydrophobicContact CB-CE1 4.3Å; L96-Y118 HydrophobicContact CD1-CD1 4.49Å; L96-Y118 HydrophobicContact CD1-CE1 3.8Å; L96-Y118 HydrophobicContact CD1-CE2 4.43Å; L96-Y118 HydrophobicContact CD2-CE1 4.49Å; L96-Y118 HydrophobicContact CG-CE1 4.42Å |
| 97 | P | 74.6 | Confident | 71.4 | Confident | 48 Ų | 48 | 53.9 Ų | 53.9 | 31% | 0.312 | 33% | 0.325 | S | S | . | . | trans | -52.4 | 138.5 | 177.6 | -28.7 | 35 | 0 | 0 | 0 | 112.8 | R81 A99 Y100 F114 | R81-P97 PolarHBondContact NH1-O 2.82Å; P97-A99 PolarHBondContact O-N 3Å; P97-Y100 HydrophobicContact CG-CD2 4.45Å; P97-Y100 VanDerWaalsContact O-CB 3.24Å; P97-Y100 WeakPolarHBondContact O-CB 3.19Å; P97-Y100 PolarHBondContact O-N 2.9Å; P97-F114 VanDerWaalsContact CD-CE1 3.46Å; P97-F114 HydrophobicContact CG-CE1 3.77Å; P97-F114 HydrophobicContact CG-CZ 3.87Å | ||
| 98 | S | 67.8 | Low | 69.9 | Low | 106 Ų | 106 | 57.8 Ų | 57.8 | 74% | 0.741 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -36.6 | -179.2 | 54.5 | 0 | 0 | 0 | 0 | 112.2 | R81 L96 | R81-S98 PolarHBondContact NH2-O 3.47Å; L96-S98 PolarHBondContact O-N 3.05Å |
| 99 | A | 66.3 | Low | 68.9 | Low | 48 Ų | 48 | 61.5 Ų | 61.5 | 40% | 0.397 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 19.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | P97 V102 | P97-A99 PolarHBondContact O-N 3Å; A99-V102 VanDerWaalsContact O-CB 3.24Å; A99-V102 WeakPolarHBondContact O-CB 3.44Å; A99-V102 WeakPolarHBondContact O-CG2 3.19Å; A99-V102 PolarHBondContact O-N 2.83Å |
| 100 | Y | 73.3 | Confident | 68.5 | Low | 13 Ų | 13 | 62.1 Ų | 62.1 | 5% | 0.051 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 132.5 | 177.7 | -168.2 | -88.9 | 0 | 0 | 0 | 111.4 | L96 P97 T104 L111 F114 E233 | L96-Y100 HydrophobicContact CD2-CD1 4.05Å; L96-Y100 HydrophobicContact CD2-CG 4.04Å; L96-Y100 HydrophobicContact CG-CD2 4.38Å; L96-Y100 HydrophobicContact CG-CG 4.11Å; P97-Y100 HydrophobicContact CG-CD2 4.45Å; P97-Y100 VanDerWaalsContact O-CB 3.24Å; P97-Y100 WeakPolarHBondContact O-CB 3.19Å; P97-Y100 PolarHBondContact O-N 2.9Å; Y100-T104 HydrophobicContact CD2-CG2 3.71Å; Y100-T104 HydrophobicContact CE2-CG2 3.23Å; Y100-L111 PolarHBondContact OH-N 2.95Å; Y100-L111 VanDerWaalsContact OH-N 3.13Å; Y100-F114 HydrophobicContact CD2-CE2 4.15Å; Y100-F114 HydrophobicContact CD2-CZ 4.4Å; Y100-F114 HydrophobicContact CE2-CD2 4.44Å; Y100-F114 AromaticContact CE2-CE2 3.64Å; Y100-F114 HydrophobicContact CE2-CE2 3.64Å; Y100-F114 HydrophobicContact CE2-CZ 4.25Å; Y100-E233 PolarHBondContact OH-OE1 2.03Å; Y100-E233 VanDerWaalsContact OH-OE1 3.11Å; Y100-E233 PolarHBondContact OH-OE2 2.79Å |
| 101 | P | 64 | Low | 68.4 | Low | 10 Ų | 10 | 58.2 Ų | 58.2 | 7% | 0.065 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -99 | 13.8 | 6.3 | 36 | -32 | 0 | 0 | 0 | 115.4 | N103 T104 S123 L230 | P101-N103 PolarHBondContact O-N 2.87Å; P101-T104 HydrophobicContact CB-CG2 3.95Å; P101-T104 WeakPolarHBondContact O-CB 3.12Å; P101-T104 WeakPolarHBondContact O-CG2 3.44Å; P101-T104 PolarHBondContact O-N 3.48Å; P101-T104 PolarHBondContact O-OG1 2.84Å; P101-S123 WeakPolarHBondContact CD-O 3.49Å; P101-S123 WeakPolarHBondContact CG-O 3.38Å; P101-L230 HydrophobicContact CB-CD1 4.32Å; P101-L230 HydrophobicContact CG-CD1 4.08Å |
| 102 | V | 62.3 | Low | 68.3 | Low | 85 Ų | 85 | 57.2 Ų | 57.2 | 52% | 0.515 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -20.8 | -166.8 | -177.7 | 0 | 0 | 0 | 0 | 114.8 | A99 | A99-V102 VanDerWaalsContact O-CB 3.24Å; A99-V102 WeakPolarHBondContact O-CB 3.44Å; A99-V102 WeakPolarHBondContact O-CG2 3.19Å; A99-V102 PolarHBondContact O-N 2.83Å |
| 103 | N | 56.3 | Low | 67.9 | Low | 89 Ų | 89 | 60.4 Ų | 60.4 | 48% | 0.476 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | -1.8 | 175.6 | -69.3 | -16.9 | 0 | 0 | 0 | 114.9 | P101 S105 I106 T107 | P101-N103 PolarHBondContact O-N 2.87Å; N103-S105 VanDerWaalsContact C-N 3.32Å; N103-S105 PolarHBondContact O-N 2.04Å; N103-I106 PolarHBondContact O-N 2.84Å; N103-T107 PolarHBondContact O-N 2.83Å; N103-T107 PolarHBondContact O-OG1 2.82Å |
| 104 | T | 57 | Low | 67.9 | Low | 9 Ų | 9 | 60.3 Ų | 60.3 | 6% | 0.055 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -73.2 | -18.9 | -171.9 | 59 | 0 | 0 | 0 | 0 | 114.7 | Y100 P101 I106 N108 Q109 R110 L230 | Y100-T104 HydrophobicContact CD2-CG2 3.71Å; Y100-T104 HydrophobicContact CE2-CG2 3.23Å; P101-T104 HydrophobicContact CB-CG2 3.95Å; P101-T104 WeakPolarHBondContact O-CB 3.12Å; P101-T104 WeakPolarHBondContact O-CG2 3.44Å; P101-T104 PolarHBondContact O-N 3.48Å; P101-T104 PolarHBondContact O-OG1 2.84Å; T104-I106 VanDerWaalsContact C-N 3.34Å; T104-N108 WeakPolarHBondContact O-CA 3.4Å; T104-N108 PolarHBondContact O-N 3.44Å; T104-Q109 VanDerWaalsContact CB-O 3.24Å; T104-Q109 WeakPolarHBondContact CB-O 3.43Å; T104-Q109 VanDerWaalsContact CG2-O 3.31Å; T104-Q109 WeakPolarHBondContact CG2-O 3.49Å; T104-R110 PolarHBondContact O-NH1 3.05Å; T104-L230 VanDerWaalsContact OG1-CD2 3.31Å; T104-L230 WeakPolarHBondContact OG1-CD2 3.04Å |
| 105 | S | 53.7 | Low | 67.7 | Low | 50 Ų | 50 | 58.6 Ų | 58.6 | 35% | 0.35 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -71.2 | -29.6 | 167.6 | 49.5 | 0 | 0 | 0 | 0 | 112.3 | N103 | N103-S105 VanDerWaalsContact C-N 3.32Å; N103-S105 PolarHBondContact O-N 2.04Å |
| 106 | I | 55 | Low | 67.7 | Low | 135 Ų | 135 | 55.8 Ų | 55.8 | 69% | 0.692 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -86.7 | -44.4 | 179.3 | -54.9 | 174.2 | 0 | 0 | 0 | 110.5 | N103 T104 | N103-I106 PolarHBondContact O-N 2.84Å; T104-I106 VanDerWaalsContact C-N 3.34Å |
| 107 | T | 62.1 | Low | 68.1 | Low | 70 Ų | 70 | 58.4 Ų | 58.4 | 43% | 0.429 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -85 | -14.3 | -177.2 | 62.6 | 0 | 0 | 0 | 0 | 113.9 | N103 Q109 | N103-T107 PolarHBondContact O-N 2.83Å; N103-T107 PolarHBondContact O-OG1 2.82Å; T107-Q109 PolarHBondContact O-N 2.99Å; T107-Q109 PolarHBondContact OG1-N 2.99Å |
| 108 | N | 58.4 | Low | 68.8 | Low | 83 Ų | 83 | 56.2 Ų | 56.2 | 44% | 0.444 | 31% | 0.311 | S | S | . | . | trans | 56.3 | 3.5 | -167 | -75.8 | -47.2 | 0 | 0 | 0 | 116.1 | T104 R110 | T104-N108 WeakPolarHBondContact O-CA 3.4Å; T104-N108 PolarHBondContact O-N 3.44Å; N108-R110 PolarHBondContact O-NH1 2.92Å | ||
| 109 | Q | 68.5 | Low | 69.8 | Low | 83 Ų | 83 | 51.1 Ų | 51.1 | 39% | 0.388 | 28% | 0.276 | S | S | . | . | trans | -66.1 | 144.1 | 176 | -67.8 | 174.3 | -39.4 | 0 | 0 | 111.1 | T104 T107 D113 F114 | T104-Q109 VanDerWaalsContact CB-O 3.24Å; T104-Q109 WeakPolarHBondContact CB-O 3.43Å; T104-Q109 VanDerWaalsContact CG2-O 3.31Å; T104-Q109 WeakPolarHBondContact CG2-O 3.49Å; T107-Q109 PolarHBondContact O-N 2.99Å; T107-Q109 PolarHBondContact OG1-N 2.99Å; Q109-D113 WeakPolarHBondContact CA-OD2 3.12Å; Q109-F114 HydrophobicContact CB-CE2 3.98Å; Q109-F114 HydrophobicContact CB-CZ 3.77Å; Q109-F114 HydrophobicContact CG-CZ 4.41Å | ||
| 110 | R | 74.4 | Confident | 71 | Confident | 50 Ų | 50 | 48.9 Ų | 48.9 | 19% | 0.189 | 26% | 0.257 | C | S | . | . | trans | -127.6 | 165.7 | 178.8 | -65.7 | -64 | 176.4 | -86 | -0.8 | 109.9 | T104 N108 Q112 D113 F114 E233 | T104-R110 PolarHBondContact O-NH1 3.05Å; N108-R110 PolarHBondContact O-NH1 2.92Å; R110-Q112 HydrophobicContact CB-CG 4.05Å; R110-Q112 PolarHBondContact O-N 3.34Å; R110-Q112 VanDerWaalsContact O-N 3.12Å; R110-D113 PolarHBondContact N-OD2 3.15Å; R110-D113 WeakPolarHBondContact O-CB 3.43Å; R110-D113 PolarHBondContact O-N 3.16Å; R110-F114 WeakPolarHBondContact O-CD2 3.48Å; R110-F114 WeakPolarHBondContact O-CE2 2.99Å; R110-E233 WeakPolarHBondContact CA-OE1 3.48Å; R110-E233 VanDerWaalsContact CB-OE1 3.31Å; R110-E233 WeakPolarHBondContact CB-OE1 3.01Å; R110-E233 WeakPolarHBondContact CD-OE1 3.14Å | ||
| 111 | L | 76.3 | Confident | 71.6 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -26.8 | -174.5 | -171.3 | 57.2 | 0 | 0 | 0 | 113.3 | L85 L96 Y100 D113 Y118 E233 F237 | L85-L111 HydrophobicContact CD1-CD1 3.69Å; L85-L111 HydrophobicContact CD1-CD2 3.51Å; L85-L111 HydrophobicContact CD1-CG 4.26Å; L96-L111 HydrophobicContact CD1-CD1 3.45Å; L96-L111 VanDerWaalsContact CD1-CD1 3.45Å; L96-L111 HydrophobicContact CD2-CD1 4.47Å; Y100-L111 PolarHBondContact OH-N 2.95Å; Y100-L111 VanDerWaalsContact OH-N 3.13Å; L111-D113 VanDerWaalsContact C-N 3.27Å; L111-D113 PolarHBondContact O-N 2.85Å; L111-Y118 HydrophobicContact CD1-CD1 4.04Å; L111-Y118 HydrophobicContact CD1-CD2 3.59Å; L111-Y118 HydrophobicContact CD1-CE1 4.35Å; L111-Y118 HydrophobicContact CD1-CE2 3.99Å; L111-Y118 HydrophobicContact CD1-CG 3.62Å; L111-Y118 HydrophobicContact CD2-CG 4.41Å; L111-Y118 HydrophobicContact CG-CD2 4Å; L111-Y118 HydrophobicContact CG-CG 4.14Å; L111-E233 PolarHBondContact N-OE1 3.03Å; L111-F237 HydrophobicContact CB-CB 4.49Å; L111-F237 HydrophobicContact CB-CD1 3.9Å; L111-F237 HydrophobicContact CB-CE1 4.3Å; L111-F237 HydrophobicContact CB-CG 4.14Å; L111-F237 HydrophobicContact CD2-CB 3.98Å; L111-F237 HydrophobicContact CD2-CD1 4.21Å; L111-F237 HydrophobicContact CD2-CD2 3.58Å; L111-F237 HydrophobicContact CD2-CE2 4.1Å; L111-F237 HydrophobicContact CD2-CG 3.66Å; L111-F237 HydrophobicContact CG-CB 3.82Å; L111-F237 HydrophobicContact CG-CD1 4.11Å; L111-F237 HydrophobicContact CG-CD2 4.27Å; L111-F237 HydrophobicContact CG-CG 3.82Å |
| 112 | Q | 72.6 | Confident | 72.3 | Confident | 85 Ų | 85 | 47.8 Ų | 47.8 | 40% | 0.397 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -17.2 | 173.1 | 70.8 | -146.9 | 16.1 | 0 | 0 | 114.5 | R110 F237 | R110-Q112 HydrophobicContact CB-CG 4.05Å; R110-Q112 PolarHBondContact O-N 3.34Å; R110-Q112 VanDerWaalsContact O-N 3.12Å; Q112-F237 HydrophobicContact CB-CD1 4.27Å |
| 113 | D | 73 | Confident | 72.4 | Confident | 66 Ų | 66 | 43.8 Ų | 43.8 | 35% | 0.353 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -20 | -176.2 | -53.9 | -31 | 0 | 0 | 0 | 111.9 | Q109 R110 L111 R239 | Q109-D113 WeakPolarHBondContact CA-OD2 3.12Å; R110-D113 PolarHBondContact N-OD2 3.15Å; R110-D113 WeakPolarHBondContact O-CB 3.43Å; R110-D113 PolarHBondContact O-N 3.16Å; L111-D113 VanDerWaalsContact C-N 3.27Å; L111-D113 PolarHBondContact O-N 2.85Å; D113-R239 PolarHBondContact O-NH1 3.04Å |
| 114 | F | 76.8 | Confident | 72.8 | Confident | 23 Ų | 23 | 40.1 Ų | 40.1 | 10% | 0.101 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -86.7 | 135.7 | 177.3 | -59.5 | -84 | 0 | 0 | 0 | 111.2 | N95 L96 P97 Y100 Q109 R110 G116 Y118 | N95-F114 WeakPolarHBondContact O-CD1 3.45Å; L96-F114 HydrophobicContact CD1-CB 4.29Å; L96-F114 HydrophobicContact CD1-CD2 3.97Å; L96-F114 HydrophobicContact CD1-CG 4.05Å; P97-F114 VanDerWaalsContact CD-CE1 3.46Å; P97-F114 HydrophobicContact CG-CE1 3.77Å; P97-F114 HydrophobicContact CG-CZ 3.87Å; Y100-F114 HydrophobicContact CD2-CE2 4.15Å; Y100-F114 HydrophobicContact CD2-CZ 4.4Å; Y100-F114 HydrophobicContact CE2-CD2 4.44Å; Y100-F114 AromaticContact CE2-CE2 3.64Å; Y100-F114 HydrophobicContact CE2-CE2 3.64Å; Y100-F114 HydrophobicContact CE2-CZ 4.25Å; Q109-F114 HydrophobicContact CB-CE2 3.98Å; Q109-F114 HydrophobicContact CB-CZ 3.77Å; Q109-F114 HydrophobicContact CG-CZ 4.41Å; R110-F114 WeakPolarHBondContact O-CD2 3.48Å; R110-F114 WeakPolarHBondContact O-CE2 2.99Å; F114-G116 PolarHBondContact O-N 3.39Å; F114-Y118 HydrophobicContact CB-CE2 4.29Å |
| 115 | D | 73.6 | Confident | 73 | Confident | 97 Ų | 97 | 39.7 Ų | 39.7 | 52% | 0.519 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -67.8 | 127.8 | 170.7 | -67 | -50.7 | 0 | 0 | 0 | 110.2 | N95 Y118 R239 | N95-D115 WeakPolarHBondContact CB-O 3.15Å; N95-D115 PolarHBondContact ND2-O 3.32Å; D115-Y118 PolarHBondContact O-OH 2.88Å; D115-R239 VanDerWaalsContact OD1-CD 3.32Å; D115-R239 WeakPolarHBondContact OD1-CD 3.34Å |
| 116 | G | 79 | Confident | 73.6 | Confident | 12 Ų | 12 | 37.6 Ų | 37.6 | 12% | 0.124 | 19% | 0.191 | C | C | . | . | S | Bend | trans | 152 | -172.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | S92 F114 M238 R239 | S92-G116 WeakPolarHBondContact OG-CA 2.97Å; F114-G116 PolarHBondContact O-N 3.39Å; G116-M238 WeakPolarHBondContact O-CA 3.42Å; G116-R239 PolarHBondContact O-N 2.04Å |
| 117 | R | 85.2 | Confident | 74.1 | Confident | 64 Ų | 64 | 34.2 Ų | 34.2 | 24% | 0.242 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 109.6 | -178 | -65.2 | -178.3 | 179.5 | 128.9 | -7 | 109.7 | L88 D89 S92 M238 | L88-R117 HydrophobicContact CB-CB 4.12Å; L88-R117 HydrophobicContact CD1-CB 4.23Å; L88-R117 HydrophobicContact CG-CB 4.41Å; L88-R117 PolarHBondContact N-O 2.9Å; D89-R117 IonicContact OD2-NH1 3.83Å; D89-R117 PolarHBondContact OD2-NH1 2.04Å; S92-R117 PolarHBondContact OG-N 3.16Å; S92-R117 PolarHBondContact OG-O 2.9Å; R117-M238 HydrophobicContact CB-CE 4.45Å; R117-M238 HydrophobicContact CB-CG 4.42Å; R117-M238 HydrophobicContact CG-CG 4.36Å |
| 118 | Y | 88.9 | Confident | 74.5 | Confident | 1 Ų | 1 | 31 Ų | 31 | 0% | 0.004 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 138.6 | -174.5 | -46.2 | -81.2 | 0 | 0 | 0 | 111.5 | L85 L86 A87 S92 L96 L111 F114 D115 F237 | L85-Y118 HydrophobicContact CD2-CD1 4.02Å; L86-Y118 VanDerWaalsContact O-CA 3.29Å; L86-Y118 WeakPolarHBondContact O-CA 3.05Å; A87-Y118 HydrophobicContact CB-CD1 4.12Å; A87-Y118 HydrophobicContact CB-CE1 4.23Å; S92-Y118 WeakPolarHBondContact O-CE1 3.43Å; S92-Y118 PolarHBondContact O-OH 2.93Å; S92-Y118 VanDerWaalsContact O-OH 3.07Å; L96-Y118 HydrophobicContact CB-CE1 4.3Å; L96-Y118 HydrophobicContact CD1-CD1 4.49Å; L96-Y118 HydrophobicContact CD1-CE1 3.8Å; L96-Y118 HydrophobicContact CD1-CE2 4.43Å; L96-Y118 HydrophobicContact CD2-CE1 4.49Å; L96-Y118 HydrophobicContact CG-CE1 4.42Å; L111-Y118 HydrophobicContact CD1-CD1 4.04Å; L111-Y118 HydrophobicContact CD1-CD2 3.59Å; L111-Y118 HydrophobicContact CD1-CE1 4.35Å; L111-Y118 HydrophobicContact CD1-CE2 3.99Å; L111-Y118 HydrophobicContact CD1-CG 3.62Å; L111-Y118 HydrophobicContact CD2-CG 4.41Å; L111-Y118 HydrophobicContact CG-CD2 4Å; L111-Y118 HydrophobicContact CG-CG 4.14Å; F114-Y118 HydrophobicContact CB-CE2 4.29Å; D115-Y118 PolarHBondContact O-OH 2.88Å; Y118-F237 HydrophobicContact CD2-CB 4.43Å; Y118-F237 PolarHBondContact N-O 3.09Å; Y118-F237 PolarHBondContact O-N 2.91Å |
| 119 | L | 90.4 | Very high | 75.1 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 126.6 | 160.6 | -58 | 178.7 | 0 | 0 | 0 | 107.6 | I70 L86 L88 M199 I201 I236 L274 | I70-L119 HydrophobicContact CD1-CD1 4.17Å; L86-L119 HydrophobicContact CB-CB 4.26Å; L86-L119 HydrophobicContact CD1-CB 4.36Å; L86-L119 PolarHBondContact N-O 3.13Å; L86-L119 PolarHBondContact O-N 3.27Å; L88-L119 HydrophobicContact CD1-CG 4.23Å; L88-L119 HydrophobicContact CD2-CD1 4.17Å; L88-L119 HydrophobicContact CD2-CG 4.23Å; L119-M199 HydrophobicContact CB-CE 4Å; L119-M199 HydrophobicContact CB-SD 4.15Å; L119-M199 HydrophobicContact CD1-SD 4.17Å; L119-I201 HydrophobicContact CD1-CD1 4.25Å; L119-I236 HydrophobicContact CD2-CB 4.26Å; L119-I236 HydrophobicContact CD2-CG1 3.82Å; L119-I236 HydrophobicContact CD2-CG2 4.08Å; L119-L274 HydrophobicContact CD1-CD1 4.17Å; L119-L274 HydrophobicContact CD1-CD2 3.99Å; L119-L274 HydrophobicContact CD2-CD2 3.78Å |
| 120 | S | 89.7 | Confident | 75.6 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 127.8 | 176 | -172.3 | 0 | 0 | 0 | 0 | 109 | F122 E233 S234 G235 | S120-F122 PolarHBondContact OG-O 3.45Å; S120-E233 WeakPolarHBondContact CB-O 3.42Å; S120-E233 PolarHBondContact OG-O 2.93Å; S120-S234 WeakPolarHBondContact O-CA 3.34Å; S120-S234 PolarHBondContact O-OG 2.8Å; S120-G235 PolarHBondContact N-O 3.37Å; S120-G235 PolarHBondContact O-N 3.07Å |
| 121 | I | 86.1 | Confident | 76.1 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -92.1 | -31.1 | 164.8 | 179 | 160.6 | 0 | 0 | 0 | 110.8 | G84 W181 Y197 G198 M199 M212 Y214 S234 | G84-I121 VanDerWaalsContact O-CG2 3.27Å; G84-I121 WeakPolarHBondContact O-CG2 3.29Å; G84-I121 PolarHBondContact O-N 2.94Å; I121-W181 HydrophobicContact CG2-CE3 4.14Å; I121-W181 HydrophobicContact CG2-CH2 4.05Å; I121-W181 HydrophobicContact CG2-CZ3 3.73Å; I121-Y197 HydrophobicContact CB-CD2 4.42Å; I121-Y197 HydrophobicContact CD1-CD2 3.96Å; I121-Y197 HydrophobicContact CD1-CG 4.38Å; I121-Y197 HydrophobicContact CG1-CD2 4.02Å; I121-Y197 HydrophobicContact CG1-CG 4.43Å; I121-Y197 HydrophobicContact CG2-CD2 3.55Å; I121-Y197 HydrophobicContact CG2-CE2 3.49Å; I121-Y197 VanDerWaalsContact CG2-CE2 3.49Å; I121-G198 VanDerWaalsContact CD1-C 3.43Å; I121-G198 WeakPolarHBondContact CD1-O 3.47Å; I121-M199 HydrophobicContact CB-CE 3.83Å; I121-M199 HydrophobicContact CD1-CB 4.47Å; I121-M199 HydrophobicContact CG2-CE 4.19Å; I121-M212 HydrophobicContact CB-CG 4.4Å; I121-M212 HydrophobicContact CD1-CB 3.91Å; I121-M212 HydrophobicContact CD1-CG 4.29Å; I121-M212 HydrophobicContact CG1-CB 4.13Å; I121-M212 HydrophobicContact CG1-CG 4.29Å; I121-Y214 HydrophobicContact CG1-CE1 3.98Å; I121-Y214 WeakPolarHBondContact O-CE1 3.08Å; I121-Y214 PolarHBondContact O-OH 2.96Å; I121-S234 PolarHBondContact O-OG 2.67Å |
| 122 | F | 78.3 | Confident | 76.8 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -164.1 | 140.6 | 177.2 | -128.8 | -140.5 | 0 | 0 | 0 | 106 | N83 G84 S120 V125 Y197 Y214 V217 W219 P232 W258 | N83-F122 CarbonylContact C-O 3.58Å; N83-F122 CarbonylContact O-C 3.56Å; G84-F122 CarbonylContact C-O 3.57Å; G84-F122 WeakPolarHBondContact CA-O 3.25Å; S120-F122 PolarHBondContact OG-O 3.45Å; F122-V125 HydrophobicContact CD1-CB 3.87Å; F122-V125 HydrophobicContact CD1-CG2 3.55Å; F122-V125 HydrophobicContact CE1-CB 3.65Å; F122-V125 HydrophobicContact CE1-CG1 4.3Å; F122-V125 HydrophobicContact CE1-CG2 3.17Å; F122-V125 HydrophobicContact CZ-CG2 3.9Å; F122-Y197 HydrophobicContact CB-CD1 4.31Å; F122-Y197 HydrophobicContact CB-CE1 3.73Å; F122-Y197 HydrophobicContact CB-CE2 4.3Å; F122-Y197 HydrophobicContact CD1-CD1 4.23Å; F122-Y197 AromaticContact CD1-CE1 3.76Å; F122-Y197 HydrophobicContact CD1-CE1 3.76Å; F122-Y197 HydrophobicContact CG-CD1 4.46Å; F122-Y197 HydrophobicContact CG-CE1 4.09Å; F122-Y214 AromaticContact CD2-CE1 3.72Å; F122-Y214 HydrophobicContact CD2-CE1 3.72Å; F122-Y214 AromaticContact CE2-CE1 3.99Å; F122-Y214 HydrophobicContact CE2-CE1 3.99Å; F122-Y214 HydrophobicContact CG-CE1 4.48Å; F122-V217 HydrophobicContact CE1-CG1 3.7Å; F122-V217 HydrophobicContact CZ-CG1 3.58Å; F122-W219 HydrophobicContact CE1-CH2 4.47Å; F122-W219 HydrophobicContact CE1-CZ2 4.39Å; F122-W219 HydrophobicContact CE2-CZ2 4.2Å; F122-W219 AromaticContact CZ-CH2 3.95Å; F122-W219 HydrophobicContact CZ-CH2 3.95Å; F122-W219 AromaticContact CZ-CZ2 3.57Å; F122-W219 HydrophobicContact CZ-CZ2 3.57Å; F122-P232 HydrophobicContact CD2-CB 3.93Å; F122-P232 HydrophobicContact CE2-CB 3.78Å; F122-P232 HydrophobicContact CE2-CG 4.31Å; F122-P232 HydrophobicContact CZ-CB 4.41Å; F122-W258 HydrophobicContact CE2-CD2 4.42Å; F122-W258 HydrophobicContact CE2-CG 4.49Å | ||
| 123 | S | 64.7 | Low | 77.6 | Confident | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.007 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -116.3 | -24.6 | -177.6 | 63.6 | 0 | 0 | 0 | 0 | 114.8 | N83 P101 E233 | N83-S123 WeakPolarHBondContact CB-O 3.16Å; N83-S123 PolarHBondContact ND2-O 3.42Å; P101-S123 WeakPolarHBondContact CD-O 3.49Å; P101-S123 WeakPolarHBondContact CG-O 3.38Å; S123-E233 WeakPolarHBondContact OG-CB 3.33Å; S123-E233 PolarHBondContact OG-N 3.29Å; S123-E233 PolarHBondContact OG-OE2 3.21Å |
| 124 | S | 65.3 | Low | 78.4 | Confident | 13 Ų | 13 | 28.4 Ų | 28.4 | 9% | 0.091 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -113.8 | -12.2 | -160.8 | 54.3 | 0 | 0 | 0 | 0 | 117.9 | L230 | S124-L230 WeakPolarHBondContact CB-O 3.21Å; S124-L230 PolarHBondContact OG-O 2.82Å |
| 125 | V | 60.4 | Low | 79.1 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -106.6 | 5.5 | -160.9 | -155.1 | 0 | 0 | 0 | 0 | 113.9 | F122 N186 N195 W219 | F122-V125 HydrophobicContact CD1-CB 3.87Å; F122-V125 HydrophobicContact CD1-CG2 3.55Å; F122-V125 HydrophobicContact CE1-CB 3.65Å; F122-V125 HydrophobicContact CE1-CG1 4.3Å; F122-V125 HydrophobicContact CE1-CG2 3.17Å; F122-V125 HydrophobicContact CZ-CG2 3.9Å; V125-N186 PolarHBondContact O-ND2 3.18Å; V125-N195 PolarHBondContact O-ND2 3.35Å; V125-N195 VanDerWaalsContact O-ND2 3.17Å; V125-W219 HydrophobicContact CB-CE3 4.48Å; V125-W219 HydrophobicContact CB-CZ3 4.41Å; V125-W219 HydrophobicContact CG1-CD2 4.45Å; V125-W219 HydrophobicContact CG1-CE3 3.91Å; V125-W219 HydrophobicContact CG1-CZ3 4.32Å; V125-W219 HydrophobicContact CG2-CD2 4.4Å; V125-W219 HydrophobicContact CG2-CE3 3.62Å; V125-W219 HydrophobicContact CG2-CH2 3.55Å; V125-W219 HydrophobicContact CG2-CZ2 4.34Å; V125-W219 HydrophobicContact CG2-CZ3 3.18Å |
| 126 | N | 67.3 | Low | 79.8 | Confident | 5 Ų | 5 | 22.8 Ų | 22.8 | 3% | 0.027 | 11% | 0.11 | C | C | . | . | trans | -135.3 | 85.8 | -169.2 | -79.6 | -10 | 0 | 0 | 0 | 113.6 | M184 N195 Y197 | N126-M184 HydrophobicContact CB-CB 4.2Å; N126-M184 VanDerWaalsContact CG-CB 3.4Å; N126-M184 WeakPolarHBondContact ND2-CB 3.38Å; N126-M184 PolarHBondContact OD1-O 3.41Å; N126-N195 WeakPolarHBondContact OD1-CB 3.04Å; N126-N195 PolarHBondContact OD1-ND2 3.12Å; N126-Y197 WeakPolarHBondContact ND2-CE1 3.3Å; N126-Y197 VanDerWaalsContact ND2-CZ 3.26Å; N126-Y197 PolarHBondContact ND2-OH 2.8Å | ||
| 127 | D | 66.3 | Low | 80.2 | Confident | 65 Ų | 65 | 22.3 Ų | 22.3 | 35% | 0.348 | 10% | 0.104 | S | C | . | . | trans | -120.6 | -9.9 | 176.1 | 65.3 | -30.4 | 0 | 0 | 0 | 113.7 | K82 N186 A187 | K82-D127 PolarHBondContact NZ-O 2.9Å; D127-N186 WeakPolarHBondContact OD1-CA 3.43Å; D127-A187 PolarHBondContact OD1-N 2.86Å; D127-A187 VanDerWaalsContact OD2-CB 3.29Å; D127-A187 WeakPolarHBondContact OD2-CB 3.44Å | ||
| 128 | G | 69.9 | Low | 80.1 | Confident | 2 Ų | 2 | 19.4 Ų | 19.4 | 2% | 0.021 | 9% | 0.094 | C | C | . | . | S | Bend | trans | -62.8 | 159.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115 | K82 S130 T185 | K82-G128 WeakPolarHBondContact CE-O 3.39Å; K82-G128 PolarHBondContact NZ-O 3.42Å; G128-S130 VanDerWaalsContact C-N 3.28Å; G128-S130 PolarHBondContact O-N 2.7Å; G128-T185 WeakPolarHBondContact CA-O 3.2Å; G128-T185 PolarHBondContact N-O 3Å |
| 129 | K | 71.2 | Confident | 79.7 | Confident | 166 Ų | 166 | 20.7 Ų | 20.7 | 72% | 0.722 | 10% | 0.101 | S | C | * | . | S | Bend | trans | -85.7 | 13.3 | -171.8 | -62.1 | -160.4 | 172.2 | -146 | 0 | 115.3 | ||
| 130 | S | 79.2 | Confident | 79 | Confident | 31 Ų | 31 | 22.9 Ų | 22.9 | 22% | 0.217 | 11% | 0.112 | C | C | . | . | trans | -142 | 148.8 | -176.9 | 32.8 | 0 | 0 | 0 | 0 | 111 | G128 T185 Q192 | G128-S130 VanDerWaalsContact C-N 3.28Å; G128-S130 PolarHBondContact O-N 2.7Å; S130-T185 PolarHBondContact N-OG1 3.08Å; S130-T185 VanDerWaalsContact N-OG1 3.13Å; S130-T185 PolarHBondContact O-N 3.15Å; S130-T185 PolarHBondContact O-OG1 3.29Å; S130-T185 VanDerWaalsContact OG-CG2 3.3Å; S130-T185 WeakPolarHBondContact OG-CG2 3.34Å; S130-T185 PolarHBondContact OG-OG1 2.95Å; S130-Q192 PolarHBondContact OG-NE2 3.22Å | ||
| 131 | G | 84.7 | Confident | 78.1 | Confident | 8 Ų | 8 | 28.7 Ų | 28.7 | 8% | 0.082 | 14% | 0.143 | C | C | . | . | trans | 136.8 | 173.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y51 E182 N183 | Y51-G131 WeakPolarHBondContact CB-O 3.46Å; Y51-G131 WeakPolarHBondContact CD2-O 3.46Å; Y51-G131 PolarHBondContact N-O 2.98Å; G131-E182 CarbonylContact C-O 3.54Å; G131-E182 WeakPolarHBondContact CA-O 3.39Å; G131-N183 WeakPolarHBondContact CA-O 3.12Å | ||
| 132 | R | 89.5 | Confident | 77.2 | Confident | 83 Ų | 83 | 30.6 Ų | 30.6 | 31% | 0.313 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 136.8 | -178.7 | -50.2 | -168.6 | -67.4 | -148.3 | -6.1 | 110.6 | Y49 D50 E182 M184 | Y49-R132 WeakPolarHBondContact O-CA 3.4Å; D50-R132 HydrophobicContact CB-CG 4.23Å; D50-R132 VanDerWaalsContact CG-CD 3.47Å; D50-R132 WeakPolarHBondContact OD2-CD 3.07Å; D50-R132 IonicContact OD2-NH1 3.44Å; R132-E182 HydrophobicContact CB-CB 4.42Å; R132-E182 IonicContact CZ-OE1 3Å; R132-E182 IonicContact CZ-OE2 3.1Å; R132-E182 VanDerWaalsContact CZ-OE2 3.26Å; R132-E182 PolarHBondContact N-O 2.82Å; R132-E182 IonicContact NE-OE2 2.82Å; R132-E182 PolarHBondContact NE-OE2 3.25Å; R132-E182 IonicContact NH2-OE1 2.66Å; R132-E182 PolarHBondContact NH2-OE1 2.83Å; R132-E182 IonicContact NH2-OE2 3.34Å; R132-E182 PolarHBondContact NH2-OE2 3.45Å; R132-E182 PolarHBondContact O-N 3.39Å; R132-M184 PolarHBondContact N-SD 3.15Å; R132-M184 VanDerWaalsContact N-SD 3.42Å |
| 133 | I | 90.5 | Very high | 75.7 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 126 | 168.7 | -60.6 | 175.5 | 0 | 0 | 0 | 108.3 | Y49 Y51 F60 I80 V135 I179 L180 W181 M184 | Y49-I133 PolarHBondContact N-O 2.91Å; Y49-I133 PolarHBondContact O-N 2.05Å; Y51-I133 HydrophobicContact CE2-CD1 4.06Å; Y51-I133 HydrophobicContact CE2-CG1 4.25Å; F60-I133 HydrophobicContact CE1-CB 4.39Å; F60-I133 HydrophobicContact CE1-CD1 4.08Å; F60-I133 HydrophobicContact CE1-CG2 4.42Å; F60-I133 HydrophobicContact CZ-CB 4.18Å; F60-I133 HydrophobicContact CZ-CG2 3.84Å; I80-I133 HydrophobicContact CG2-CG2 4.06Å; I133-V135 HydrophobicContact CG2-CG2 4.46Å; I133-I179 HydrophobicContact CG2-CG2 4.15Å; I133-L180 WeakPolarHBondContact CA-O 3.45Å; I133-W181 HydrophobicContact CG1-CG 4.22Å; I133-M184 HydrophobicContact CD1-CE 4.29Å; I133-M184 HydrophobicContact CG1-CE 4.24Å; I133-M184 HydrophobicContact CG1-SD 4.11Å |
| 134 | R | 89.3 | Confident | 75.2 | Confident | 25 Ų | 25 | 38.4 Ų | 38.4 | 9% | 0.094 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 115.7 | -177.5 | -55.9 | 176.4 | 58.1 | 100.9 | 17.1 | 108.7 | I48 I179 L180 E182 | I48-R134 HydrophobicContact CG1-CG 4.34Å; I48-R134 HydrophobicContact CG2-CG 4.3Å; R134-I179 WeakPolarHBondContact O-CA 3.09Å; R134-L180 HydrophobicContact CB-CB 4.33Å; R134-L180 PolarHBondContact N-O 2.04Å; R134-L180 PolarHBondContact O-N 2.77Å; R134-E182 WeakPolarHBondContact CD-OE2 3.29Å |
| 135 | V | 91.9 | Very high | 74.9 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 118.1 | 174.5 | -171.8 | 0 | 0 | 0 | 0 | 107.6 | T46 K47 Y49 Y62 I80 I133 E137 V177 H178 I179 | T46-V135 CarbonylContact C-O 3.5Å; T46-V135 WeakPolarHBondContact CA-O 3.34Å; K47-V135 PolarHBondContact N-O 2.94Å; K47-V135 PolarHBondContact O-N 2.03Å; Y49-V135 HydrophobicContact CE2-CG2 4.3Å; Y62-V135 HydrophobicContact CD1-CG1 4.14Å; Y62-V135 HydrophobicContact CD2-CB 3.83Å; Y62-V135 HydrophobicContact CD2-CG1 3.82Å; Y62-V135 HydrophobicContact CD2-CG2 3.75Å; Y62-V135 HydrophobicContact CE1-CG1 3.88Å; Y62-V135 HydrophobicContact CE2-CB 3.46Å; Y62-V135 VanDerWaalsContact CE2-CB 3.46Å; Y62-V135 HydrophobicContact CE2-CG1 3.47Å; Y62-V135 VanDerWaalsContact CE2-CG1 3.47Å; Y62-V135 HydrophobicContact CE2-CG2 3.91Å; Y62-V135 HydrophobicContact CG-CG1 4.13Å; Y62-V135 HydrophobicContact CG-CG2 4.44Å; I80-V135 HydrophobicContact CD1-CG2 3.42Å; I80-V135 VanDerWaalsContact CD1-CG2 3.42Å; I133-V135 HydrophobicContact CG2-CG2 4.46Å; V135-E137 HydrophobicContact CG1-CG 4.5Å; V135-V177 HydrophobicContact CG1-CG1 4.34Å; V135-H178 CarbonylContact C-O 3.6Å; V135-H178 WeakPolarHBondContact CA-O 3.06Å; V135-I179 HydrophobicContact CG1-CG1 4.4Å; V135-I179 HydrophobicContact CG2-CG2 4.44Å |
| 136 | T | 88.3 | Confident | 75.4 | Confident | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.012 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 119.4 | -179.6 | -51.8 | 0 | 0 | 0 | 0 | 109.3 | F37 L44 T46 I138 H178 | F37-T136 HydrophobicContact CB-CG2 4.11Å; F37-T136 HydrophobicContact CD2-CG2 3.8Å; F37-T136 HydrophobicContact CG-CG2 4.02Å; L44-T136 HydrophobicContact CB-CG2 4.4Å; T46-T136 WeakPolarHBondContact OG1-CG2 3.4Å; T136-I138 HydrophobicContact CG2-CD1 4.32Å; T136-I138 HydrophobicContact CG2-CG1 4.22Å; T136-H178 PolarHBondContact N-O 3.1Å; T136-H178 PolarHBondContact O-N 3.49Å |
| 137 | E | 88.1 | Confident | 75.5 | Confident | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.009 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 137.2 | 180 | -60.2 | -168.9 | -67 | 0 | 0 | 110.9 | H45 Y62 L64 Q65 V135 Y175 I176 V177 | H45-E137 HydrophobicContact CB-CB 4.25Å; H45-E137 IonicContact CE1-OE1 2.67Å; H45-E137 PolarHBondContact CE1-OE1 3.2Å; H45-E137 VanDerWaalsContact CE1-OE1 3.28Å; H45-E137 PolarHBondContact N-O 3.36Å; H45-E137 IonicContact ND1-OE1 3.32Å; H45-E137 PolarHBondContact ND1-OE1 3.47Å; H45-E137 PolarHBondContact O-N 2.86Å; Y62-E137 VanDerWaalsContact CE1-CD 3.46Å; Y62-E137 HydrophobicContact CE1-CG 4.16Å; Y62-E137 WeakPolarHBondContact CE1-OE1 3.46Å; Y62-E137 PolarHBondContact OH-OE1 3.22Å; L64-E137 WeakPolarHBondContact CA-OE2 3.31Å; L64-E137 VanDerWaalsContact CD2-OE2 3.24Å; L64-E137 WeakPolarHBondContact CD2-OE2 3.43Å; Q65-E137 PolarHBondContact N-OE1 3.42Å; Q65-E137 PolarHBondContact N-OE2 2.77Å; V135-E137 HydrophobicContact CG1-CG 4.5Å; E137-Y175 HydrophobicContact CB-CE2 4.24Å; E137-Y175 WeakPolarHBondContact CB-OH 3.47Å; E137-Y175 PolarHBondContact OE2-OH 2.8Å; E137-I176 WeakPolarHBondContact CA-O 3.1Å; E137-V177 HydrophobicContact CG-CG2 4.24Å |
| 138 | I | 82.1 | Confident | 75.8 | Confident | 4 Ų | 4 | 48.7 Ų | 48.7 | 2% | 0.021 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 112.6 | -172.3 | -52.6 | -171.6 | 0 | 0 | 0 | 111 | F37 L44 T136 L140 L146 Y175 I176 | F37-I138 HydrophobicContact CD1-CD1 3.9Å; F37-I138 HydrophobicContact CD2-CD1 3.87Å; F37-I138 HydrophobicContact CE1-CD1 3.29Å; F37-I138 HydrophobicContact CE2-CD1 3.21Å; F37-I138 HydrophobicContact CE2-CG1 4.33Å; F37-I138 HydrophobicContact CG-CD1 4.2Å; F37-I138 HydrophobicContact CZ-CD1 2.95Å; F37-I138 HydrophobicContact CZ-CG1 4.35Å; L44-I138 HydrophobicContact CD2-CD1 3.48Å; L44-I138 VanDerWaalsContact CD2-CD1 3.48Å; L44-I138 HydrophobicContact CD2-CG1 3.64Å; L44-I138 HydrophobicContact CD2-CG2 4.44Å; T136-I138 HydrophobicContact CG2-CD1 4.32Å; T136-I138 HydrophobicContact CG2-CG1 4.22Å; I138-L140 HydrophobicContact CG2-CD2 3.75Å; I138-L140 HydrophobicContact CG2-CG 4.33Å; I138-L146 HydrophobicContact CD1-CD2 4.27Å; I138-L146 HydrophobicContact CG2-CD1 4.28Å; I138-L146 HydrophobicContact CG2-CD2 4.24Å; I138-Y175 WeakPolarHBondContact O-CA 3.1Å; I138-Y175 WeakPolarHBondContact O-CD2 3.42Å; I138-I176 HydrophobicContact CB-CB 4.37Å; I138-I176 PolarHBondContact N-O 3.46Å; I138-I176 PolarHBondContact O-N 3.36Å |
| 139 | D | 80 | Confident | 76 | Confident | 28 Ų | 28 | 50.1 Ų | 50.1 | 15% | 0.15 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 107.4 | 167.1 | 179.3 | -6.8 | 0 | 0 | 0 | 110 | Y66 L141 S142 | Y66-D139 HydrophobicContact CE2-CB 4.01Å; Y66-D139 PolarHBondContact OH-OD2 3.35Å; Y66-D139 VanDerWaalsContact OH-OD2 3.1Å; D139-L141 VanDerWaalsContact C-N 3.35Å; D139-L141 WeakPolarHBondContact OD1-CA 3.3Å; D139-L141 VanDerWaalsContact OD1-CB 3.25Å; D139-L141 WeakPolarHBondContact OD1-CB 3.44Å; D139-L141 PolarHBondContact OD1-N 3.18Å; D139-S142 PolarHBondContact O-OG 2.81Å; D139-S142 PolarHBondContact OD1-N 3.16Å |
| 140 | L | 77.1 | Confident | 76.2 | Confident | 46 Ų | 46 | 42.8 Ų | 42.8 | 24% | 0.241 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -82.4 | -11.6 | 177.3 | -59.9 | 174.4 | 0 | 0 | 0 | 113.1 | I138 L146 I154 A173 Q174 I176 | I138-L140 HydrophobicContact CG2-CD2 3.75Å; I138-L140 HydrophobicContact CG2-CG 4.33Å; L140-L146 HydrophobicContact CD2-CD1 3.63Å; L140-I154 HydrophobicContact CD1-CG2 4.27Å; L140-I154 HydrophobicContact CD2-CD1 4.02Å; L140-A173 WeakPolarHBondContact CB-O 3.21Å; L140-A173 HydrophobicContact CD1-CB 3.55Å; L140-A173 VanDerWaalsContact CD1-O 3.24Å; L140-A173 WeakPolarHBondContact CD1-O 3.18Å; L140-Q174 WeakPolarHBondContact CB-O 3.12Å; L140-Q174 PolarHBondContact N-O 3.15Å; L140-I176 HydrophobicContact CD1-CD1 3.86Å; L140-I176 HydrophobicContact CD1-CG1 3.94Å |
| 141 | L | 70 | Confident | 76.1 | Confident | 122 Ų | 122 | 48.9 Ų | 48.9 | 64% | 0.639 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -78 | -30.6 | 169.6 | -56.9 | 172.7 | 0 | 0 | 0 | 110.5 | D139 Q174 | D139-L141 VanDerWaalsContact C-N 3.35Å; D139-L141 WeakPolarHBondContact OD1-CA 3.3Å; D139-L141 VanDerWaalsContact OD1-CB 3.25Å; D139-L141 WeakPolarHBondContact OD1-CB 3.44Å; D139-L141 PolarHBondContact OD1-N 3.18Å; L141-Q174 HydrophobicContact CD1-CB 4.16Å; L141-Q174 HydrophobicContact CD1-CG 4.32Å; L141-Q174 HydrophobicContact CD2-CB 4.36Å; L141-Q174 HydrophobicContact CD2-CG 4.06Å; L141-Q174 HydrophobicContact CG-CB 4.09Å; L141-Q174 HydrophobicContact CG-CG 4.3Å |
| 142 | S | 66.2 | Low | 75.8 | Confident | 39 Ų | 39 | 49.5 Ų | 49.5 | 27% | 0.273 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -64.5 | 130.9 | 171 | 84.5 | 0 | 0 | 0 | 0 | 110.7 | D139 S144 | D139-S142 PolarHBondContact O-OG 2.81Å; D139-S142 PolarHBondContact OD1-N 3.16Å; S142-S144 PolarHBondContact O-N 3.01Å; S142-S144 PolarHBondContact OG-OG 3.47Å |
| 143 | P | 47 | Very low | 75.3 | Confident | 132 Ų | 132 | 46.2 Ų | 46.2 | 86% | 0.857 | 24% | 0.242 | S | C | * | . | trans | -76.3 | 31 | 177.5 | 32.5 | -36.5 | 0 | 0 | 0 | 112.8 | ||||
| 144 | S | 54.6 | Low | 74.8 | Confident | 34 Ų | 34 | 46.5 Ų | 46.5 | 24% | 0.238 | 24% | 0.243 | C | C | . | . | trans | -62.1 | 134.6 | 175 | 57.6 | 0 | 0 | 0 | 0 | 109.6 | S142 L146 | S142-S144 PolarHBondContact O-N 3.01Å; S142-S144 PolarHBondContact OG-OG 3.47Å; S144-L146 VanDerWaalsContact C-N 3.3Å; S144-L146 PolarHBondContact O-N 3.16Å | ||
| 145 | K | 59.8 | Low | 74.4 | Confident | 179 Ų | 179 | 49.1 Ų | 49.1 | 78% | 0.778 | 26% | 0.259 | S | S | * | . | trans | -76.4 | 85 | -178.9 | -74.6 | -176.5 | 179.4 | 176.3 | 0 | 109.7 | N41 | N41-K145 PolarHBondContact ND2-O 2.99Š| ||
| 146 | L | 70.3 | Confident | 74 | Confident | 35 Ų | 35 | 49.5 Ų | 49.5 | 18% | 0.183 | 26% | 0.261 | C | S | . | . | trans | -52.4 | 131.7 | 159.5 | -78.6 | 160.2 | 0 | 0 | 0 | 108.8 | F37 L44 I138 L140 S144 E150 R151 I154 | F37-L146 HydrophobicContact CE1-CD2 4.34Å; L44-L146 HydrophobicContact CD2-CD2 4.03Å; I138-L146 HydrophobicContact CD1-CD2 4.27Å; I138-L146 HydrophobicContact CG2-CD1 4.28Å; I138-L146 HydrophobicContact CG2-CD2 4.24Å; L140-L146 HydrophobicContact CD2-CD1 3.63Å; S144-L146 VanDerWaalsContact C-N 3.3Å; S144-L146 PolarHBondContact O-N 3.16Å; L146-E150 HydrophobicContact CD2-CB 4.19Å; L146-R151 HydrophobicContact CB-CB 4.37Å; L146-I154 HydrophobicContact CD1-CD1 3.76Å; L146-I154 HydrophobicContact CD2-CD1 4.2Å | ||
| 147 | P | 70.4 | Confident | 73.9 | Confident | 43 Ų | 43 | 49.4 Ų | 49.4 | 28% | 0.279 | 26% | 0.26 | S | S | . | . | trans | -68.6 | 164.4 | 177.2 | -4.1 | 19.5 | 0 | 0 | 0 | 110.2 | V149 E150 R151 | P147-V149 VanDerWaalsContact C-N 3.27Å; P147-V149 PolarHBondContact O-N 3.5Å; P147-E150 WeakPolarHBondContact CB-OE2 3.25Å; P147-E150 WeakPolarHBondContact CD-OE2 3.28Å; P147-E150 HydrophobicContact CG-CG 4.41Å; P147-E150 VanDerWaalsContact CG-OE2 3.3Å; P147-E150 WeakPolarHBondContact CG-OE2 3.3Å; P147-E150 PolarHBondContact O-N 2.85Å; P147-R151 WeakPolarHBondContact O-CB 3.5Å; P147-R151 PolarHBondContact O-N 3.07Å | ||
| 148 | C | 72 | Confident | 73.6 | Confident | 41 Ų | 41 | 50.8 Ų | 50.8 | 28% | 0.277 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -58.7 | -38.1 | -168.2 | -179.5 | 0 | 0 | 0 | 0 | 113.3 | M152 C303 | C148-M152 WeakPolarHBondContact O-CB 3.42Å; C148-M152 VanDerWaalsContact O-CG 3.28Å; C148-M152 WeakPolarHBondContact O-CG 3.32Å; C148-M152 PolarHBondContact O-N 2.95Å; C148-M152 VanDerWaalsContact O-N 3.09Å; C148-C303 HydrophobicContact CB-CB 3.78Å; C148-C303 WeakPolarHBondContact CB-SG 3.4Å; C148-C303 WeakPolarHBondContact SG-CA 3.46Å; C148-C303 WeakPolarHBondContact SG-CB 3.06Å; C148-C303 CovalentContact SG-SG 2.04Å; C148-C303 PolarHBondContact SG-SG 2.86Å |
| 149 | V | 73.7 | Confident | 73.6 | Confident | 33 Ų | 33 | 54.4 Ų | 54.4 | 20% | 0.2 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -67.7 | -53.1 | -177.4 | 173.3 | 0 | 0 | 0 | 0 | 110.1 | P147 R151 M152 Q153 L299 C303 | P147-V149 VanDerWaalsContact C-N 3.27Å; P147-V149 PolarHBondContact O-N 3.5Å; V149-R151 VanDerWaalsContact C-N 3.34Å; V149-R151 PolarHBondContact O-N 3.2Å; V149-M152 PolarHBondContact O-N 3.04Å; V149-Q153 HydrophobicContact CG1-CG 4.47Å; V149-Q153 VanDerWaalsContact O-CB 3.3Å; V149-Q153 WeakPolarHBondContact O-CB 3.18Å; V149-Q153 VanDerWaalsContact O-CG 3.24Å; V149-Q153 WeakPolarHBondContact O-CG 3.41Å; V149-Q153 PolarHBondContact O-N 3.07Å; V149-L299 HydrophobicContact CB-CD1 4.49Å; V149-L299 HydrophobicContact CG1-CD1 4.1Å; V149-L299 HydrophobicContact CG1-CD2 4.48Å; V149-L299 HydrophobicContact CG2-CD2 4.19Å; V149-L299 HydrophobicContact CG2-CG 4.46Å; V149-C303 HydrophobicContact CG2-CB 4.45Å |
| 150 | E | 75.3 | Confident | 73.7 | Confident | 12 Ų | 12 | 53.1 Ų | 53.1 | 6% | 0.056 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57 | -45.2 | 177.8 | -71.8 | 76.3 | -175.9 | 0 | 0 | 111.8 | F37 L146 P147 Q153 I154 | F37-E150 HydrophobicContact CD1-CB 4.24Å; F37-E150 HydrophobicContact CD1-CG 3.56Å; F37-E150 HydrophobicContact CE1-CB 3.83Å; F37-E150 HydrophobicContact CE1-CG 3.69Å; L146-E150 HydrophobicContact CD2-CB 4.19Å; P147-E150 WeakPolarHBondContact CB-OE2 3.25Å; P147-E150 WeakPolarHBondContact CD-OE2 3.28Å; P147-E150 HydrophobicContact CG-CG 4.41Å; P147-E150 VanDerWaalsContact CG-OE2 3.3Å; P147-E150 WeakPolarHBondContact CG-OE2 3.3Å; P147-E150 PolarHBondContact O-N 2.85Å; E150-Q153 WeakPolarHBondContact O-CB 3.42Å; E150-Q153 PolarHBondContact O-N 3.43Å; E150-I154 WeakPolarHBondContact O-CD1 3.12Å; E150-I154 VanDerWaalsContact O-CG1 3.25Å; E150-I154 WeakPolarHBondContact O-CG1 3.07Å; E150-I154 PolarHBondContact O-N 3.05Å |
| 151 | R | 77.5 | Confident | 74 | Confident | 158 Ų | 158 | 50.9 Ų | 50.9 | 60% | 0.596 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -61.4 | -50.5 | 176.8 | 179 | 179.2 | 174.1 | 150.6 | 5 | 111.7 | L146 P147 V149 Q153 I154 D155 | L146-R151 HydrophobicContact CB-CB 4.37Å; P147-R151 WeakPolarHBondContact O-CB 3.5Å; P147-R151 PolarHBondContact O-N 3.07Å; V149-R151 VanDerWaalsContact C-N 3.34Å; V149-R151 PolarHBondContact O-N 3.2Å; R151-Q153 PolarHBondContact O-N 3.24Å; R151-I154 WeakPolarHBondContact O-CB 3.42Å; R151-I154 PolarHBondContact O-N 3.27Å; R151-I154 VanDerWaalsContact O-N 3.12Å; R151-D155 VanDerWaalsContact O-CG 3.32Å; R151-D155 PolarHBondContact O-N 3.39Å |
| 152 | M | 77.5 | Confident | 74.3 | Confident | 22 Ų | 22 | 48 Ų | 48 | 11% | 0.108 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.3 | -32.4 | -179.9 | -70.7 | -178.7 | 62.3 | 0 | 0 | 112.2 | C148 V149 D155 R156 F295 S298 L299 I302 C303 | C148-M152 WeakPolarHBondContact O-CB 3.42Å; C148-M152 VanDerWaalsContact O-CG 3.28Å; C148-M152 WeakPolarHBondContact O-CG 3.32Å; C148-M152 PolarHBondContact O-N 2.95Å; C148-M152 VanDerWaalsContact O-N 3.09Å; V149-M152 PolarHBondContact O-N 3.04Å; M152-D155 PolarHBondContact O-N 2.85Å; M152-R156 PolarHBondContact O-N 3.4Å; M152-F295 VanDerWaalsContact C-CE2 3.46Å; M152-F295 HydrophobicContact CB-CD2 4.32Å; M152-F295 HydrophobicContact CB-CE2 3.85Å; M152-F295 WeakPolarHBondContact O-CD2 3.47Å; M152-F295 WeakPolarHBondContact O-CE2 3.39Å; M152-S298 WeakPolarHBondContact CE-OG 3.36Å; M152-L299 HydrophobicContact CB-CD1 4.46Å; M152-L299 HydrophobicContact CE-CB 4.36Å; M152-I302 HydrophobicContact CE-CB 4.45Å; M152-I302 HydrophobicContact CE-CD1 3.97Å; M152-I302 HydrophobicContact SD-CB 4.02Å; M152-I302 HydrophobicContact SD-CD1 4.33Å; M152-I302 HydrophobicContact SD-CG2 4.05Å; M152-C303 PolarHBondContact SD-SG 3.24Å |
| 153 | Q | 78.7 | Confident | 74.6 | Confident | 14 Ų | 14 | 48.5 Ų | 48.5 | 7% | 0.065 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.4 | -41.3 | 172.6 | -81.8 | -73.6 | 24.9 | 0 | 0 | 111.3 | F35 V149 E150 R151 R156 L157 F295 | F35-Q153 HydrophobicContact CD2-CB 3.51Å; F35-Q153 HydrophobicContact CD2-CG 4.25Å; F35-Q153 HydrophobicContact CE2-CB 3.6Å; V149-Q153 HydrophobicContact CG1-CG 4.47Å; V149-Q153 VanDerWaalsContact O-CB 3.3Å; V149-Q153 WeakPolarHBondContact O-CB 3.18Å; V149-Q153 VanDerWaalsContact O-CG 3.24Å; V149-Q153 WeakPolarHBondContact O-CG 3.41Å; V149-Q153 PolarHBondContact O-N 3.07Å; E150-Q153 WeakPolarHBondContact O-CB 3.42Å; E150-Q153 PolarHBondContact O-N 3.43Å; R151-Q153 PolarHBondContact O-N 3.24Å; Q153-R156 WeakPolarHBondContact O-CB 3.43Å; Q153-R156 PolarHBondContact O-N 3.43Å; Q153-L157 PolarHBondContact O-N 3.21Å; Q153-L157 VanDerWaalsContact O-N 3.14Å; Q153-F295 HydrophobicContact CB-CE2 4.47Å; Q153-F295 HydrophobicContact CB-CZ 4.39Å; Q153-F295 HydrophobicContact CG-CE2 4.05Å; Q153-F295 HydrophobicContact CG-CZ 3.56Å |
| 154 | I | 80.8 | Confident | 75.8 | Confident | 6 Ų | 6 | 42.3 Ų | 42.3 | 3% | 0.031 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.9 | -45.4 | 174.2 | -68.8 | 159.5 | 0 | 0 | 0 | 110.3 | F35 F37 L140 L146 E150 R151 R156 L157 I158 I176 | F35-I154 HydrophobicContact CE2-CG1 3.9Å; F35-I154 HydrophobicContact CZ-CG1 3.83Å; F37-I154 HydrophobicContact CE1-CD1 4.46Å; F37-I154 HydrophobicContact CZ-CD1 4.19Å; F37-I154 HydrophobicContact CZ-CG1 4.43Å; L140-I154 HydrophobicContact CD1-CG2 4.27Å; L140-I154 HydrophobicContact CD2-CD1 4.02Å; L146-I154 HydrophobicContact CD1-CD1 3.76Å; L146-I154 HydrophobicContact CD2-CD1 4.2Å; E150-I154 WeakPolarHBondContact O-CD1 3.12Å; E150-I154 VanDerWaalsContact O-CG1 3.25Å; E150-I154 WeakPolarHBondContact O-CG1 3.07Å; E150-I154 PolarHBondContact O-N 3.05Å; R151-I154 WeakPolarHBondContact O-CB 3.42Å; R151-I154 PolarHBondContact O-N 3.27Å; R151-I154 VanDerWaalsContact O-N 3.12Å; I154-R156 PolarHBondContact O-N 2.91Å; I154-L157 PolarHBondContact O-N 2.87Å; I154-I158 HydrophobicContact CG2-CD1 3.61Å; I154-I158 HydrophobicContact CG2-CG1 4.33Å; I154-I158 WeakPolarHBondContact O-CB 3.34Å; I154-I158 WeakPolarHBondContact O-CG1 3.43Å; I154-I158 PolarHBondContact O-N 2.99Å; I154-I176 HydrophobicContact CB-CD1 4.43Å; I154-I176 HydrophobicContact CD1-CD1 4.23Å; I154-I176 HydrophobicContact CG1-CD1 3.78Å; I154-I176 HydrophobicContact CG2-CD1 3.89Å |
| 155 | D | 81.1 | Confident | 76.5 | Confident | 80 Ų | 80 | 41 Ų | 41 | 43% | 0.428 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -57.5 | -35.3 | 175.2 | -64.8 | -32.5 | 0 | 0 | 0 | 111.4 | R151 M152 K159 | R151-D155 VanDerWaalsContact O-CG 3.32Å; R151-D155 PolarHBondContact O-N 3.39Å; M152-D155 PolarHBondContact O-N 2.85Å; D155-K159 VanDerWaalsContact O-CB 3.23Å; D155-K159 WeakPolarHBondContact O-CB 2.96Å; D155-K159 PolarHBondContact O-N 2.78Å |
| 156 | R | 84.4 | Confident | 76.3 | Confident | 8 Ų | 8 | 38 Ų | 38 | 3% | 0.03 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.5 | -52.7 | 173.3 | -172.6 | -163.9 | 98.5 | -166.7 | 17.1 | 112.3 | P33 M152 Q153 I154 I158 K159 F160 L266 E269 V291 F295 | P33-R156 PolarHBondContact O-NH1 3.33Å; M152-R156 PolarHBondContact O-N 3.4Å; Q153-R156 WeakPolarHBondContact O-CB 3.43Å; Q153-R156 PolarHBondContact O-N 3.43Å; I154-R156 PolarHBondContact O-N 2.91Å; R156-I158 VanDerWaalsContact C-N 3.33Å; R156-I158 PolarHBondContact O-N 3.38Å; R156-K159 CarbonylContact O-C 3.52Å; R156-K159 PolarHBondContact O-N 3.26Å; R156-F160 HydrophobicContact CG-CD2 4.49Å; R156-F160 HydrophobicContact CG-CE1 4.17Å; R156-F160 HydrophobicContact CG-CE2 4.1Å; R156-F160 HydrophobicContact CG-CZ 3.93Å; R156-F160 WeakPolarHBondContact O-CG 3.25Å; R156-F160 PolarHBondContact O-N 3.26Å; R156-L266 VanDerWaalsContact NH2-CD2 3.35Å; R156-E269 IonicContact CZ-OE2 3.68Å; R156-E269 IonicContact NH2-OE1 2.76Å; R156-E269 PolarHBondContact NH2-OE1 2.78Å; R156-E269 IonicContact NH2-OE2 3.79Å; R156-E269 PolarHBondContact NH2-OE2 3.03Å; R156-V291 HydrophobicContact CG-CG1 4.49Å; R156-F295 HydrophobicContact CB-CD2 3.93Å; R156-F295 HydrophobicContact CB-CE2 4.41Å; R156-F295 HydrophobicContact CB-CG 4.1Å; R156-F295 HydrophobicContact CG-CB 4.23Å; R156-F295 HydrophobicContact CG-CD1 4.32Å; R156-F295 HydrophobicContact CG-CD2 4.37Å; R156-F295 HydrophobicContact CG-CG 4.01Å |
| 157 | L | 84.6 | Confident | 75.6 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.5 | -40.1 | -178.1 | -63.9 | -176.7 | 0 | 0 | 0 | 111.4 | F35 Q153 I154 F160 I161 I200 I202 F211 | F35-L157 HydrophobicContact CD1-CD1 4.42Å; F35-L157 HydrophobicContact CD2-CD1 3.38Å; F35-L157 HydrophobicContact CD2-CG 3.91Å; F35-L157 HydrophobicContact CE1-CD1 4.41Å; F35-L157 HydrophobicContact CE2-CD1 3.44Å; F35-L157 VanDerWaalsContact CE2-CD1 3.44Å; F35-L157 HydrophobicContact CE2-CG 4.12Å; F35-L157 HydrophobicContact CG-CD1 3.93Å; F35-L157 HydrophobicContact CZ-CD1 3.97Å; Q153-L157 PolarHBondContact O-N 3.21Å; Q153-L157 VanDerWaalsContact O-N 3.14Å; I154-L157 PolarHBondContact O-N 2.87Å; L157-F160 HydrophobicContact CD2-CD2 4.42Å; L157-F160 WeakPolarHBondContact O-CB 3.47Å; L157-F160 PolarHBondContact O-N 2.95Å; L157-I161 WeakPolarHBondContact O-CG1 2.99Å; L157-I161 PolarHBondContact O-N 3.17Å; L157-I200 HydrophobicContact CD1-CD1 4.03Å; L157-I200 HydrophobicContact CD1-CG2 4.25Å; L157-I202 HydrophobicContact CB-CD1 3.57Å; L157-I202 HydrophobicContact CD1-CD1 3.84Å; L157-I202 HydrophobicContact CG-CD1 4.37Å; L157-F211 HydrophobicContact CB-CE2 3.9Å; L157-F211 HydrophobicContact CB-CZ 3.94Å; L157-F211 HydrophobicContact CD1-CD2 4.38Å; L157-F211 HydrophobicContact CD1-CE2 4.48Å; L157-F211 HydrophobicContact CD2-CD1 3.91Å; L157-F211 HydrophobicContact CD2-CD2 4.27Å; L157-F211 HydrophobicContact CD2-CE1 3.75Å; L157-F211 HydrophobicContact CD2-CE2 4.13Å; L157-F211 HydrophobicContact CD2-CG 4.17Å; L157-F211 HydrophobicContact CD2-CZ 3.86Å; L157-F211 HydrophobicContact CG-CE2 4.39Å; L157-F211 HydrophobicContact CG-CZ 4.43Å |
| 158 | I | 83.5 | Confident | 75 | Confident | 30 Ų | 30 | 36 Ų | 36 | 15% | 0.154 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.4 | -47.2 | 172.6 | -69 | 170.1 | 0 | 0 | 0 | 110.5 | I154 R156 F160 I161 H162 L171 A173 | I154-I158 HydrophobicContact CG2-CD1 3.61Å; I154-I158 HydrophobicContact CG2-CG1 4.33Å; I154-I158 WeakPolarHBondContact O-CB 3.34Å; I154-I158 WeakPolarHBondContact O-CG1 3.43Å; I154-I158 PolarHBondContact O-N 2.99Å; R156-I158 VanDerWaalsContact C-N 3.33Å; R156-I158 PolarHBondContact O-N 3.38Å; I158-F160 VanDerWaalsContact C-N 3.28Å; I158-F160 PolarHBondContact O-N 3.03Å; I158-I161 PolarHBondContact O-N 2.76Å; I158-I161 VanDerWaalsContact O-N 3.14Å; I158-H162 VanDerWaalsContact CG2-CD2 3.46Å; I158-H162 WeakPolarHBondContact CG2-CD2 2.97Å; I158-H162 PolarHBondContact O-CD2 2.89Å; I158-H162 PolarHBondContact O-N 3.26Å; I158-L171 HydrophobicContact CG1-CD2 4.42Å; I158-L171 HydrophobicContact CG2-CD2 4.35Å; I158-A173 HydrophobicContact CD1-CB 3.7Å; I158-A173 HydrophobicContact CG1-CB 4.01Å |
| 159 | K | 81.9 | Confident | 74 | Confident | 81 Ų | 81 | 37.2 Ų | 37.2 | 35% | 0.352 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -64 | -29.3 | 177.2 | -163 | 171.4 | -177.3 | -173 | 0 | 112.9 | D155 R156 L163 V291 E294 | D155-K159 VanDerWaalsContact O-CB 3.23Å; D155-K159 WeakPolarHBondContact O-CB 2.96Å; D155-K159 PolarHBondContact O-N 2.78Å; R156-K159 CarbonylContact O-C 3.52Å; R156-K159 PolarHBondContact O-N 3.26Å; K159-L163 HydrophobicContact CG-CD1 4.35Å; K159-L163 WeakPolarHBondContact O-CB 3.22Å; K159-L163 VanDerWaalsContact O-CG 3.26Å; K159-L163 WeakPolarHBondContact O-CG 3.22Å; K159-L163 PolarHBondContact O-N 3.07Å; K159-V291 HydrophobicContact CB-CG1 4.23Å; K159-V291 HydrophobicContact CD-CB 4.37Å; K159-V291 HydrophobicContact CD-CG1 3.74Å; K159-V291 HydrophobicContact CD-CG2 3.65Å; K159-V291 HydrophobicContact CG-CG1 4.02Å; K159-V291 HydrophobicContact CG-CG2 4Å; K159-E294 IonicContact NZ-OE1 2.82Å; K159-E294 IonicContact NZ-OE2 3.46Å; K159-E294 PolarHBondContact NZ-OE2 2.89Å |
| 160 | F | 81.8 | Confident | 73 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -69 | -44.9 | 170.1 | -71.4 | -10.7 | 0 | 0 | 0 | 112.2 | R156 L157 I158 H162 L163 S164 F211 I264 L288 V291 A292 | R156-F160 HydrophobicContact CG-CD2 4.49Å; R156-F160 HydrophobicContact CG-CE1 4.17Å; R156-F160 HydrophobicContact CG-CE2 4.1Å; R156-F160 HydrophobicContact CG-CZ 3.93Å; R156-F160 WeakPolarHBondContact O-CG 3.25Å; R156-F160 PolarHBondContact O-N 3.26Å; L157-F160 HydrophobicContact CD2-CD2 4.42Å; L157-F160 WeakPolarHBondContact O-CB 3.47Å; L157-F160 PolarHBondContact O-N 2.95Å; I158-F160 VanDerWaalsContact C-N 3.28Å; I158-F160 PolarHBondContact O-N 3.03Å; F160-H162 PolarHBondContact O-N 3.1Å; F160-L163 PolarHBondContact O-N 2.86Å; F160-S164 WeakPolarHBondContact O-CB 3Å; F160-S164 PolarHBondContact O-N 3.43Å; F160-S164 PolarHBondContact O-OG 3.26Å; F160-F211 HydrophobicContact CB-CE1 4.24Å; F160-F211 HydrophobicContact CB-CZ 4.19Å; F160-F211 HydrophobicContact CD2-CE1 4.12Å; F160-I264 HydrophobicContact CD2-CD1 3.81Å; F160-I264 HydrophobicContact CE2-CD1 4.12Å; F160-L288 HydrophobicContact CB-CD2 4.25Å; F160-L288 HydrophobicContact CD1-CD2 3.54Å; F160-L288 HydrophobicContact CE1-CD2 4.16Å; F160-L288 HydrophobicContact CG-CD2 4.13Å; F160-V291 HydrophobicContact CD1-CG1 3.95Å; F160-V291 HydrophobicContact CE1-CB 4.11Å; F160-V291 HydrophobicContact CE1-CG1 3.65Å; F160-A292 HydrophobicContact CZ-CB 4.16Å |
| 161 | I | 82.1 | Confident | 72.4 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.4 | -49.4 | 174.8 | -64.3 | 164 | 0 | 0 | 0 | 110.4 | L157 I158 L163 S164 Y165 L171 I202 Y209 F211 L271 | L157-I161 WeakPolarHBondContact O-CG1 2.99Å; L157-I161 PolarHBondContact O-N 3.17Å; I158-I161 PolarHBondContact O-N 2.76Å; I158-I161 VanDerWaalsContact O-N 3.14Å; I161-L163 VanDerWaalsContact C-N 3.27Å; I161-L163 PolarHBondContact O-N 2.84Å; I161-S164 PolarHBondContact O-N 2.93Å; I161-Y165 HydrophobicContact CG2-CD2 4.23Å; I161-Y165 PolarHBondContact O-N 2.71Å; I161-L171 HydrophobicContact CB-CD2 4.14Å; I161-L171 HydrophobicContact CD1-CD2 3.71Å; I161-L171 HydrophobicContact CG2-CD1 4.48Å; I161-L171 HydrophobicContact CG2-CD2 3.94Å; I161-I202 HydrophobicContact CD1-CB 4.31Å; I161-I202 HydrophobicContact CD1-CD1 4.31Å; I161-I202 HydrophobicContact CD1-CG2 4.29Å; I161-Y209 HydrophobicContact CD1-CD2 3.84Å; I161-Y209 HydrophobicContact CD1-CG 3.86Å; I161-Y209 HydrophobicContact CG1-CD1 4.35Å; I161-Y209 HydrophobicContact CG1-CD2 4.37Å; I161-Y209 HydrophobicContact CG1-CG 4.06Å; I161-Y209 HydrophobicContact CG2-CD1 4.09Å; I161-Y209 HydrophobicContact CG2-CD2 4.04Å; I161-Y209 HydrophobicContact CG2-CE1 3.89Å; I161-Y209 HydrophobicContact CG2-CE2 3.85Å; I161-Y209 HydrophobicContact CG2-CG 4.19Å; I161-F211 HydrophobicContact CD1-CE2 4.02Å; I161-F211 HydrophobicContact CD1-CZ 4.43Å; I161-F211 HydrophobicContact CG1-CE2 4.04Å; I161-F211 HydrophobicContact CG1-CZ 3.99Å; I161-L271 HydrophobicContact CG1-CD1 4.32Å; I161-L271 HydrophobicContact CG1-CD2 4.28Å |
| 162 | H | 76.7 | Confident | 72 | Confident | 61 Ų | 61 | 41.5 Ų | 41.5 | 28% | 0.282 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -57.8 | -34 | 177.8 | -72.7 | -64.1 | 0 | 0 | 0 | 114.3 | I158 F160 E168 A169 E170 L171 | I158-H162 VanDerWaalsContact CG2-CD2 3.46Å; I158-H162 WeakPolarHBondContact CG2-CD2 2.97Å; I158-H162 PolarHBondContact O-CD2 2.89Å; I158-H162 PolarHBondContact O-N 3.26Å; F160-H162 PolarHBondContact O-N 3.1Å; H162-E168 PolarHBondContact CE1-O 2.03Å; H162-E168 PolarHBondContact ND1-O 2.82Å; H162-E168 PolarHBondContact NE2-O 2.87Å; H162-A169 VanDerWaalsContact CE1-C 3.44Å; H162-A169 WeakPolarHBondContact CE1-CA 3.42Å; H162-A169 PolarHBondContact CE1-N 3.49Å; H162-A169 VanDerWaalsContact CE1-N 3.3Å; H162-A169 PolarHBondContact NE2-O 2.87Å; H162-E170 VanDerWaalsContact NE2-CA 3.26Å; H162-E170 WeakPolarHBondContact NE2-CA 3.28Å; H162-E170 PolarHBondContact NE2-N 3.18Å; H162-L171 VanDerWaalsContact NE2-CA 3.34Å; H162-L171 WeakPolarHBondContact NE2-CA 3.44Å; H162-L171 WeakPolarHBondContact NE2-CB 3.33Å; H162-L171 PolarHBondContact NE2-N 3.16Å |
| 163 | L | 74 | Confident | 71.9 | Confident | 50 Ų | 50 | 41 Ų | 41 | 26% | 0.262 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -85.2 | -24.4 | -179 | -75.9 | 173.3 | 0 | 0 | 0 | 113.2 | K159 F160 I161 N287 L288 V291 | K159-L163 HydrophobicContact CG-CD1 4.35Å; K159-L163 WeakPolarHBondContact O-CB 3.22Å; K159-L163 VanDerWaalsContact O-CG 3.26Å; K159-L163 WeakPolarHBondContact O-CG 3.22Å; K159-L163 PolarHBondContact O-N 3.07Å; F160-L163 PolarHBondContact O-N 2.86Å; I161-L163 VanDerWaalsContact C-N 3.27Å; I161-L163 PolarHBondContact O-N 2.84Å; L163-N287 HydrophobicContact CD1-CB 4.16Å; L163-N287 HydrophobicContact CD2-CB 4.16Å; L163-L288 HydrophobicContact CB-CD2 3.61Å; L163-L288 HydrophobicContact CB-CG 4.42Å; L163-L288 HydrophobicContact CD1-CD2 3.9Å; L163-L288 HydrophobicContact CG-CD2 4.42Å; L163-V291 HydrophobicContact CD1-CG2 3.72Å |
| 164 | S | 71.6 | Confident | 72 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.007 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -92.4 | -24.6 | 179 | -62.3 | 0 | 0 | 0 | 0 | 113.6 | F160 I161 A281 | F160-S164 WeakPolarHBondContact O-CB 3Å; F160-S164 PolarHBondContact O-N 3.43Å; F160-S164 PolarHBondContact O-OG 3.26Å; I161-S164 PolarHBondContact O-N 2.93Å; S164-A281 VanDerWaalsContact O-CB 3.27Å; S164-A281 WeakPolarHBondContact O-CB 3.46Å; S164-A281 PolarHBondContact O-N 2.92Å; S164-A281 VanDerWaalsContact O-N 3.14Å |
| 165 | Y | 69.6 | Low | 72.3 | Confident | 8 Ų | 8 | 44.2 Ų | 44.2 | 3% | 0.031 | 22% | 0.223 | C | C | . | . | trans | -132.2 | 106.9 | -178.5 | -53.9 | -71.7 | 0 | 0 | 0 | 111.3 | I161 E167 Y209 L271 P273 | I161-Y165 HydrophobicContact CG2-CD2 4.23Å; I161-Y165 PolarHBondContact O-N 2.71Å; Y165-E167 PolarHBondContact O-N 3.09Å; Y165-Y209 HydrophobicContact CD2-CD1 4.08Å; Y165-Y209 AromaticContact CD2-CE1 3.6Å; Y165-Y209 HydrophobicContact CD2-CE1 3.6Å; Y165-Y209 AromaticContact CE2-CD1 3.95Å; Y165-Y209 HydrophobicContact CE2-CD1 3.95Å; Y165-Y209 AromaticContact CE2-CE1 3.87Å; Y165-Y209 HydrophobicContact CE2-CE1 3.87Å; Y165-Y209 HydrophobicContact CG-CE1 4.2Å; Y165-L271 HydrophobicContact CE2-CD2 3.79Å; Y165-L271 HydrophobicContact CE2-CG 3.92Å; Y165-P273 HydrophobicContact CE1-CG 4.32Å; Y165-P273 WeakPolarHBondContact OH-CD 3.41Å | ||
| 166 | I | 55.3 | Low | 72.7 | Confident | 114 Ų | 114 | 40.4 Ų | 40.4 | 59% | 0.585 | 20% | 0.202 | S | C | * | . | G | 310 helix | trans | -62.6 | -25.8 | -175.1 | -77.9 | 158 | 0 | 0 | 0 | 113.6 | E168 A281 | I166-E168 PolarHBondContact O-N 2.55Å; I166-E168 VanDerWaalsContact O-N 3.1Å; I166-A281 HydrophobicContact CB-CB 4.45Å; I166-A281 HydrophobicContact CD1-CB 3.49Å; I166-A281 VanDerWaalsContact CD1-CB 3.49Å; I166-A281 HydrophobicContact CG1-CB 3.59Å |
| 167 | E | 54.8 | Low | 73 | Confident | 22 Ų | 22 | 40 Ų | 40 | 10% | 0.103 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -71.9 | -0.5 | -174.1 | -59.4 | -178.7 | -174.3 | 0 | 0 | 114.9 | Y165 R207 N279 R1090 | Y165-E167 PolarHBondContact O-N 3.09Å; E167-R207 IonicContact OE2-CZ 3.85Å; E167-R207 IonicContact OE2-NH1 3.99Å; E167-R207 IonicContact OE2-NH2 2.7Å; E167-R207 PolarHBondContact OE2-NH2 3.37Å; E167-N279 HydrophobicContact CG-CB 4.48Å; E167-N279 WeakPolarHBondContact OE1-CB 3.3Å; E167-N279 PolarHBondContact OE1-ND2 3.09Å; E167-R1090 WeakPolarHBondContact OE1-CD 3.1Å |
| 168 | E | 57.9 | Low | 73.3 | Confident | 14 Ų | 14 | 40.2 Ų | 40.2 | 7% | 0.065 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -123.8 | 30.3 | -164.8 | -81.7 | -67.3 | 161.1 | 0 | 0 | 112.8 | H162 I166 E170 L171 R207 Y209 | H162-E168 PolarHBondContact CE1-O 2.03Å; H162-E168 PolarHBondContact ND1-O 2.82Å; H162-E168 PolarHBondContact NE2-O 2.87Å; I166-E168 PolarHBondContact O-N 2.55Å; I166-E168 VanDerWaalsContact O-N 3.1Å; E168-E170 PolarHBondContact O-N 3.13Å; E168-L171 HydrophobicContact CB-CB 4.26Å; E168-L171 HydrophobicContact CG-CD1 4.43Å; E168-L171 PolarHBondContact O-N 2.04Å; E168-L171 WeakPolarHBondContact OE2-CB 3.36Å; E168-L171 VanDerWaalsContact OE2-CD1 3.22Å; E168-L171 WeakPolarHBondContact OE2-CD1 3.39Å; E168-R207 WeakPolarHBondContact OE1-CD 3.28Å; E168-R207 IonicContact OE1-CZ 3.92Å; E168-R207 IonicContact OE1-NE 3.07Å; E168-R207 IonicContact OE1-NH1 2.71Å; E168-R207 PolarHBondContact OE1-NH1 3.28Å; E168-Y209 VanDerWaalsContact CG-OH 3.3Å; E168-Y209 WeakPolarHBondContact CG-OH 3.44Å |
| 169 | A | 52.5 | Low | 73.8 | Confident | 67 Ų | 67 | 38.8 Ų | 38.8 | 55% | 0.554 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -16.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | H162 | H162-A169 VanDerWaalsContact CE1-C 3.44Å; H162-A169 WeakPolarHBondContact CE1-CA 3.42Å; H162-A169 PolarHBondContact CE1-N 3.49Å; H162-A169 VanDerWaalsContact CE1-N 3.3Å; H162-A169 PolarHBondContact NE2-O 2.87Å |
| 170 | E | 51.6 | Low | 74.3 | Confident | 144 Ų | 144 | 35.4 Ų | 35.4 | 67% | 0.673 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -119.5 | 27.6 | 173 | -62.7 | -153.8 | -178 | 0 | 0 | 115.5 | H162 E168 K172 | H162-E170 VanDerWaalsContact NE2-CA 3.26Å; H162-E170 WeakPolarHBondContact NE2-CA 3.28Å; H162-E170 PolarHBondContact NE2-N 3.18Å; E168-E170 PolarHBondContact O-N 3.13Å; E170-K172 PolarHBondContact O-N 3.32Å; E170-K172 IonicContact OE2-NZ 3.26Å; E170-K172 PolarHBondContact OE2-NZ 3.04Å |
| 171 | L | 62.5 | Low | 74.7 | Confident | 6 Ų | 6 | 35.4 Ų | 35.4 | 3% | 0.031 | 18% | 0.18 | C | C | . | . | trans | -52.2 | 96.8 | 172.3 | -173.8 | 97.3 | 0 | 0 | 0 | 112.3 | I158 I161 H162 E168 A173 N204 Y209 | I158-L171 HydrophobicContact CG1-CD2 4.42Å; I158-L171 HydrophobicContact CG2-CD2 4.35Å; I161-L171 HydrophobicContact CB-CD2 4.14Å; I161-L171 HydrophobicContact CD1-CD2 3.71Å; I161-L171 HydrophobicContact CG2-CD1 4.48Å; I161-L171 HydrophobicContact CG2-CD2 3.94Å; H162-L171 VanDerWaalsContact NE2-CA 3.34Å; H162-L171 WeakPolarHBondContact NE2-CA 3.44Å; H162-L171 WeakPolarHBondContact NE2-CB 3.33Å; H162-L171 PolarHBondContact NE2-N 3.16Å; E168-L171 HydrophobicContact CB-CB 4.26Å; E168-L171 HydrophobicContact CG-CD1 4.43Å; E168-L171 PolarHBondContact O-N 2.04Å; E168-L171 WeakPolarHBondContact OE2-CB 3.36Å; E168-L171 VanDerWaalsContact OE2-CD1 3.22Å; E168-L171 WeakPolarHBondContact OE2-CD1 3.39Å; L171-A173 PolarHBondContact O-N 3.39Å; L171-N204 HydrophobicContact CD1-CB 4.11Å; L171-Y209 HydrophobicContact CD1-CD2 4.34Å; L171-Y209 HydrophobicContact CD1-CE2 3.77Å | ||
| 172 | K | 70.2 | Confident | 75 | Confident | 144 Ų | 144 | 37.3 Ų | 37.3 | 63% | 0.626 | 19% | 0.189 | S | C | * | . | trans | -89.7 | 93.4 | 166.1 | -69.9 | 166.7 | -167.9 | 150.7 | 0 | 107.2 | E170 Q174 N204 | E170-K172 PolarHBondContact O-N 3.32Å; E170-K172 IonicContact OE2-NZ 3.26Å; E170-K172 PolarHBondContact OE2-NZ 3.04Å; K172-Q174 WeakPolarHBondContact O-CG 3.38Å; K172-Q174 PolarHBondContact O-N 3.47Å; K172-Q174 VanDerWaalsContact O-N 3.12Å; K172-N204 VanDerWaalsContact O-CB 3.29Å; K172-N204 WeakPolarHBondContact O-CB 3.31Å | ||
| 173 | A | 73.8 | Confident | 75.4 | Confident | 11 Ų | 11 | 38 Ų | 38 | 9% | 0.091 | 20% | 0.195 | C | C | . | . | trans | -53.5 | 120.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | L140 I158 L171 I202 | L140-A173 WeakPolarHBondContact CB-O 3.21Å; L140-A173 HydrophobicContact CD1-CB 3.55Å; L140-A173 VanDerWaalsContact CD1-O 3.24Å; L140-A173 WeakPolarHBondContact CD1-O 3.18Å; I158-A173 HydrophobicContact CD1-CB 3.7Å; I158-A173 HydrophobicContact CG1-CB 4.01Å; L171-A173 PolarHBondContact O-N 3.39Å; A173-I202 HydrophobicContact CB-CG2 3.62Å | ||
| 174 | Q | 81.4 | Confident | 76 | Confident | 77 Ų | 77 | 35.7 Ų | 35.7 | 36% | 0.36 | 18% | 0.183 | S | C | . | . | trans | -98.6 | -32 | 177.8 | -60.6 | -171.2 | 5.8 | 0 | 0 | 110.2 | L140 L141 K172 S203 N204 | L140-Q174 WeakPolarHBondContact CB-O 3.12Å; L140-Q174 PolarHBondContact N-O 3.15Å; L141-Q174 HydrophobicContact CD1-CB 4.16Å; L141-Q174 HydrophobicContact CD1-CG 4.32Å; L141-Q174 HydrophobicContact CD2-CB 4.36Å; L141-Q174 HydrophobicContact CD2-CG 4.06Å; L141-Q174 HydrophobicContact CG-CB 4.09Å; L141-Q174 HydrophobicContact CG-CG 4.3Å; K172-Q174 WeakPolarHBondContact O-CG 3.38Å; K172-Q174 PolarHBondContact O-N 3.47Å; K172-Q174 VanDerWaalsContact O-N 3.12Å; Q174-S203 PolarHBondContact N-O 2.86Å; Q174-N204 WeakPolarHBondContact CG-O 3.22Å; Q174-N204 PolarHBondContact NE2-O 3.5Å | ||
| 175 | Y | 87.2 | Confident | 76.4 | Confident | 10 Ų | 10 | 36.1 Ų | 36.1 | 4% | 0.039 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 140.9 | -171.2 | -164.7 | -126.8 | 0 | 0 | 0 | 112.1 | Q65 Y66 I68 E137 I138 V177 S203 | Q65-Y175 WeakPolarHBondContact CB-OH 3.4Å; Q65-Y175 PolarHBondContact N-OH 2.87Å; Y66-Y175 AromaticContact CD2-CD2 3.78Å; Y66-Y175 HydrophobicContact CD2-CD2 3.78Å; Y66-Y175 AromaticContact CD2-CE2 3.48Å; Y66-Y175 HydrophobicContact CD2-CE2 3.48Å; Y66-Y175 VanDerWaalsContact CD2-CE2 3.48Å; Y66-Y175 AromaticContact CD2-CZ 3.93Å; Y66-Y175 HydrophobicContact CE2-CE2 4.27Å; Y66-Y175 HydrophobicContact CG-CD2 4.49Å; Y66-Y175 HydrophobicContact CG-CE2 4.39Å; Y66-Y175 PolarHBondContact N-OH 2.85Å; Y66-Y175 WeakPolarHBondContact O-CE1 3.25Å; I68-Y175 HydrophobicContact CD1-CD1 3.82Å; I68-Y175 HydrophobicContact CD1-CE1 3.92Å; I68-Y175 HydrophobicContact CG1-CD1 3.79Å; I68-Y175 HydrophobicContact CG1-CE1 4.01Å; E137-Y175 HydrophobicContact CB-CE2 4.24Å; E137-Y175 WeakPolarHBondContact CB-OH 3.47Å; E137-Y175 PolarHBondContact OE2-OH 2.8Å; I138-Y175 WeakPolarHBondContact O-CA 3.1Å; I138-Y175 WeakPolarHBondContact O-CD2 3.42Å; Y175-V177 HydrophobicContact CD1-CG2 4.04Å; Y175-V177 HydrophobicContact CE1-CG2 3.38Å; Y175-S203 PolarHBondContact N-O 3.06Å; Y175-S203 PolarHBondContact O-N 3.16Å |
| 176 | I | 88.7 | Confident | 76.3 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 132.1 | 173.5 | -59.1 | -179.2 | 0 | 0 | 0 | 109.4 | E137 I138 L140 I154 I200 I201 I202 | E137-I176 WeakPolarHBondContact CA-O 3.1Å; I138-I176 HydrophobicContact CB-CB 4.37Å; I138-I176 PolarHBondContact N-O 3.46Å; I138-I176 PolarHBondContact O-N 3.36Å; L140-I176 HydrophobicContact CD1-CD1 3.86Å; L140-I176 HydrophobicContact CD1-CG1 3.94Å; I154-I176 HydrophobicContact CB-CD1 4.43Å; I154-I176 HydrophobicContact CD1-CD1 4.23Å; I154-I176 HydrophobicContact CG1-CD1 3.78Å; I154-I176 HydrophobicContact CG2-CD1 3.89Å; I176-I200 HydrophobicContact CG2-CG2 3.69Å; I176-I201 WeakPolarHBondContact CA-O 3.33Å; I176-I202 HydrophobicContact CD1-CD1 4.23Å; I176-I202 HydrophobicContact CD1-CG1 4.23Å; I176-I202 HydrophobicContact CG1-CB 4.45Å; I176-I202 HydrophobicContact CG1-CG1 4.09Å; I176-I202 HydrophobicContact CG1-CG2 4.21Å; I176-I202 HydrophobicContact CG2-CG1 4.41Å |
| 177 | V | 91.4 | Very high | 76.5 | Confident | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.006 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 117.3 | 168.3 | 174.4 | 0 | 0 | 0 | 0 | 108.1 | L64 I68 V135 E137 Y175 I179 I200 I201 | L64-V177 HydrophobicContact CD2-CG1 4.15Å; L64-V177 HydrophobicContact CD2-CG2 3.86Å; I68-V177 HydrophobicContact CD1-CB 4.04Å; I68-V177 HydrophobicContact CD1-CG2 3.45Å; I68-V177 VanDerWaalsContact CD1-CG2 3.45Å; V135-V177 HydrophobicContact CG1-CG1 4.34Å; E137-V177 HydrophobicContact CG-CG2 4.24Å; Y175-V177 HydrophobicContact CD1-CG2 4.04Å; Y175-V177 HydrophobicContact CE1-CG2 3.38Å; V177-I179 HydrophobicContact CG1-CD1 4.32Å; V177-I179 HydrophobicContact CG1-CG1 3.98Å; V177-I200 CarbonylContact O-C 3.52Å; V177-I200 WeakPolarHBondContact O-CA 3.46Å; V177-I201 PolarHBondContact N-O 2.72Å; V177-I201 PolarHBondContact O-N 2.74Å |
| 178 | H | 91.5 | Very high | 76.3 | Confident | 3 Ų | 3 | 40.5 Ų | 40.5 | 1% | 0.014 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 119.6 | 175 | 174.3 | -141.3 | 0 | 0 | 0 | 109.6 | F37 V135 T136 I200 | F37-H178 HydrophobicContact CD2-CB 4.06Å; F37-H178 AromaticContact CD2-ND1 3.73Å; F37-H178 HydrophobicContact CE2-CB 4.2Å; V135-H178 CarbonylContact C-O 3.6Å; V135-H178 WeakPolarHBondContact CA-O 3.06Å; T136-H178 PolarHBondContact N-O 3.1Å; T136-H178 PolarHBondContact O-N 3.49Å; H178-I200 HydrophobicContact CB-CG1 4.33Å; H178-I200 WeakPolarHBondContact CD2-CG1 3.36Å |
| 179 | I | 93.5 | Very high | 75.7 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 110 | 177.2 | -50.7 | 171.1 | 0 | 0 | 0 | 107.1 | I78 I80 L86 I133 R134 V135 V177 W181 G198 M199 | I78-I179 HydrophobicContact CD1-CD1 3.56Å; I80-I179 HydrophobicContact CD1-CD1 4.1Å; I80-I179 HydrophobicContact CD1-CG1 4.47Å; I80-I179 HydrophobicContact CD1-CG2 4.33Å; I80-I179 HydrophobicContact CG2-CG2 4.17Å; L86-I179 HydrophobicContact CD1-CD1 3.72Å; L86-I179 HydrophobicContact CD2-CD1 3.85Å; L86-I179 HydrophobicContact CG-CD1 4.46Å; I133-I179 HydrophobicContact CG2-CG2 4.15Å; R134-I179 WeakPolarHBondContact O-CA 3.09Å; V135-I179 HydrophobicContact CG1-CG1 4.4Å; V135-I179 HydrophobicContact CG2-CG2 4.44Å; V177-I179 HydrophobicContact CG1-CD1 4.32Å; V177-I179 HydrophobicContact CG1-CG1 3.98Å; I179-W181 HydrophobicContact CB-CH2 4.09Å; I179-W181 HydrophobicContact CB-CZ3 3.9Å; I179-W181 HydrophobicContact CG2-CD2 4.32Å; I179-W181 HydrophobicContact CG2-CE3 3.97Å; I179-W181 HydrophobicContact CG2-CH2 3.49Å; I179-W181 VanDerWaalsContact CG2-CH2 3.49Å; I179-W181 HydrophobicContact CG2-CZ2 3.84Å; I179-W181 HydrophobicContact CG2-CZ3 3.55Å; I179-W181 WeakPolarHBondContact O-CZ3 3.04Å; I179-G198 CarbonylContact O-C 3.56Å; I179-G198 VanDerWaalsContact O-CA 3.28Å; I179-G198 WeakPolarHBondContact O-CA 3.02Å; I179-M199 PolarHBondContact N-O 3.31Å; I179-M199 PolarHBondContact O-N 3.46Å |
| 180 | L | 92.1 | Very high | 75.6 | Confident | 10 Ų | 10 | 49.5 Ų | 49.5 | 5% | 0.052 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 120.7 | 178.8 | -176.6 | 69.1 | 0 | 0 | 0 | 109.6 | I133 R134 E182 T196 I215 | I133-L180 WeakPolarHBondContact CA-O 3.45Å; R134-L180 HydrophobicContact CB-CB 4.33Å; R134-L180 PolarHBondContact N-O 2.04Å; R134-L180 PolarHBondContact O-N 2.77Å; L180-E182 HydrophobicContact CD2-CB 4.41Å; L180-E182 HydrophobicContact CG-CB 4.36Å; L180-T196 HydrophobicContact CD1-CG2 4.16Å; L180-I215 HydrophobicContact CD1-CD1 3.96Å |
| 181 | W | 90.9 | Very high | 75.6 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 112.3 | 165.1 | -69.7 | -100.7 | 0 | 0 | 0 | 106.7 | I80 R81 L86 I121 I133 I179 M184 T196 Y197 M199 | I80-W181 HydrophobicContact CG2-CZ2 3.91Å; R81-W181 PolarHBondContact O-NE1 2.85Å; L86-W181 HydrophobicContact CD2-CH2 3.81Å; L86-W181 HydrophobicContact CD2-CZ2 3.9Å; L86-W181 HydrophobicContact CG-CH2 4.2Å; I121-W181 HydrophobicContact CG2-CE3 4.14Å; I121-W181 HydrophobicContact CG2-CH2 4.05Å; I121-W181 HydrophobicContact CG2-CZ3 3.73Å; I133-W181 HydrophobicContact CG1-CG 4.22Å; I179-W181 HydrophobicContact CB-CH2 4.09Å; I179-W181 HydrophobicContact CB-CZ3 3.9Å; I179-W181 HydrophobicContact CG2-CD2 4.32Å; I179-W181 HydrophobicContact CG2-CE3 3.97Å; I179-W181 HydrophobicContact CG2-CH2 3.49Å; I179-W181 VanDerWaalsContact CG2-CH2 3.49Å; I179-W181 HydrophobicContact CG2-CZ2 3.84Å; I179-W181 HydrophobicContact CG2-CZ3 3.55Å; I179-W181 WeakPolarHBondContact O-CZ3 3.04Å; W181-M184 HydrophobicContact CB-CG 3.66Å; W181-M184 HydrophobicContact CG-CG 4.35Å; W181-T196 VanDerWaalsContact O-CA 3.25Å; W181-T196 WeakPolarHBondContact O-CA 3.38Å; W181-Y197 HydrophobicContact CB-CD2 3.87Å; W181-Y197 HydrophobicContact CB-CE2 3.55Å; W181-Y197 HydrophobicContact CD2-CD2 4.06Å; W181-Y197 AromaticContact CD2-CE2 3.51Å; W181-Y197 HydrophobicContact CD2-CE2 3.51Å; W181-Y197 AromaticContact CE3-CD2 3.73Å; W181-Y197 HydrophobicContact CE3-CD2 3.73Å; W181-Y197 AromaticContact CE3-CE2 3.61Å; W181-Y197 HydrophobicContact CE3-CE2 3.61Å; W181-Y197 HydrophobicContact CG-CD2 4.16Å; W181-Y197 AromaticContact CG-CE2 3.5Å; W181-Y197 HydrophobicContact CG-CE2 3.5Å; W181-Y197 VanDerWaalsContact CG-CE2 3.5Å; W181-Y197 HydrophobicContact CZ3-CE2 4.4Å; W181-Y197 PolarHBondContact N-O 2.93Å; W181-Y197 PolarHBondContact O-N 3.01Å; W181-M199 HydrophobicContact CZ3-CB 4.03Å |
| 182 | E | 87.8 | Confident | 75.3 | Confident | 40 Ų | 40 | 55 Ų | 55 | 19% | 0.187 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 124.1 | -170.4 | -175.1 | -166.4 | -172.3 | 0 | 0 | 110.5 | G131 R132 R134 L180 M184 | G131-E182 CarbonylContact C-O 3.54Å; G131-E182 WeakPolarHBondContact CA-O 3.39Å; R132-E182 HydrophobicContact CB-CB 4.42Å; R132-E182 IonicContact CZ-OE1 3Å; R132-E182 IonicContact CZ-OE2 3.1Å; R132-E182 VanDerWaalsContact CZ-OE2 3.26Å; R132-E182 PolarHBondContact N-O 2.82Å; R132-E182 IonicContact NE-OE2 2.82Å; R132-E182 PolarHBondContact NE-OE2 3.25Å; R132-E182 IonicContact NH2-OE1 2.66Å; R132-E182 PolarHBondContact NH2-OE1 2.83Å; R132-E182 IonicContact NH2-OE2 3.34Å; R132-E182 PolarHBondContact NH2-OE2 3.45Å; R132-E182 PolarHBondContact O-N 3.39Å; R134-E182 WeakPolarHBondContact CD-OE2 3.29Å; L180-E182 HydrophobicContact CD2-CB 4.41Å; L180-E182 HydrophobicContact CG-CB 4.36Å; E182-M184 PolarHBondContact O-N 2.77Å; E182-M184 VanDerWaalsContact O-N 3.14Å |
| 183 | N | 86.3 | Confident | 75.2 | Confident | 77 Ų | 77 | 50.8 Ų | 50.8 | 41% | 0.412 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 49.2 | 36.1 | -178.7 | -63.9 | -27.4 | 0 | 0 | 0 | 113.7 | G131 T185 A194 N195 T196 | G131-N183 WeakPolarHBondContact CA-O 3.12Å; N183-T185 PolarHBondContact O-N 2.83Å; N183-A194 HydrophobicContact CB-CB 4.44Å; N183-N195 PolarHBondContact N-O 3.27Å; N183-T196 PolarHBondContact N-OG1 3.02Å; N183-T196 PolarHBondContact OD1-OG1 2.9Å |
| 184 | M | 85.9 | Confident | 75.4 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 115.9 | 176 | -61.8 | -54.2 | -69.6 | 0 | 0 | 108.8 | Y51 K82 N126 R132 I133 W181 E182 N195 | Y51-M184 HydrophobicContact CD2-CE 4.11Å; Y51-M184 HydrophobicContact CE2-CE 3.87Å; K82-M184 HydrophobicContact CG-CE 3.6Å; K82-M184 WeakPolarHBondContact O-CE 3.02Å; N126-M184 HydrophobicContact CB-CB 4.2Å; N126-M184 VanDerWaalsContact CG-CB 3.4Å; N126-M184 WeakPolarHBondContact ND2-CB 3.38Å; N126-M184 PolarHBondContact OD1-O 3.41Å; R132-M184 PolarHBondContact N-SD 3.15Å; R132-M184 VanDerWaalsContact N-SD 3.42Å; I133-M184 HydrophobicContact CD1-CE 4.29Å; I133-M184 HydrophobicContact CG1-CE 4.24Å; I133-M184 HydrophobicContact CG1-SD 4.11Å; W181-M184 HydrophobicContact CB-CG 3.66Å; W181-M184 HydrophobicContact CG-CG 4.35Å; E182-M184 PolarHBondContact O-N 2.77Å; E182-M184 VanDerWaalsContact O-N 3.14Å; M184-N195 PolarHBondContact N-O 2.79Å; M184-N195 PolarHBondContact O-N 2.04Å |
| 185 | T | 78.8 | Confident | 75.4 | Confident | 10 Ų | 10 | 47.4 Ų | 47.4 | 6% | 0.061 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 152.9 | -177.2 | 49.7 | 0 | 0 | 0 | 0 | 111.9 | G128 S130 N183 Q192 K193 | G128-T185 WeakPolarHBondContact CA-O 3.2Å; G128-T185 PolarHBondContact N-O 3Å; S130-T185 PolarHBondContact N-OG1 3.08Å; S130-T185 VanDerWaalsContact N-OG1 3.13Å; S130-T185 PolarHBondContact O-N 3.15Å; S130-T185 PolarHBondContact O-OG1 3.29Å; S130-T185 VanDerWaalsContact OG-CG2 3.3Å; S130-T185 WeakPolarHBondContact OG-CG2 3.34Å; S130-T185 PolarHBondContact OG-OG1 2.95Å; N183-T185 PolarHBondContact O-N 2.83Å; T185-Q192 HydrophobicContact CG2-CB 4.27Å; T185-K193 WeakPolarHBondContact CA-O 3.02Å |
| 186 | N | 68.2 | Low | 75.4 | Confident | 17 Ų | 17 | 47.3 Ų | 47.3 | 9% | 0.091 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -92.4 | 142 | 166 | -167.2 | -79.9 | 0 | 0 | 0 | 109 | V125 D127 K193 N220 | V125-N186 PolarHBondContact O-ND2 3.18Å; D127-N186 WeakPolarHBondContact OD1-CA 3.43Å; N186-K193 PolarHBondContact N-O 2.87Å; N186-N220 PolarHBondContact OD1-ND2 3.03Å |
| 187 | A | 60.3 | Low | 75.5 | Confident | 29 Ų | 29 | 47.3 Ų | 47.3 | 24% | 0.24 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -87.5 | 158 | 173 | 0 | 0 | 0 | 0 | 0 | 110.1 | D127 N220 | D127-A187 PolarHBondContact OD1-N 2.86Å; D127-A187 VanDerWaalsContact OD2-CB 3.29Å; D127-A187 WeakPolarHBondContact OD2-CB 3.44Å; A187-N220 PolarHBondContact O-ND2 3.35Å |
| 188 | Y | 50.9 | Low | 75.4 | Confident | 189 Ų | 189 | 47.2 Ų | 47.2 | 74% | 0.741 | 24% | 0.236 | S | C | * | . | S | Bend | trans | 75.4 | 119.4 | -171.8 | -64.5 | -96.6 | 0 | 0 | 0 | 116.1 | N220 | Y188-N220 PolarHBondContact O-ND2 3.34Š|
| 189 | L | 44.8 | Very low | 75.4 | Confident | 105 Ų | 105 | 47.1 Ų | 47.1 | 55% | 0.55 | 24% | 0.235 | S | C | . | . | S | Bend | trans | 83.3 | 91.6 | 159.4 | -62.4 | 153.6 | 0 | 0 | 0 | 118.6 | N191 N222 | L189-N191 VanDerWaalsContact C-N 3.26Å; L189-N191 PolarHBondContact O-N 3.01Å; L189-N222 WeakPolarHBondContact CD1-ND2 3.48Å |
| 190 | I | 49.8 | Very low | 75.4 | Confident | 165 Ų | 165 | 47.1 Ų | 47.1 | 85% | 0.846 | 24% | 0.235 | S | C | * | . | S | Bend | trans | 65.4 | -48.1 | 143.1 | -54.1 | 177.8 | 0 | 0 | 0 | 117.6 | ||
| 191 | N | 51.4 | Low | 75.5 | Confident | 121 Ų | 121 | 46.8 Ų | 46.8 | 65% | 0.647 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -113 | 108.9 | 173.2 | -65.4 | -29 | 0 | 0 | 0 | 107.7 | L189 K193 | L189-N191 VanDerWaalsContact C-N 3.26Å; L189-N191 PolarHBondContact O-N 3.01Å; N191-K193 VanDerWaalsContact C-N 3.31Å; N191-K193 PolarHBondContact O-N 3.43Å |
| 192 | Q | 55.8 | Low | 75.4 | Confident | 146 Ų | 146 | 46.8 Ų | 46.8 | 68% | 0.682 | 23% | 0.233 | S | C | * | . | trans | -65.8 | 93.4 | 172.9 | -74.2 | -176 | -59 | 0 | 0 | 109.5 | S130 T185 | S130-Q192 PolarHBondContact OG-NE2 3.22Å; T185-Q192 HydrophobicContact CG2-CB 4.27Å | ||
| 193 | K | 68.4 | Low | 75.5 | Confident | 54 Ų | 54 | 45 Ų | 45 | 24% | 0.235 | 23% | 0.225 | C | C | . | . | trans | -68.8 | 139.3 | 168.1 | -72.6 | 179.7 | 177.5 | 176.2 | 0 | 109.2 | T185 N186 N191 E218 W219 | T185-K193 WeakPolarHBondContact CA-O 3.02Å; N186-K193 PolarHBondContact N-O 2.87Å; N191-K193 VanDerWaalsContact C-N 3.31Å; N191-K193 PolarHBondContact O-N 3.43Å; K193-E218 WeakPolarHBondContact CA-OE2 3.4Å; K193-E218 HydrophobicContact CB-CB 3.75Å; K193-E218 HydrophobicContact CD-CB 4.12Å; K193-E218 HydrophobicContact CG-CB 4.05Å; K193-W219 WeakPolarHBondContact CD-O 3.27Å; K193-W219 WeakPolarHBondContact CE-O 3.38Å; K193-W219 PolarHBondContact NZ-O 2.97Å | ||
| 194 | A | 77.7 | Confident | 75.3 | Confident | 17 Ų | 17 | 42.3 Ų | 42.3 | 14% | 0.14 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 119 | -170.5 | 0 | 0 | 0 | 0 | 0 | 111 | N183 E218 | N183-A194 HydrophobicContact CB-CB 4.44Å; A194-E218 PolarHBondContact N-OE2 3Å |
| 195 | N | 82.7 | Confident | 74.9 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 134.9 | 179.7 | -61.8 | -62 | 0 | 0 | 0 | 110.7 | V125 N126 N183 M184 Y197 Q216 V217 E218 | V125-N195 PolarHBondContact O-ND2 3.35Å; V125-N195 VanDerWaalsContact O-ND2 3.17Å; N126-N195 WeakPolarHBondContact OD1-CB 3.04Å; N126-N195 PolarHBondContact OD1-ND2 3.12Å; N183-N195 PolarHBondContact N-O 3.27Å; M184-N195 PolarHBondContact N-O 2.79Å; M184-N195 PolarHBondContact O-N 2.04Å; N195-Y197 HydrophobicContact CB-CD1 4.3Å; N195-Y197 HydrophobicContact CB-CE1 4.2Å; N195-Q216 CarbonylContact C-O 3.55Å; N195-Q216 WeakPolarHBondContact CA-O 3.25Å; N195-V217 WeakPolarHBondContact OD1-CA 3.25Å; N195-E218 PolarHBondContact OD1-N 3.15Å |
| 196 | T | 87.2 | Confident | 74.7 | Confident | 8 Ų | 8 | 49.3 Ų | 49.3 | 5% | 0.049 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 123 | 169.6 | -62.1 | 0 | 0 | 0 | 0 | 109.5 | L180 W181 N183 I215 Q216 | L180-T196 HydrophobicContact CD1-CG2 4.16Å; W181-T196 VanDerWaalsContact O-CA 3.25Å; W181-T196 WeakPolarHBondContact O-CA 3.38Å; N183-T196 PolarHBondContact N-OG1 3.02Å; N183-T196 PolarHBondContact OD1-OG1 2.9Å; T196-I215 HydrophobicContact CG2-CB 4.04Å; T196-I215 HydrophobicContact CG2-CD1 4.26Å; T196-I215 HydrophobicContact CG2-CG2 4.18Å; T196-I215 WeakPolarHBondContact O-CA 3.44Å; T196-I215 WeakPolarHBondContact O-CB 3.25Å; T196-I215 PolarHBondContact O-N 2.84Å; T196-Q216 PolarHBondContact N-O 3.45Å; T196-Q216 PolarHBondContact O-N 3.13Å |
| 197 | Y | 89.3 | Confident | 75.3 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 154.4 | 176.9 | 53.9 | -109.5 | 0 | 0 | 0 | 110.6 | N83 G84 I121 F122 N126 W181 N195 Q213 | N83-Y197 PolarHBondContact O-OH 2.88Å; G84-Y197 WeakPolarHBondContact CA-OH 3.42Å; G84-Y197 PolarHBondContact N-OH 2.98Å; I121-Y197 HydrophobicContact CB-CD2 4.42Å; I121-Y197 HydrophobicContact CD1-CD2 3.96Å; I121-Y197 HydrophobicContact CD1-CG 4.38Å; I121-Y197 HydrophobicContact CG1-CD2 4.02Å; I121-Y197 HydrophobicContact CG1-CG 4.43Å; I121-Y197 HydrophobicContact CG2-CD2 3.55Å; I121-Y197 HydrophobicContact CG2-CE2 3.49Å; I121-Y197 VanDerWaalsContact CG2-CE2 3.49Å; F122-Y197 HydrophobicContact CB-CD1 4.31Å; F122-Y197 HydrophobicContact CB-CE1 3.73Å; F122-Y197 HydrophobicContact CB-CE2 4.3Å; F122-Y197 HydrophobicContact CD1-CD1 4.23Å; F122-Y197 AromaticContact CD1-CE1 3.76Å; F122-Y197 HydrophobicContact CD1-CE1 3.76Å; F122-Y197 HydrophobicContact CG-CD1 4.46Å; F122-Y197 HydrophobicContact CG-CE1 4.09Å; N126-Y197 WeakPolarHBondContact ND2-CE1 3.3Å; N126-Y197 VanDerWaalsContact ND2-CZ 3.26Å; N126-Y197 PolarHBondContact ND2-OH 2.8Å; W181-Y197 HydrophobicContact CB-CD2 3.87Å; W181-Y197 HydrophobicContact CB-CE2 3.55Å; W181-Y197 HydrophobicContact CD2-CD2 4.06Å; W181-Y197 AromaticContact CD2-CE2 3.51Å; W181-Y197 HydrophobicContact CD2-CE2 3.51Å; W181-Y197 AromaticContact CE3-CD2 3.73Å; W181-Y197 HydrophobicContact CE3-CD2 3.73Å; W181-Y197 AromaticContact CE3-CE2 3.61Å; W181-Y197 HydrophobicContact CE3-CE2 3.61Å; W181-Y197 HydrophobicContact CG-CD2 4.16Å; W181-Y197 AromaticContact CG-CE2 3.5Å; W181-Y197 HydrophobicContact CG-CE2 3.5Å; W181-Y197 VanDerWaalsContact CG-CE2 3.5Å; W181-Y197 HydrophobicContact CZ3-CE2 4.4Å; W181-Y197 PolarHBondContact N-O 2.93Å; W181-Y197 PolarHBondContact O-N 3.01Å; N195-Y197 HydrophobicContact CB-CD1 4.3Å; N195-Y197 HydrophobicContact CB-CE1 4.2Å; Y197-Q213 CarbonylContact C-O 3.46Å; Y197-Q213 WeakPolarHBondContact CA-O 3.44Å; Y197-Q213 WeakPolarHBondContact CB-O 3.39Å |
| 198 | G | 89.8 | Confident | 76.6 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 138.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | I121 I179 Q213 | I121-G198 VanDerWaalsContact CD1-C 3.43Å; I121-G198 WeakPolarHBondContact CD1-O 3.47Å; I179-G198 CarbonylContact O-C 3.56Å; I179-G198 VanDerWaalsContact O-CA 3.28Å; I179-G198 WeakPolarHBondContact O-CA 3.02Å; G198-Q213 PolarHBondContact N-O 3.05Å; G198-Q213 PolarHBondContact O-N 3.26Å |
| 199 | M | 92.6 | Very high | 78.5 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 124.8 | 169 | -168.2 | -178 | -62.9 | 0 | 0 | 109.3 | L86 L119 I121 I179 W181 I201 F211 M212 | L86-M199 HydrophobicContact CD1-CE 4.1Å; L86-M199 HydrophobicContact CD1-SD 3.53Å; L86-M199 VanDerWaalsContact CD1-SD 3.53Å; L119-M199 HydrophobicContact CB-CE 4Å; L119-M199 HydrophobicContact CB-SD 4.15Å; L119-M199 HydrophobicContact CD1-SD 4.17Å; I121-M199 HydrophobicContact CB-CE 3.83Å; I121-M199 HydrophobicContact CD1-CB 4.47Å; I121-M199 HydrophobicContact CG2-CE 4.19Å; I179-M199 PolarHBondContact N-O 3.31Å; I179-M199 PolarHBondContact O-N 3.46Å; W181-M199 HydrophobicContact CZ3-CB 4.03Å; M199-I201 HydrophobicContact CG-CG1 4.41Å; M199-I201 HydrophobicContact SD-CD1 4.4Å; M199-I201 HydrophobicContact SD-CG1 4.44Å; M199-F211 CarbonylContact C-O 3.59Å; M199-F211 WeakPolarHBondContact CA-O 3.23Å; M199-M212 HydrophobicContact CE-CE 4.31Å; M199-M212 HydrophobicContact CE-CG 4.47Å |
| 200 | I | 92.5 | Very high | 80.7 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 116.4 | 177.1 | -54.3 | 157 | 0 | 0 | 0 | 107.8 | F35 L157 I176 V177 H178 I202 A210 F211 | F35-I200 HydrophobicContact CB-CD1 3.72Å; F35-I200 HydrophobicContact CD1-CD1 3.44Å; F35-I200 VanDerWaalsContact CD1-CD1 3.44Å; F35-I200 HydrophobicContact CD1-CG1 4.18Å; F35-I200 HydrophobicContact CE1-CD1 4.08Å; F35-I200 HydrophobicContact CE1-CG1 4.5Å; F35-I200 HydrophobicContact CE1-CG2 4.48Å; F35-I200 HydrophobicContact CG-CD1 3.76Å; L157-I200 HydrophobicContact CD1-CD1 4.03Å; L157-I200 HydrophobicContact CD1-CG2 4.25Å; I176-I200 HydrophobicContact CG2-CG2 3.69Å; V177-I200 CarbonylContact O-C 3.52Å; V177-I200 WeakPolarHBondContact O-CA 3.46Å; H178-I200 HydrophobicContact CB-CG1 4.33Å; H178-I200 WeakPolarHBondContact CD2-CG1 3.36Å; I200-I202 HydrophobicContact CG2-CG1 3.99Å; I200-A210 CarbonylContact O-C 3.6Å; I200-A210 WeakPolarHBondContact O-CA 3.28Å; I200-F211 HydrophobicContact CB-CB 4.24Å; I200-F211 HydrophobicContact CD1-CB 4.46Å; I200-F211 PolarHBondContact N-O 2.92Å; I200-F211 PolarHBondContact O-N 3.05Å |
| 201 | I | 93.4 | Very high | 82.6 | Confident | 3 Ų | 3 | 26.2 Ų | 26.2 | 2% | 0.015 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 112.6 | 174.2 | -55 | 175.8 | 0 | 0 | 0 | 107.9 | I68 I70 L119 I176 V177 M199 Y209 L274 | I68-I201 HydrophobicContact CD1-CB 4.49Å; I68-I201 HydrophobicContact CD1-CG2 4.08Å; I68-I201 HydrophobicContact CG2-CG2 3.9Å; I70-I201 HydrophobicContact CD1-CD1 4.36Å; L119-I201 HydrophobicContact CD1-CD1 4.25Å; I176-I201 WeakPolarHBondContact CA-O 3.33Å; V177-I201 PolarHBondContact N-O 2.72Å; V177-I201 PolarHBondContact O-N 2.74Å; M199-I201 HydrophobicContact CG-CG1 4.41Å; M199-I201 HydrophobicContact SD-CD1 4.4Å; M199-I201 HydrophobicContact SD-CG1 4.44Å; I201-Y209 CarbonylContact C-O 3.58Å; I201-Y209 WeakPolarHBondContact CA-O 3.41Å; I201-L274 HydrophobicContact CD1-CD1 4.32Å; I201-L274 HydrophobicContact CG1-CD1 4.24Å; I201-L274 HydrophobicContact CG2-CD1 3.74Å |
| 202 | I | 90.6 | Very high | 84.4 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 130.3 | 174.2 | -56 | -169.2 | 0 | 0 | 0 | 108.3 | L157 I161 A173 I176 I200 S208 Y209 F211 | L157-I202 HydrophobicContact CB-CD1 3.57Å; L157-I202 HydrophobicContact CD1-CD1 3.84Å; L157-I202 HydrophobicContact CG-CD1 4.37Å; I161-I202 HydrophobicContact CD1-CB 4.31Å; I161-I202 HydrophobicContact CD1-CD1 4.31Å; I161-I202 HydrophobicContact CD1-CG2 4.29Å; A173-I202 HydrophobicContact CB-CG2 3.62Å; I176-I202 HydrophobicContact CD1-CD1 4.23Å; I176-I202 HydrophobicContact CD1-CG1 4.23Å; I176-I202 HydrophobicContact CG1-CB 4.45Å; I176-I202 HydrophobicContact CG1-CG1 4.09Å; I176-I202 HydrophobicContact CG1-CG2 4.21Å; I176-I202 HydrophobicContact CG2-CG1 4.41Å; I200-I202 HydrophobicContact CG2-CG1 3.99Å; I202-S208 CarbonylContact O-C 3.53Å; I202-S208 VanDerWaalsContact O-CA 3.23Å; I202-S208 WeakPolarHBondContact O-CA 3.3Å; I202-Y209 PolarHBondContact N-O 3.36Å; I202-Y209 PolarHBondContact O-N 3.39Å; I202-F211 HydrophobicContact CD1-CD2 4.29Å; I202-F211 HydrophobicContact CD1-CE2 3.91Å; I202-F211 HydrophobicContact CG1-CE2 4.47Å |
| 203 | S | 89 | Confident | 86 | Confident | 2 Ų | 2 | 13.5 Ų | 13.5 | 1% | 0.014 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 144.2 | 177.6 | -168 | 0 | 0 | 0 | 0 | 112.6 | P69 Q174 Y175 G205 R207 S208 | P69-S203 WeakPolarHBondContact CD-OG 3.14Å; Q174-S203 PolarHBondContact N-O 2.86Å; Y175-S203 PolarHBondContact N-O 3.06Å; Y175-S203 PolarHBondContact O-N 3.16Å; S203-G205 PolarHBondContact OG-N 2.95Å; S203-G205 VanDerWaalsContact OG-N 3.11Å; S203-R207 WeakPolarHBondContact CA-O 3.39Å; S203-R207 PolarHBondContact OG-O 3.13Å; S203-S208 WeakPolarHBondContact CB-OG 3.41Å; S203-S208 PolarHBondContact OG-OG 2.93Å |
| 204 | N | 82.6 | Confident | 86.8 | Confident | 21 Ų | 21 | 11 Ų | 11 | 11% | 0.112 | 7% | 0.068 | C | C | . | . | trans | -95.9 | 9.3 | 167.4 | 69.4 | 7.5 | 0 | 0 | 0 | 112.4 | L171 K172 Q174 I206 R207 | L171-N204 HydrophobicContact CD1-CB 4.11Å; K172-N204 VanDerWaalsContact O-CB 3.29Å; K172-N204 WeakPolarHBondContact O-CB 3.31Å; Q174-N204 WeakPolarHBondContact CG-O 3.22Å; Q174-N204 PolarHBondContact NE2-O 3.5Å; N204-I206 VanDerWaalsContact C-N 3.32Å; N204-I206 WeakPolarHBondContact OD1-CA 3.41Å; N204-I206 WeakPolarHBondContact OD1-CB 3.06Å; N204-I206 PolarHBondContact OD1-N 2.92Å; N204-R207 PolarHBondContact N-O 2.94Å; N204-R207 PolarHBondContact OD1-N 2.96Å; N204-R207 PolarHBondContact OD1-O 3Å | ||
| 205 | G | 76.5 | Confident | 87 | Confident | 38 Ų | 38 | 11.3 Ų | 11.3 | 39% | 0.392 | 7% | 0.067 | S | C | . | . | S | Bend | trans | 86.9 | -9.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | S203 | S203-G205 PolarHBondContact OG-N 2.95Å; S203-G205 VanDerWaalsContact OG-N 3.11Å |
| 206 | I | 75.1 | Confident | 86.9 | Confident | 120 Ų | 120 | 15.3 Ų | 15.3 | 62% | 0.615 | 9% | 0.086 | S | C | * | . | S | Bend | trans | -122 | -45.7 | -179.5 | -54.2 | 175.4 | 0 | 0 | 0 | 111 | P69 N204 | P69-I206 WeakPolarHBondContact CB-O 3.17Å; P69-I206 VanDerWaalsContact CG-C 3.43Å; P69-I206 VanDerWaalsContact CG-O 3.28Å; P69-I206 WeakPolarHBondContact CG-O 3.3Å; N204-I206 VanDerWaalsContact C-N 3.32Å; N204-I206 WeakPolarHBondContact OD1-CA 3.41Å; N204-I206 WeakPolarHBondContact OD1-CB 3.06Å; N204-I206 PolarHBondContact OD1-N 2.92Å |
| 207 | R | 81 | Confident | 86.5 | Confident | 20 Ų | 20 | 15.3 Ų | 15.3 | 8% | 0.075 | 9% | 0.085 | C | C | . | . | trans | -121.8 | 156.1 | 177.3 | -77.7 | 168.2 | 159 | -173.5 | -11.2 | 110.2 | E167 E168 S203 N204 Y209 Y275 S1078 | E167-R207 IonicContact OE2-CZ 3.85Å; E167-R207 IonicContact OE2-NH1 3.99Å; E167-R207 IonicContact OE2-NH2 2.7Å; E167-R207 PolarHBondContact OE2-NH2 3.37Å; E168-R207 WeakPolarHBondContact OE1-CD 3.28Å; E168-R207 IonicContact OE1-CZ 3.92Å; E168-R207 IonicContact OE1-NE 3.07Å; E168-R207 IonicContact OE1-NH1 2.71Å; E168-R207 PolarHBondContact OE1-NH1 3.28Å; S203-R207 WeakPolarHBondContact CA-O 3.39Å; S203-R207 PolarHBondContact OG-O 3.13Å; N204-R207 PolarHBondContact N-O 2.94Å; N204-R207 PolarHBondContact OD1-N 2.96Å; N204-R207 PolarHBondContact OD1-O 3Å; R207-Y209 HydrophobicContact CB-CE2 4.37Å; R207-Y275 HydrophobicContact CG-CD1 4.49Å; R207-S1078 VanDerWaalsContact NH2-C 3.28Å; R207-S1078 PolarHBondContact NH2-O 2.71Å | ||
| 208 | S | 88.4 | Confident | 85.8 | Confident | 1 Ų | 1 | 18.4 Ų | 18.4 | 1% | 0.007 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 151.3 | 178.8 | -51.2 | 0 | 0 | 0 | 0 | 112.5 | I68 P69 I202 S203 L274 | I68-S208 WeakPolarHBondContact CG2-OG 3.03Å; P69-S208 WeakPolarHBondContact O-CB 3.46Å; P69-S208 PolarHBondContact O-OG 2.94Å; I202-S208 CarbonylContact O-C 3.53Å; I202-S208 VanDerWaalsContact O-CA 3.23Å; I202-S208 WeakPolarHBondContact O-CA 3.3Å; S203-S208 WeakPolarHBondContact CB-OG 3.41Å; S203-S208 PolarHBondContact OG-OG 2.93Å; S208-L274 WeakPolarHBondContact O-CB 3.13Å; S208-L274 PolarHBondContact O-N 2.79Å |
| 209 | Y | 89.4 | Confident | 84.7 | Confident | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 133.9 | -178 | -62.3 | -90.7 | 0 | 0 | 0 | 109.4 | I161 Y165 E168 L171 I201 I202 R207 L271 P273 Y275 | I161-Y209 HydrophobicContact CD1-CD2 3.84Å; I161-Y209 HydrophobicContact CD1-CG 3.86Å; I161-Y209 HydrophobicContact CG1-CD1 4.35Å; I161-Y209 HydrophobicContact CG1-CD2 4.37Å; I161-Y209 HydrophobicContact CG1-CG 4.06Å; I161-Y209 HydrophobicContact CG2-CD1 4.09Å; I161-Y209 HydrophobicContact CG2-CD2 4.04Å; I161-Y209 HydrophobicContact CG2-CE1 3.89Å; I161-Y209 HydrophobicContact CG2-CE2 3.85Å; I161-Y209 HydrophobicContact CG2-CG 4.19Å; Y165-Y209 HydrophobicContact CD2-CD1 4.08Å; Y165-Y209 AromaticContact CD2-CE1 3.6Å; Y165-Y209 HydrophobicContact CD2-CE1 3.6Å; Y165-Y209 AromaticContact CE2-CD1 3.95Å; Y165-Y209 HydrophobicContact CE2-CD1 3.95Å; Y165-Y209 AromaticContact CE2-CE1 3.87Å; Y165-Y209 HydrophobicContact CE2-CE1 3.87Å; Y165-Y209 HydrophobicContact CG-CE1 4.2Å; E168-Y209 VanDerWaalsContact CG-OH 3.3Å; E168-Y209 WeakPolarHBondContact CG-OH 3.44Å; L171-Y209 HydrophobicContact CD1-CD2 4.34Å; L171-Y209 HydrophobicContact CD1-CE2 3.77Å; I201-Y209 CarbonylContact C-O 3.58Å; I201-Y209 WeakPolarHBondContact CA-O 3.41Å; I202-Y209 PolarHBondContact N-O 3.36Å; I202-Y209 PolarHBondContact O-N 3.39Å; R207-Y209 HydrophobicContact CB-CE2 4.37Å; Y209-L271 HydrophobicContact CD1-CD1 4.35Å; Y209-P273 HydrophobicContact CD1-CB 4.25Å; Y209-P273 HydrophobicContact CE1-CB 4.18Å; Y209-Y275 HydrophobicContact CD1-CE1 4.36Å; Y209-Y275 AromaticContact CE1-CE1 3.57Å; Y209-Y275 HydrophobicContact CE1-CE1 3.57Å; Y209-Y275 HydrophobicContact CE2-CE1 4.38Å; Y209-Y275 AromaticContact CZ-CE1 3.55Å; Y209-Y275 WeakPolarHBondContact OH-CE1 3.49Å; Y209-Y275 PolarHBondContact OH-OH 2.92Å |
| 210 | A | 91.1 | Very high | 83.1 | Confident | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 125.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | I200 M212 L271 V272 L274 | I200-A210 CarbonylContact O-C 3.6Å; I200-A210 WeakPolarHBondContact O-CA 3.28Å; A210-M212 HydrophobicContact CB-CE 4.45Å; A210-L271 WeakPolarHBondContact O-CA 3.39Å; A210-V272 PolarHBondContact N-O 2.8Å; A210-V272 PolarHBondContact O-N 3.05Å; A210-L274 HydrophobicContact CB-CD1 4.09Å; A210-L274 HydrophobicContact CB-CD2 3.8Å; A210-L274 HydrophobicContact CB-CG 3.95Å |
| 211 | F | 90.6 | Very high | 81.3 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 126.5 | 157.2 | -66.7 | -97.4 | 0 | 0 | 0 | 109 | L157 F160 I161 M199 I200 I202 I264 E269 W270 L271 | L157-F211 HydrophobicContact CB-CE2 3.9Å; L157-F211 HydrophobicContact CB-CZ 3.94Å; L157-F211 HydrophobicContact CD1-CD2 4.38Å; L157-F211 HydrophobicContact CD1-CE2 4.48Å; L157-F211 HydrophobicContact CD2-CD1 3.91Å; L157-F211 HydrophobicContact CD2-CD2 4.27Å; L157-F211 HydrophobicContact CD2-CE1 3.75Å; L157-F211 HydrophobicContact CD2-CE2 4.13Å; L157-F211 HydrophobicContact CD2-CG 4.17Å; L157-F211 HydrophobicContact CD2-CZ 3.86Å; L157-F211 HydrophobicContact CG-CE2 4.39Å; L157-F211 HydrophobicContact CG-CZ 4.43Å; F160-F211 HydrophobicContact CB-CE1 4.24Å; F160-F211 HydrophobicContact CB-CZ 4.19Å; F160-F211 HydrophobicContact CD2-CE1 4.12Å; I161-F211 HydrophobicContact CD1-CE2 4.02Å; I161-F211 HydrophobicContact CD1-CZ 4.43Å; I161-F211 HydrophobicContact CG1-CE2 4.04Å; I161-F211 HydrophobicContact CG1-CZ 3.99Å; M199-F211 CarbonylContact C-O 3.59Å; M199-F211 WeakPolarHBondContact CA-O 3.23Å; I200-F211 HydrophobicContact CB-CB 4.24Å; I200-F211 HydrophobicContact CD1-CB 4.46Å; I200-F211 PolarHBondContact N-O 2.92Å; I200-F211 PolarHBondContact O-N 3.05Å; I202-F211 HydrophobicContact CD1-CD2 4.29Å; I202-F211 HydrophobicContact CD1-CE2 3.91Å; I202-F211 HydrophobicContact CG1-CE2 4.47Å; F211-I264 HydrophobicContact CD1-CD1 3.83Å; F211-I264 HydrophobicContact CE1-CD1 3.65Å; F211-E269 HydrophobicContact CD1-CG 4.16Å; F211-W270 CarbonylContact C-O 3.52Å; F211-W270 WeakPolarHBondContact CA-O 3.29Å; F211-L271 HydrophobicContact CD1-CB 4.12Å; F211-L271 HydrophobicContact CD1-CD1 4.15Å; F211-L271 HydrophobicContact CD2-CD1 4.05Å; F211-L271 HydrophobicContact CE1-CB 3.96Å; F211-L271 HydrophobicContact CE1-CD1 3.84Å; F211-L271 HydrophobicContact CE1-CD2 3.99Å; F211-L271 HydrophobicContact CE1-CG 4.14Å; F211-L271 HydrophobicContact CE2-CD1 3.74Å; F211-L271 HydrophobicContact CG-CD1 4.25Å; F211-L271 HydrophobicContact CZ-CD1 3.64Å; F211-L271 HydrophobicContact CZ-CD2 3.95Å; F211-L271 HydrophobicContact CZ-CG 4.26Å |
| 212 | M | 89.7 | Confident | 79.3 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 121.5 | 170.6 | -65.8 | 121.1 | 166.4 | 0 | 0 | 108.9 | I121 M199 A210 L246 E269 W270 V272 | I121-M212 HydrophobicContact CB-CG 4.4Å; I121-M212 HydrophobicContact CD1-CB 3.91Å; I121-M212 HydrophobicContact CD1-CG 4.29Å; I121-M212 HydrophobicContact CG1-CB 4.13Å; I121-M212 HydrophobicContact CG1-CG 4.29Å; M199-M212 HydrophobicContact CE-CE 4.31Å; M199-M212 HydrophobicContact CE-CG 4.47Å; A210-M212 HydrophobicContact CB-CE 4.45Å; M212-L246 HydrophobicContact SD-CD1 3.78Å; M212-E269 WeakPolarHBondContact O-CA 3.44Å; M212-W270 HydrophobicContact CB-CB 4.39Å; M212-W270 PolarHBondContact N-O 3.15Å; M212-W270 PolarHBondContact O-N 3.47Å; M212-V272 HydrophobicContact SD-CG2 3.83Å |
| 213 | Q | 88.1 | Confident | 77.3 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 116.9 | -176.4 | -72.8 | 176.4 | -14.8 | 0 | 0 | 111.3 | Y34 F35 Y197 G198 I215 G268 E269 | Y34-Q213 HydrophobicContact CD1-CB 4.12Å; Y34-Q213 HydrophobicContact CD1-CG 4.09Å; F35-Q213 VanDerWaalsContact CB-NE2 3.27Å; F35-Q213 VanDerWaalsContact N-NE2 3.15Å; F35-Q213 PolarHBondContact O-OE1 3.1Å; Y197-Q213 CarbonylContact C-O 3.46Å; Y197-Q213 WeakPolarHBondContact CA-O 3.44Å; Y197-Q213 WeakPolarHBondContact CB-O 3.39Å; G198-Q213 PolarHBondContact N-O 3.05Å; G198-Q213 PolarHBondContact O-N 3.26Å; Q213-I215 HydrophobicContact CB-CG1 4.22Å; Q213-G268 WeakPolarHBondContact CA-O 3.19Å; Q213-E269 HydrophobicContact CG-CB 4.49Å; Q213-E269 HydrophobicContact CG-CG 3.9Å; Q213-E269 PolarHBondContact NE2-OE1 3.4Å |
| 214 | Y | 85.7 | Confident | 75.3 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 105.7 | 170.7 | -60.6 | -72.9 | 0 | 0 | 0 | 109 | Y34 I121 F122 V217 S234 W258 L259 G268 W270 | Y34-Y214 PolarHBondContact OH-O 2.91Å; Y34-Y214 VanDerWaalsContact OH-O 3.06Å; I121-Y214 HydrophobicContact CG1-CE1 3.98Å; I121-Y214 WeakPolarHBondContact O-CE1 3.08Å; I121-Y214 PolarHBondContact O-OH 2.96Å; F122-Y214 AromaticContact CD2-CE1 3.72Å; F122-Y214 HydrophobicContact CD2-CE1 3.72Å; F122-Y214 AromaticContact CE2-CE1 3.99Å; F122-Y214 HydrophobicContact CE2-CE1 3.99Å; F122-Y214 HydrophobicContact CG-CE1 4.48Å; Y214-V217 HydrophobicContact CD1-CG2 4.11Å; Y214-S234 PolarHBondContact OH-OG 3.09Å; Y214-W258 HydrophobicContact CD1-CB 4.5Å; Y214-W258 HydrophobicContact CD2-CB 4.47Å; Y214-W258 HydrophobicContact CD2-CE3 4.11Å; Y214-W258 HydrophobicContact CE1-CE3 4.16Å; Y214-W258 AromaticContact CE2-CE3 3.51Å; Y214-W258 HydrophobicContact CE2-CE3 3.51Å; Y214-W258 AromaticContact CE2-CZ3 3.98Å; Y214-W258 HydrophobicContact CE2-CZ3 3.98Å; Y214-W258 HydrophobicContact CG-CB 4.25Å; Y214-W258 AromaticContact CZ-CE3 3.55Å; Y214-W258 AromaticContact CZ-CZ3 3.86Å; Y214-L259 VanDerWaalsContact O-CD2 3.24Å; Y214-L259 WeakPolarHBondContact O-CD2 3.39Å; Y214-G268 PolarHBondContact N-O 2.73Å; Y214-W270 AromaticContact CD2-CD1 3.93Å; Y214-W270 AromaticContact CE2-CD1 3.67Å; Y214-W270 AromaticContact CE2-NE1 3.91Å |
| 215 | I | 81.2 | Confident | 73.5 | Confident | 25 Ų | 25 | 36.2 Ų | 36.2 | 13% | 0.128 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | -50.4 | -169.2 | -56 | -174 | 0 | 0 | 0 | 111.1 | N32 Y34 Q36 L180 T196 Q213 | N32-I215 WeakPolarHBondContact ND2-CG2 3.04Å; Y34-I215 HydrophobicContact CD1-CG1 4.36Å; Y34-I215 HydrophobicContact CD2-CB 3.96Å; Y34-I215 HydrophobicContact CD2-CD1 4.44Å; Y34-I215 HydrophobicContact CD2-CG1 3.73Å; Y34-I215 HydrophobicContact CD2-CG2 3.75Å; Y34-I215 HydrophobicContact CE2-CB 4.3Å; Y34-I215 HydrophobicContact CE2-CG1 4.37Å; Y34-I215 HydrophobicContact CE2-CG2 4.25Å; Y34-I215 HydrophobicContact CG-CB 4.46Å; Y34-I215 HydrophobicContact CG-CD1 4.23Å; Y34-I215 HydrophobicContact CG-CG1 3.72Å; Q36-I215 HydrophobicContact CG-CD1 4.42Å; L180-I215 HydrophobicContact CD1-CD1 3.96Å; T196-I215 HydrophobicContact CG2-CB 4.04Å; T196-I215 HydrophobicContact CG2-CD1 4.26Å; T196-I215 HydrophobicContact CG2-CG2 4.18Å; T196-I215 WeakPolarHBondContact O-CA 3.44Å; T196-I215 WeakPolarHBondContact O-CB 3.25Å; T196-I215 PolarHBondContact O-N 2.84Å; Q213-I215 HydrophobicContact CB-CG1 4.22Å |
| 216 | Q | 81.5 | Confident | 71.9 | Confident | 84 Ų | 84 | 42.6 Ų | 42.6 | 39% | 0.393 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 120.3 | 172.7 | 178.1 | 174.1 | -9.2 | 0 | 0 | 107 | N195 T196 E218 | N195-Q216 CarbonylContact C-O 3.55Å; N195-Q216 WeakPolarHBondContact CA-O 3.25Å; T196-Q216 PolarHBondContact N-O 3.45Å; T196-Q216 PolarHBondContact O-N 3.13Å; Q216-E218 HydrophobicContact CG-CG 4.48Å; Q216-E218 PolarHBondContact NE2-OE1 2.92Å |
| 217 | V | 79.2 | Confident | 70.5 | Confident | 7 Ų | 7 | 43.5 Ų | 43.5 | 4% | 0.042 | 23% | 0.225 | C | C | . | . | trans | -128.3 | 128.8 | -178.3 | 179.9 | 0 | 0 | 0 | 0 | 108.4 | F122 N195 Y214 P255 L259 | F122-V217 HydrophobicContact CE1-CG1 3.7Å; F122-V217 HydrophobicContact CZ-CG1 3.58Å; N195-V217 WeakPolarHBondContact OD1-CA 3.25Å; Y214-V217 HydrophobicContact CD1-CG2 4.11Å; V217-P255 HydrophobicContact CB-CB 4.34Å; V217-P255 HydrophobicContact CG1-CB 4.25Å; V217-P255 WeakPolarHBondContact O-CB 3.43Å; V217-L259 HydrophobicContact CG2-CD2 4.24Å | ||
| 218 | E | 74 | Confident | 68.9 | Low | 65 Ų | 65 | 48.7 Ų | 48.7 | 30% | 0.304 | 25% | 0.254 | S | S | . | . | trans | -137.2 | 94.3 | -174.6 | -67.7 | -178.7 | -174.7 | 0 | 0 | 109.5 | K193 A194 N195 Q216 | K193-E218 WeakPolarHBondContact CA-OE2 3.4Å; K193-E218 HydrophobicContact CB-CB 3.75Å; K193-E218 HydrophobicContact CD-CB 4.12Å; K193-E218 HydrophobicContact CG-CB 4.05Å; A194-E218 PolarHBondContact N-OE2 3Å; N195-E218 PolarHBondContact OD1-N 3.15Å; Q216-E218 HydrophobicContact CG-CG 4.48Å; Q216-E218 PolarHBondContact NE2-OE1 2.92Å | ||
| 219 | W | 66.1 | Low | 67 | Low | 10 Ų | 10 | 49.5 Ų | 49.5 | 4% | 0.038 | 26% | 0.26 | C | S | . | . | trans | -61.9 | 142.8 | 178.1 | -70 | 99.1 | 0 | 0 | 0 | 113 | F122 V125 K193 D223 V224 P232 V253 P255 | F122-W219 HydrophobicContact CE1-CH2 4.47Å; F122-W219 HydrophobicContact CE1-CZ2 4.39Å; F122-W219 HydrophobicContact CE2-CZ2 4.2Å; F122-W219 AromaticContact CZ-CH2 3.95Å; F122-W219 HydrophobicContact CZ-CH2 3.95Å; F122-W219 AromaticContact CZ-CZ2 3.57Å; F122-W219 HydrophobicContact CZ-CZ2 3.57Å; V125-W219 HydrophobicContact CB-CE3 4.48Å; V125-W219 HydrophobicContact CB-CZ3 4.41Å; V125-W219 HydrophobicContact CG1-CD2 4.45Å; V125-W219 HydrophobicContact CG1-CE3 3.91Å; V125-W219 HydrophobicContact CG1-CZ3 4.32Å; V125-W219 HydrophobicContact CG2-CD2 4.4Å; V125-W219 HydrophobicContact CG2-CE3 3.62Å; V125-W219 HydrophobicContact CG2-CH2 3.55Å; V125-W219 HydrophobicContact CG2-CZ2 4.34Å; V125-W219 HydrophobicContact CG2-CZ3 3.18Å; K193-W219 WeakPolarHBondContact CD-O 3.27Å; K193-W219 WeakPolarHBondContact CE-O 3.38Å; K193-W219 PolarHBondContact NZ-O 2.97Å; W219-D223 HydrophobicContact CD2-CB 4.4Å; W219-D223 HydrophobicContact CE3-CB 3.4Å; W219-D223 VanDerWaalsContact CE3-CB 3.4Å; W219-D223 HydrophobicContact CZ3-CB 3.95Å; W219-V224 HydrophobicContact CB-CG2 4.04Å; W219-P232 HydrophobicContact CH2-CB 3.77Å; W219-P232 VanDerWaalsContact CH2-CD 3.49Å; W219-P232 HydrophobicContact CH2-CG 3.53Å; W219-P232 HydrophobicContact CZ2-CB 4.32Å; W219-P232 HydrophobicContact CZ2-CG 3.8Å; W219-V253 PolarHBondContact NE1-O 2.82Å; W219-V253 VanDerWaalsContact NE1-O 3.08Å; W219-P255 VanDerWaalsContact CD1-CD 3.49Å | ||
| 220 | N | 59.3 | Low | 65.5 | Low | 16 Ų | 16 | 50.8 Ų | 50.8 | 9% | 0.086 | 27% | 0.267 | C | S | . | . | trans | -64.1 | 147.8 | 165 | -159.5 | -32.1 | 0 | 0 | 0 | 109 | N186 A187 Y188 N222 D223 V224 | N186-N220 PolarHBondContact OD1-ND2 3.03Å; A187-N220 PolarHBondContact O-ND2 3.35Å; Y188-N220 PolarHBondContact O-ND2 3.34Å; N220-N222 PolarHBondContact O-N 2.8Å; N220-D223 WeakPolarHBondContact CB-OD2 3.18Å; N220-D223 PolarHBondContact N-OD2 2.81Å; N220-D223 VanDerWaalsContact N-OD2 3.14Å; N220-D223 PolarHBondContact O-N 2.04Å; N220-V224 PolarHBondContact O-N 3.42Å | ||
| 221 | E | 55.8 | Low | 64.1 | Low | 144 Ų | 144 | 51.8 Ų | 51.8 | 67% | 0.673 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -61.4 | -27.7 | 177.5 | -69.8 | 176.2 | -175.2 | 0 | 0 | 111.5 | V224 A225 | E221-V224 PolarHBondContact O-N 3.13Å; E221-A225 PolarHBondContact O-N 2.97Å |
| 222 | N | 50.5 | Low | 63.1 | Low | 77 Ų | 77 | 51.8 Ų | 51.8 | 41% | 0.412 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -71.1 | -27.7 | 173.6 | -63.2 | -24.4 | 0 | 0 | 0 | 113.6 | L189 N220 V224 A225 | L189-N222 WeakPolarHBondContact CD1-ND2 3.48Å; N220-N222 PolarHBondContact O-N 2.8Å; N222-V224 PolarHBondContact O-N 2.88Å; N222-A225 WeakPolarHBondContact O-CB 3.45Å; N222-A225 PolarHBondContact O-N 3.23Å |
| 223 | D | 48.9 | Very low | 62.6 | Low | 23 Ų | 23 | 52 Ų | 52 | 12% | 0.123 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -76.6 | -17 | 175.9 | -57.5 | -39.9 | 0 | 0 | 0 | 112.1 | W219 N220 A229 | W219-D223 HydrophobicContact CD2-CB 4.4Å; W219-D223 HydrophobicContact CE3-CB 3.4Å; W219-D223 VanDerWaalsContact CE3-CB 3.4Å; W219-D223 HydrophobicContact CZ3-CB 3.95Å; N220-D223 WeakPolarHBondContact CB-OD2 3.18Å; N220-D223 PolarHBondContact N-OD2 2.81Å; N220-D223 VanDerWaalsContact N-OD2 3.14Å; N220-D223 PolarHBondContact O-N 2.04Å; D223-A229 WeakPolarHBondContact O-CB 3.29Å |
| 224 | V | 47.3 | Very low | 62.4 | Low | 83 Ų | 83 | 52 Ų | 52 | 50% | 0.503 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -88.9 | -16 | 171.9 | -166.3 | 0 | 0 | 0 | 0 | 111 | W219 N220 E221 N222 E226 | W219-V224 HydrophobicContact CB-CG2 4.04Å; N220-V224 PolarHBondContact O-N 3.42Å; E221-V224 PolarHBondContact O-N 3.13Å; N222-V224 PolarHBondContact O-N 2.88Å; V224-E226 PolarHBondContact O-N 3.31Å |
| 225 | A | 43.8 | Very low | 62.4 | Low | 47 Ų | 47 | 52 Ų | 52 | 39% | 0.388 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -78.1 | 103.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | E221 N222 N227 L228 A229 | E221-A225 PolarHBondContact O-N 2.97Å; N222-A225 WeakPolarHBondContact O-CB 3.45Å; N222-A225 PolarHBondContact O-N 3.23Å; A225-N227 PolarHBondContact O-N 3.18Å; A225-L228 PolarHBondContact O-N 2.99Å; A225-A229 PolarHBondContact O-N 3.08Å |
| 226 | E | 43.4 | Very low | 62.5 | Low | 172 Ų | 172 | 50.8 Ų | 50.8 | 80% | 0.804 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -43.9 | -35.2 | -169.7 | -66.6 | 175.6 | 136.6 | 0 | 0 | 115.6 | V224 | V224-E226 PolarHBondContact O-N 3.31Š|
| 227 | N | 45.9 | Very low | 62.5 | Low | 140 Ų | 140 | 47.1 Ų | 47.1 | 75% | 0.749 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -10 | -174 | -66.2 | -28.6 | 0 | 0 | 0 | 115.6 | A225 | A225-N227 PolarHBondContact O-N 3.18Š|
| 228 | L | 46.6 | Very low | 62.3 | Low | 129 Ų | 129 | 47.3 Ų | 47.3 | 68% | 0.675 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.8 | -4.3 | -179.7 | -77.5 | 170.2 | 0 | 0 | 0 | 113.9 | A225 L230 | A225-L228 PolarHBondContact O-N 2.99Å; L228-L230 PolarHBondContact O-N 3.13Å |
| 229 | A | 49.4 | Very low | 61.6 | Low | 18 Ų | 18 | 50.3 Ų | 50.3 | 15% | 0.149 | 26% | 0.26 | C | S | . | . | trans | -53.3 | 128.4 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | D223 A225 P231 A252 | D223-A229 WeakPolarHBondContact O-CB 3.29Å; A225-A229 PolarHBondContact O-N 3.08Å; A229-P231 WeakPolarHBondContact O-CD 3.35Å; A229-A252 HydrophobicContact CB-CB 4.22Å | ||
| 230 | L | 57 | Low | 60.4 | Low | 26 Ų | 26 | 54.6 Ų | 54.6 | 14% | 0.136 | 29% | 0.289 | C | S | . | . | trans | -91.1 | 91.9 | 162.3 | -65.1 | -177.7 | 0 | 0 | 0 | 106.7 | P101 T104 S124 L228 | P101-L230 HydrophobicContact CB-CD1 4.32Å; P101-L230 HydrophobicContact CG-CD1 4.08Å; T104-L230 VanDerWaalsContact OG1-CD2 3.31Å; T104-L230 WeakPolarHBondContact OG1-CD2 3.04Å; S124-L230 WeakPolarHBondContact CB-O 3.21Å; S124-L230 PolarHBondContact OG-O 2.82Å; L228-L230 PolarHBondContact O-N 3.13Å | ||
| 231 | P | 62.8 | Low | 60 | Low | 22 Ų | 22 | 56.6 Ų | 56.6 | 14% | 0.143 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 148.8 | -175.2 | 29.7 | -37.5 | 0 | 0 | 0 | 110.2 | A229 E233 | A229-P231 WeakPolarHBondContact O-CD 3.35Å; P231-E233 PolarHBondContact O-N 3.24Å |
| 232 | P | 69.9 | Low | 60.1 | Low | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -70.9 | 135.1 | -173.9 | 31.4 | -29.9 | 0 | 0 | 0 | 109.3 | F122 W219 S249 S250 Q251 W258 | F122-P232 HydrophobicContact CD2-CB 3.93Å; F122-P232 HydrophobicContact CE2-CB 3.78Å; F122-P232 HydrophobicContact CE2-CG 4.31Å; F122-P232 HydrophobicContact CZ-CB 4.41Å; W219-P232 HydrophobicContact CH2-CB 3.77Å; W219-P232 VanDerWaalsContact CH2-CD 3.49Å; W219-P232 HydrophobicContact CH2-CG 3.53Å; W219-P232 HydrophobicContact CZ2-CB 4.32Å; W219-P232 HydrophobicContact CZ2-CG 3.8Å; P232-S249 WeakPolarHBondContact O-CA 3.45Å; P232-S250 PolarHBondContact O-N 2.94Å; P232-Q251 VanDerWaalsContact CD-O 3.29Å; P232-Q251 WeakPolarHBondContact CD-O 3.25Å; P232-W258 HydrophobicContact CG-CZ2 3.76Å |
| 233 | E | 78 | Confident | 60.5 | Low | 4 Ų | 4 | 49.8 Ų | 49.8 | 2% | 0.019 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -98.6 | 124.2 | 166.7 | -63.8 | 163.8 | 132.7 | 0 | 0 | 107.8 | Y100 R110 L111 S120 S123 P231 F237 | Y100-E233 PolarHBondContact OH-OE1 2.03Å; Y100-E233 VanDerWaalsContact OH-OE1 3.11Å; Y100-E233 PolarHBondContact OH-OE2 2.79Å; R110-E233 WeakPolarHBondContact CA-OE1 3.48Å; R110-E233 VanDerWaalsContact CB-OE1 3.31Å; R110-E233 WeakPolarHBondContact CB-OE1 3.01Å; R110-E233 WeakPolarHBondContact CD-OE1 3.14Å; L111-E233 PolarHBondContact N-OE1 3.03Å; S120-E233 WeakPolarHBondContact CB-O 3.42Å; S120-E233 PolarHBondContact OG-O 2.93Å; S123-E233 WeakPolarHBondContact OG-CB 3.33Å; S123-E233 PolarHBondContact OG-N 3.29Å; S123-E233 PolarHBondContact OG-OE2 3.21Å; P231-E233 PolarHBondContact O-N 3.24Å; E233-F237 HydrophobicContact CB-CE1 4.24Å; E233-F237 HydrophobicContact CB-CE2 4.28Å; E233-F237 HydrophobicContact CB-CZ 3.71Å |
| 234 | S | 85.1 | Confident | 61.1 | Low | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 30% | 0.3 | C | S | . | . | trans | -142.8 | 143.2 | -178.4 | -165.9 | 0 | 0 | 0 | 0 | 111.9 | S120 I121 Y214 L246 S249 | S120-S234 WeakPolarHBondContact O-CA 3.34Å; S120-S234 PolarHBondContact O-OG 2.8Å; I121-S234 PolarHBondContact O-OG 2.67Å; Y214-S234 PolarHBondContact OH-OG 3.09Å; S234-L246 PolarHBondContact O-N 3.09Å; S234-L246 VanDerWaalsContact OG-CD1 3.3Å; S234-L246 WeakPolarHBondContact OG-CD1 3.17Å; S234-S249 PolarHBondContact N-OG 2.59Å | ||
| 235 | G | 84.7 | Confident | 62.1 | Low | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 114.2 | -146.3 | -171 | 0 | 0 | 0 | 0 | 0 | 112.6 | S120 Y244 | S120-G235 PolarHBondContact N-O 3.37Å; S120-G235 PolarHBondContact O-N 3.07Å; G235-Y244 CarbonylContact C-O 3.6Å; G235-Y244 WeakPolarHBondContact CA-O 3.05Å |
| 236 | I | 83.5 | Confident | 63.4 | Low | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 129.2 | -171.1 | -54.6 | 175 | 0 | 0 | 0 | 107.7 | Y71 L119 M238 G243 Y244 V272 L274 | Y71-I236 HydrophobicContact CE2-CD1 4.03Å; Y71-I236 HydrophobicContact CE2-CG2 3.98Å; Y71-I236 WeakPolarHBondContact OH-CD1 3.04Å; L119-I236 HydrophobicContact CD2-CB 4.26Å; L119-I236 HydrophobicContact CD2-CG1 3.82Å; L119-I236 HydrophobicContact CD2-CG2 4.08Å; I236-M238 HydrophobicContact CG2-CE 3.96Å; I236-M238 HydrophobicContact CG2-CG 4Å; I236-M238 HydrophobicContact CG2-SD 4.08Å; I236-G243 CarbonylContact O-C 3.36Å; I236-G243 WeakPolarHBondContact O-CA 3.42Å; I236-Y244 PolarHBondContact N-O 3.06Å; I236-V272 HydrophobicContact CD1-CG1 3.54Å; I236-V272 HydrophobicContact CG1-CG1 4.3Å; I236-L274 HydrophobicContact CD1-CD2 4.02Å; I236-L274 HydrophobicContact CG1-CD2 4.47Å |
| 237 | F | 82.2 | Confident | 64.2 | Low | 6 Ų | 6 | 44.8 Ų | 44.8 | 3% | 0.026 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 108.4 | -179.2 | -59.7 | -102.9 | 0 | 0 | 0 | 108.1 | L111 Q112 Y118 E233 Q245 | L111-F237 HydrophobicContact CB-CB 4.49Å; L111-F237 HydrophobicContact CB-CD1 3.9Å; L111-F237 HydrophobicContact CB-CE1 4.3Å; L111-F237 HydrophobicContact CB-CG 4.14Å; L111-F237 HydrophobicContact CD2-CB 3.98Å; L111-F237 HydrophobicContact CD2-CD1 4.21Å; L111-F237 HydrophobicContact CD2-CD2 3.58Å; L111-F237 HydrophobicContact CD2-CE2 4.1Å; L111-F237 HydrophobicContact CD2-CG 3.66Å; L111-F237 HydrophobicContact CG-CB 3.82Å; L111-F237 HydrophobicContact CG-CD1 4.11Å; L111-F237 HydrophobicContact CG-CD2 4.27Å; L111-F237 HydrophobicContact CG-CG 3.82Å; Q112-F237 HydrophobicContact CB-CD1 4.27Å; Y118-F237 HydrophobicContact CD2-CB 4.43Å; Y118-F237 PolarHBondContact N-O 3.09Å; Y118-F237 PolarHBondContact O-N 2.91Å; E233-F237 HydrophobicContact CB-CE1 4.24Å; E233-F237 HydrophobicContact CB-CE2 4.28Å; E233-F237 HydrophobicContact CB-CZ 3.71Å; F237-Q245 HydrophobicContact CE1-CG 3.83Å; F237-Q245 HydrophobicContact CZ-CG 3.97Å |
| 238 | M | 73.5 | Confident | 65 | Low | 12 Ų | 12 | 41.9 Ų | 41.9 | 6% | 0.059 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 128 | -175.7 | -65.7 | -173.9 | 173.8 | 0 | 0 | 109.8 | I70 Y71 L88 G116 R117 I236 L241 G242 | I70-M238 HydrophobicContact CG2-CE 3.93Å; Y71-M238 HydrophobicContact CD1-SD 4.48Å; Y71-M238 HydrophobicContact CD2-CE 3.56Å; Y71-M238 HydrophobicContact CD2-SD 3.66Å; Y71-M238 HydrophobicContact CE2-CE 4.04Å; Y71-M238 HydrophobicContact CE2-SD 4.08Å; Y71-M238 HydrophobicContact CG-CE 4.26Å; Y71-M238 HydrophobicContact CG-SD 3.87Å; L88-M238 HydrophobicContact CD1-CE 3.89Å; G116-M238 WeakPolarHBondContact O-CA 3.42Å; R117-M238 HydrophobicContact CB-CE 4.45Å; R117-M238 HydrophobicContact CB-CG 4.42Å; R117-M238 HydrophobicContact CG-CG 4.36Å; I236-M238 HydrophobicContact CG2-CE 3.96Å; I236-M238 HydrophobicContact CG2-CG 4Å; I236-M238 HydrophobicContact CG2-SD 4.08Å; M238-L241 HydrophobicContact CB-CB 4.44Å; M238-G242 CarbonylContact O-C 3.59Å; M238-G242 VanDerWaalsContact O-CA 3.31Å; M238-G242 WeakPolarHBondContact O-CA 3.19Å; M238-G242 PolarHBondContact O-N 3.32Å |
| 239 | R | 60.4 | Low | 66.1 | Low | 127 Ų | 127 | 36.2 Ų | 36.2 | 48% | 0.479 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.3 | 135.1 | 173.4 | -154 | 162.9 | -172.4 | 167.7 | 7.9 | 108.7 | D113 D115 G116 | D113-R239 PolarHBondContact O-NH1 3.04Å; D115-R239 VanDerWaalsContact OD1-CD 3.32Å; D115-R239 WeakPolarHBondContact OD1-CD 3.34Å; G116-R239 PolarHBondContact O-N 2.04Å |
| 240 | P | 39.9 | Very low | 66.7 | Low | 101 Ų | 101 | 37.2 Ų | 37.2 | 66% | 0.656 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -87.2 | -3.3 | 3.1 | 35.9 | -36.9 | 0 | 0 | 0 | 115.4 | G242 | P240-G242 PolarHBondContact O-N 2.89Å; P240-G242 VanDerWaalsContact O-N 3.08Å |
| 241 | L | 51.3 | Low | 67 | Low | 57 Ų | 57 | 39.4 Ų | 39.4 | 30% | 0.298 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -22.5 | -168.5 | -61.1 | -179.8 | 0 | 0 | 0 | 115.2 | M238 Q1068 | M238-L241 HydrophobicContact CB-CB 4.44Å; L241-Q1068 HydrophobicContact CD2-CB 4.25Å; L241-Q1068 HydrophobicContact CD2-CG 4.05Å |
| 242 | G | 57.5 | Low | 67.1 | Low | 44 Ų | 44 | 40.9 Ų | 40.9 | 45% | 0.454 | 23% | 0.228 | S | C | . | . | trans | 72.2 | 163.9 | -159.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | M238 P240 | M238-G242 CarbonylContact O-C 3.59Å; M238-G242 VanDerWaalsContact O-CA 3.31Å; M238-G242 WeakPolarHBondContact O-CA 3.19Å; M238-G242 PolarHBondContact O-N 3.32Å; P240-G242 PolarHBondContact O-N 2.89Å; P240-G242 VanDerWaalsContact O-N 3.08Å | ||
| 243 | G | 59.3 | Low | 66.8 | Low | 34 Ų | 34 | 41.9 Ų | 41.9 | 35% | 0.351 | 23% | 0.234 | S | C | . | . | trans | -148 | 155.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | I236 Q245 | I236-G243 CarbonylContact O-C 3.36Å; I236-G243 WeakPolarHBondContact O-CA 3.42Å; G243-Q245 PolarHBondContact O-N 2.92Å | ||
| 244 | Y | 61.9 | Low | 66.3 | Low | 104 Ų | 104 | 47.4 Ų | 47.4 | 41% | 0.408 | 26% | 0.26 | S | S | . | . | trans | -71.6 | 106.9 | 178.8 | 177.2 | -96.7 | 0 | 0 | 0 | 110.1 | G235 I236 L246 V272 | G235-Y244 CarbonylContact C-O 3.6Å; G235-Y244 WeakPolarHBondContact CA-O 3.05Å; I236-Y244 PolarHBondContact N-O 3.06Å; Y244-L246 HydrophobicContact CE1-CD2 3.86Å; Y244-L246 HydrophobicContact CE1-CG 4.16Å; Y244-V272 HydrophobicContact CD1-CG1 3.66Å; Y244-V272 HydrophobicContact CD1-CG2 4.11Å; Y244-V272 HydrophobicContact CE1-CG1 4.27Å; Y244-V272 HydrophobicContact CE1-CG2 4.01Å; Y244-V272 HydrophobicContact CG-CG1 4.3Å | ||
| 245 | Q | 68.9 | Low | 65.4 | Low | 62 Ų | 62 | 48.9 Ų | 48.9 | 29% | 0.29 | 27% | 0.27 | S | S | . | . | B | Isolated β-bridge | trans | -79.9 | 135.1 | 167.7 | -64 | -174.4 | -0.4 | 0 | 0 | 109.5 | F237 G243 | F237-Q245 HydrophobicContact CE1-CG 3.83Å; F237-Q245 HydrophobicContact CZ-CG 3.97Å; G243-Q245 PolarHBondContact O-N 2.92Å |
| 246 | L | 70.4 | Confident | 64.7 | Low | 4 Ų | 4 | 53.6 Ų | 53.6 | 2% | 0.021 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 151.2 | 172.6 | -82.7 | 163.3 | 0 | 0 | 0 | 110.4 | M212 S234 Y244 R248 S249 W258 W270 V272 | M212-L246 HydrophobicContact SD-CD1 3.78Å; S234-L246 PolarHBondContact O-N 3.09Å; S234-L246 VanDerWaalsContact OG-CD1 3.3Å; S234-L246 WeakPolarHBondContact OG-CD1 3.17Å; Y244-L246 HydrophobicContact CE1-CD2 3.86Å; Y244-L246 HydrophobicContact CE1-CG 4.16Å; L246-R248 PolarHBondContact O-N 2.96Å; L246-S249 WeakPolarHBondContact O-CB 3.05Å; L246-S249 PolarHBondContact O-N 3.18Å; L246-W258 HydrophobicContact CB-CH2 4.38Å; L246-W258 HydrophobicContact CB-CZ3 4.3Å; L246-W270 HydrophobicContact CD2-CB 4.06Å; L246-W270 HydrophobicContact CD2-CD2 3.48Å; L246-W270 VanDerWaalsContact CD2-CD2 3.48Å; L246-W270 HydrophobicContact CD2-CE3 3.31Å; L246-W270 HydrophobicContact CD2-CG 3.83Å; L246-W270 HydrophobicContact CD2-CZ3 3.9Å; L246-V272 HydrophobicContact CD2-CG2 4.43Å |
| 247 | P | 60.3 | Low | 64 | Low | 50 Ų | 50 | 55.6 Ų | 55.6 | 33% | 0.325 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.1 | 139.7 | 172.3 | -28.2 | 37.6 | 0 | 0 | 0 | 111 | S249 W258 W270 | P247-S249 PolarHBondContact O-N 3.3Å; P247-W258 WeakPolarHBondContact O-CH2 3.32Å; P247-W270 HydrophobicContact CB-CH2 4.22Å; P247-W270 HydrophobicContact CG-CH2 3.69Å; P247-W270 HydrophobicContact CG-CZ3 3.9Å |
| 248 | R | 63.2 | Low | 63.6 | Low | 80 Ų | 80 | 55.5 Ų | 55.5 | 30% | 0.302 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.9 | 7.6 | -177 | -49.4 | 163.7 | -179.1 | -82 | 10.3 | 115.6 | L246 S250 Q251 V253 I257 W258 E261 | L246-R248 PolarHBondContact O-N 2.96Å; R248-S250 PolarHBondContact O-N 2.82Å; R248-Q251 HydrophobicContact CB-CB 4.34Å; R248-Q251 WeakPolarHBondContact O-CB 3.4Å; R248-Q251 PolarHBondContact O-N 2.83Å; R248-V253 HydrophobicContact CB-CG1 4.22Å; R248-V253 HydrophobicContact CB-CG2 4.4Å; R248-V253 HydrophobicContact CG-CG1 4.32Å; R248-I257 VanDerWaalsContact CZ-CG2 3.47Å; R248-W258 HydrophobicContact CB-CZ2 4.17Å; R248-E261 WeakPolarHBondContact CD-OE2 3.34Å; R248-E261 IonicContact CZ-OE1 3.73Å; R248-E261 VanDerWaalsContact CZ-OE1 3.27Å; R248-E261 IonicContact CZ-OE2 3.97Å; R248-E261 VanDerWaalsContact NE-CD 3.26Å; R248-E261 IonicContact NE-OE1 3.12Å; R248-E261 PolarHBondContact NE-OE1 2.79Å; R248-E261 IonicContact NE-OE2 3.66Å; R248-E261 PolarHBondContact NE-OE2 2.91Å; R248-E261 IonicContact NH2-OE1 3.39Å; R248-E261 PolarHBondContact NH2-OE1 3.03Å; R248-E261 IonicContact NH2-OE2 2.78Å |
| 249 | S | 69.6 | Low | 63.6 | Low | 9 Ų | 9 | 56.7 Ų | 56.7 | 6% | 0.063 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | 134.8 | 162 | -173.7 | 0 | 0 | 0 | 0 | 109.6 | P232 S234 L246 P247 Q251 | P232-S249 WeakPolarHBondContact O-CA 3.45Å; S234-S249 PolarHBondContact N-OG 2.59Å; L246-S249 WeakPolarHBondContact O-CB 3.05Å; L246-S249 PolarHBondContact O-N 3.18Å; P247-S249 PolarHBondContact O-N 3.3Å; S249-Q251 VanDerWaalsContact C-N 3.25Å; S249-Q251 PolarHBondContact O-N 2.56Å |
| 250 | S | 62.2 | Low | 64 | Low | 40 Ų | 40 | 54.2 Ų | 54.2 | 28% | 0.28 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.2 | 21 | -175.6 | -47.3 | 0 | 0 | 0 | 0 | 115.4 | P232 R248 | P232-S250 PolarHBondContact O-N 2.94Å; R248-S250 PolarHBondContact O-N 2.82Å |
| 251 | Q | 63.2 | Low | 65.4 | Low | 72 Ų | 72 | 52.1 Ų | 52.1 | 34% | 0.336 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -116.6 | 139.1 | 171.3 | -59.4 | -179.9 | -9.5 | 0 | 0 | 111.8 | P232 R248 S249 V253 | P232-Q251 VanDerWaalsContact CD-O 3.29Å; P232-Q251 WeakPolarHBondContact CD-O 3.25Å; R248-Q251 HydrophobicContact CB-CB 4.34Å; R248-Q251 WeakPolarHBondContact O-CB 3.4Å; R248-Q251 PolarHBondContact O-N 2.83Å; S249-Q251 VanDerWaalsContact C-N 3.25Å; S249-Q251 PolarHBondContact O-N 2.56Å; Q251-V253 HydrophobicContact CB-CG1 4.15Å; Q251-V253 PolarHBondContact O-N 3.36Å |
| 252 | A | 63.2 | Low | 66.4 | Low | 52 Ų | 52 | 51.3 Ų | 51.3 | 43% | 0.43 | 29% | 0.289 | S | S | . | . | trans | -74.6 | 121 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | A229 | A229-A252 HydrophobicContact CB-CB 4.22Š| ||
| 253 | V | 64.8 | Low | 67 | Low | 21 Ų | 21 | 51.3 Ų | 51.3 | 13% | 0.127 | 28% | 0.279 | C | S | . | . | trans | -148.2 | 146.3 | -172.4 | -69.3 | 0 | 0 | 0 | 0 | 112.1 | W219 R248 Q251 I257 | W219-V253 PolarHBondContact NE1-O 2.82Å; W219-V253 VanDerWaalsContact NE1-O 3.08Å; R248-V253 HydrophobicContact CB-CG1 4.22Å; R248-V253 HydrophobicContact CB-CG2 4.4Å; R248-V253 HydrophobicContact CG-CG1 4.32Å; Q251-V253 HydrophobicContact CB-CG1 4.15Å; Q251-V253 PolarHBondContact O-N 3.36Å; V253-I257 HydrophobicContact CB-CD1 4.24Å | ||
| 254 | E | 67.2 | Low | 67.5 | Low | 121 Ų | 121 | 49.7 Ų | 49.7 | 57% | 0.565 | 26% | 0.262 | S | S | * | . | trans | -59.3 | 148.8 | 178.2 | -74.8 | -168.7 | 177.4 | 0 | 0 | 113.1 | N256 I257 | E254-N256 VanDerWaalsContact C-N 3.28Å; E254-N256 PolarHBondContact O-N 3.29Å; E254-I257 HydrophobicContact CB-CD1 4.16Å; E254-I257 HydrophobicContact CB-CG1 4.26Å; E254-I257 WeakPolarHBondContact O-CB 3.2Å; E254-I257 PolarHBondContact O-N 3.18Å; E254-I257 VanDerWaalsContact O-N 3.11Å | ||
| 255 | P | 66.4 | Low | 67.3 | Low | 30 Ų | 30 | 46.2 Ų | 46.2 | 20% | 0.195 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.3 | -35.7 | -174 | 18.3 | -21.8 | 0 | 0 | 0 | 112.6 | V217 W219 I257 W258 L259 | V217-P255 HydrophobicContact CB-CB 4.34Å; V217-P255 HydrophobicContact CG1-CB 4.25Å; V217-P255 WeakPolarHBondContact O-CB 3.43Å; W219-P255 VanDerWaalsContact CD1-CD 3.49Å; P255-I257 PolarHBondContact O-N 3.05Å; P255-I257 VanDerWaalsContact O-N 3.12Å; P255-W258 PolarHBondContact O-N 3.21Å; P255-L259 WeakPolarHBondContact O-CG 3.28Å; P255-L259 PolarHBondContact O-N 2.99Å |
| 256 | N | 69.7 | Low | 67.2 | Low | 100 Ų | 100 | 44.7 Ų | 44.7 | 54% | 0.535 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58.6 | -25.5 | 179.1 | -65.5 | -37.7 | 0 | 0 | 0 | 113 | E254 L259 T260 | E254-N256 VanDerWaalsContact C-N 3.28Å; E254-N256 PolarHBondContact O-N 3.29Å; N256-L259 PolarHBondContact O-N 3.46Å; N256-T260 WeakPolarHBondContact O-CB 3.46Å; N256-T260 VanDerWaalsContact O-CG2 3.26Å; N256-T260 WeakPolarHBondContact O-CG2 3.31Å; N256-T260 PolarHBondContact O-N 2.87Å; N256-T260 VanDerWaalsContact O-N 3.15Å; N256-T260 PolarHBondContact O-OG1 3.2Å |
| 257 | I | 69.5 | Low | 67.3 | Low | 41 Ų | 41 | 50.2 Ų | 50.2 | 21% | 0.21 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -70.5 | -49.9 | -178.8 | -60.1 | 177.5 | 0 | 0 | 0 | 110 | R248 V253 E254 P255 L259 T260 E261 | R248-I257 VanDerWaalsContact CZ-CG2 3.47Å; V253-I257 HydrophobicContact CB-CD1 4.24Å; E254-I257 HydrophobicContact CB-CD1 4.16Å; E254-I257 HydrophobicContact CB-CG1 4.26Å; E254-I257 WeakPolarHBondContact O-CB 3.2Å; E254-I257 PolarHBondContact O-N 3.18Å; E254-I257 VanDerWaalsContact O-N 3.11Å; P255-I257 PolarHBondContact O-N 3.05Å; P255-I257 VanDerWaalsContact O-N 3.12Å; I257-L259 PolarHBondContact O-N 2.84Å; I257-T260 PolarHBondContact O-N 2.82Å; I257-T260 VanDerWaalsContact O-N 3.08Å; I257-T260 PolarHBondContact O-OG1 2.64Å; I257-E261 HydrophobicContact CG2-CG 4.22Å; I257-E261 PolarHBondContact O-N 2.92Å |
| 258 | W | 72.6 | Confident | 67.9 | Low | 4 Ų | 4 | 47.8 Ų | 47.8 | 2% | 0.015 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.7 | -32.6 | 173.7 | -72.9 | 99.6 | 0 | 0 | 0 | 113.1 | F122 Y214 P232 L246 P247 R248 P255 T260 G268 | F122-W258 HydrophobicContact CE2-CD2 4.42Å; F122-W258 HydrophobicContact CE2-CG 4.49Å; Y214-W258 HydrophobicContact CD1-CB 4.5Å; Y214-W258 HydrophobicContact CD2-CB 4.47Å; Y214-W258 HydrophobicContact CD2-CE3 4.11Å; Y214-W258 HydrophobicContact CE1-CE3 4.16Å; Y214-W258 AromaticContact CE2-CE3 3.51Å; Y214-W258 HydrophobicContact CE2-CE3 3.51Å; Y214-W258 AromaticContact CE2-CZ3 3.98Å; Y214-W258 HydrophobicContact CE2-CZ3 3.98Å; Y214-W258 HydrophobicContact CG-CB 4.25Å; Y214-W258 AromaticContact CZ-CE3 3.55Å; Y214-W258 AromaticContact CZ-CZ3 3.86Å; P232-W258 HydrophobicContact CG-CZ2 3.76Å; L246-W258 HydrophobicContact CB-CH2 4.38Å; L246-W258 HydrophobicContact CB-CZ3 4.3Å; P247-W258 WeakPolarHBondContact O-CH2 3.32Å; R248-W258 HydrophobicContact CB-CZ2 4.17Å; P255-W258 PolarHBondContact O-N 3.21Å; W258-T260 VanDerWaalsContact C-N 3.31Å; W258-T260 PolarHBondContact O-N 3.28Å; W258-G268 WeakPolarHBondContact O-CA 3.41Å |
| 259 | L | 74.6 | Confident | 68.9 | Low | 37 Ų | 37 | 44 Ų | 44 | 19% | 0.194 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -9.8 | 177.3 | -63.1 | 171.7 | 0 | 0 | 0 | 113.9 | Y214 V217 P255 N256 I257 H267 G268 | Y214-L259 VanDerWaalsContact O-CD2 3.24Å; Y214-L259 WeakPolarHBondContact O-CD2 3.39Å; V217-L259 HydrophobicContact CG2-CD2 4.24Å; P255-L259 WeakPolarHBondContact O-CG 3.28Å; P255-L259 PolarHBondContact O-N 2.99Å; N256-L259 PolarHBondContact O-N 3.46Å; I257-L259 PolarHBondContact O-N 2.84Å; L259-H267 CarbonylContact O-C 3.55Å; L259-G268 PolarHBondContact O-N 3.21Å |
| 260 | T | 68.3 | Low | 69.6 | Low | 75 Ų | 75 | 44.1 Ų | 44.1 | 46% | 0.46 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119.2 | -28.5 | -176.7 | 52.2 | 0 | 0 | 0 | 0 | 113.8 | N256 I257 W258 H267 | N256-T260 WeakPolarHBondContact O-CB 3.46Å; N256-T260 VanDerWaalsContact O-CG2 3.26Å; N256-T260 WeakPolarHBondContact O-CG2 3.31Å; N256-T260 PolarHBondContact O-N 2.87Å; N256-T260 VanDerWaalsContact O-N 3.15Å; N256-T260 PolarHBondContact O-OG1 3.2Å; I257-T260 PolarHBondContact O-N 2.82Å; I257-T260 VanDerWaalsContact O-N 3.08Å; I257-T260 PolarHBondContact O-OG1 2.64Å; W258-T260 VanDerWaalsContact C-N 3.31Å; W258-T260 PolarHBondContact O-N 3.28Å; T260-H267 PolarHBondContact O-ND1 3.4Å |
| 261 | E | 69.4 | Low | 70.7 | Confident | 58 Ų | 58 | 42.2 Ų | 42.2 | 27% | 0.271 | 23% | 0.23 | S | C | . | . | trans | -77.6 | 151.4 | 175.3 | -66.7 | -175.9 | 172.7 | 0 | 0 | 112 | R248 I257 G268 W270 | R248-E261 WeakPolarHBondContact CD-OE2 3.34Å; R248-E261 IonicContact CZ-OE1 3.73Å; R248-E261 VanDerWaalsContact CZ-OE1 3.27Å; R248-E261 IonicContact CZ-OE2 3.97Å; R248-E261 VanDerWaalsContact NE-CD 3.26Å; R248-E261 IonicContact NE-OE1 3.12Å; R248-E261 PolarHBondContact NE-OE1 2.79Å; R248-E261 IonicContact NE-OE2 3.66Å; R248-E261 PolarHBondContact NE-OE2 2.91Å; R248-E261 IonicContact NH2-OE1 3.39Å; R248-E261 PolarHBondContact NH2-OE1 3.03Å; R248-E261 IonicContact NH2-OE2 2.78Å; I257-E261 HydrophobicContact CG2-CG 4.22Å; I257-E261 PolarHBondContact O-N 2.92Å; E261-G268 PolarHBondContact O-N 3.27Å; E261-G268 VanDerWaalsContact O-N 3.11Å; E261-W270 HydrophobicContact CB-CH2 4.24Å; E261-W270 HydrophobicContact CB-CZ2 3.62Å; E261-W270 PolarHBondContact O-NE1 2.89Å | ||
| 262 | T | 73 | Confident | 71.6 | Confident | 39 Ų | 39 | 39 Ų | 39 | 24% | 0.239 | 22% | 0.215 | C | C | . | . | trans | -170.4 | 152.9 | -172.5 | 173.2 | 0 | 0 | 0 | 0 | 109.9 | I264 L266 E269 | T262-I264 PolarHBondContact OG1-N 2.71Å; T262-L266 WeakPolarHBondContact CB-O 3.42Å; T262-L266 PolarHBondContact OG1-O 3.3Å; T262-E269 VanDerWaalsContact CB-O 3.22Å; T262-E269 WeakPolarHBondContact CB-O 3.47Å; T262-E269 PolarHBondContact OG1-O 3.05Å | ||
| 263 | N | 69.6 | Low | 72.6 | Confident | 45 Ų | 45 | 37.4 Ų | 37.4 | 24% | 0.241 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -105.5 | 5.4 | 166.8 | 68.3 | -16.1 | 0 | 0 | 0 | 114 | W270 L271 | N263-W270 HydrophobicContact CB-CE3 3.91Å; N263-W270 HydrophobicContact CB-CZ3 4.07Å; N263-W270 WeakPolarHBondContact OD1-CA 3.33Å; N263-L271 PolarHBondContact ND2-O 3.42Å; N263-L271 PolarHBondContact OD1-N 2.04Å |
| 264 | I | 69.2 | Low | 73.6 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -132.4 | 32.9 | -176.8 | 59.7 | 167.1 | 0 | 0 | 0 | 114.7 | F160 F211 T262 L266 E269 L271 L288 | F160-I264 HydrophobicContact CD2-CD1 3.81Å; F160-I264 HydrophobicContact CE2-CD1 4.12Å; F211-I264 HydrophobicContact CD1-CD1 3.83Å; F211-I264 HydrophobicContact CE1-CD1 3.65Å; T262-I264 PolarHBondContact OG1-N 2.71Å; I264-L266 PolarHBondContact O-N 2.69Å; I264-E269 HydrophobicContact CD1-CB 4.25Å; I264-E269 HydrophobicContact CD1-CG 3.72Å; I264-E269 WeakPolarHBondContact CD1-OE2 3.46Å; I264-E269 HydrophobicContact CG1-CG 4.47Å; I264-L271 HydrophobicContact CD1-CB 4.15Å; I264-L271 HydrophobicContact CG2-CB 3.5Å; I264-L271 VanDerWaalsContact CG2-CB 3.5Å; I264-L271 HydrophobicContact CG2-CD2 3.97Å; I264-L271 HydrophobicContact CG2-CG 4.36Å; I264-L288 HydrophobicContact CB-CD1 4.03Å; I264-L288 HydrophobicContact CG2-CD1 4.34Å |
| 265 | A | 57.7 | Low | 74 | Confident | 31 Ų | 31 | 31.7 Ų | 31.7 | 26% | 0.256 | 17% | 0.171 | S | C | . | . | S | Bend | trans | 69.9 | -21.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 117 | V285 L288 | A265-V285 HydrophobicContact CB-CG1 3.31Å; A265-L288 HydrophobicContact CB-CB 3.94Å |
| 266 | L | 67.6 | Low | 73.8 | Confident | 29 Ų | 29 | 33.4 Ų | 33.4 | 15% | 0.152 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -97.2 | 109.9 | -176.1 | -164 | 78.8 | 0 | 0 | 0 | 110.8 | P33 R156 T262 I264 G268 E269 A292 | P33-L266 HydrophobicContact CB-CD1 4.28Å; P33-L266 HydrophobicContact CB-CD2 4.33Å; R156-L266 VanDerWaalsContact NH2-CD2 3.35Å; T262-L266 WeakPolarHBondContact CB-O 3.42Å; T262-L266 PolarHBondContact OG1-O 3.3Å; I264-L266 PolarHBondContact O-N 2.69Å; L266-G268 PolarHBondContact O-N 2.78Å; L266-E269 HydrophobicContact CB-CB 4.24Å; L266-E269 HydrophobicContact CD2-CB 4.18Å; L266-E269 VanDerWaalsContact CD2-OE2 3.25Å; L266-E269 WeakPolarHBondContact CD2-OE2 3.34Å; L266-E269 PolarHBondContact O-N 3.45Å; L266-A292 HydrophobicContact CD1-CB 4.45Å |
| 267 | H | 72.2 | Confident | 73.3 | Confident | 120 Ų | 120 | 30.2 Ų | 30.2 | 56% | 0.556 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -42 | 127.4 | 177.1 | -66.3 | -55.5 | 0 | 0 | 0 | 112.4 | Y34 L259 T260 E269 | Y34-H267 WeakPolarHBondContact CE1-O 3.18Å; Y34-H267 PolarHBondContact OH-O 3.19Å; L259-H267 CarbonylContact O-C 3.55Å; T260-H267 PolarHBondContact O-ND1 3.4Å; H267-E269 VanDerWaalsContact C-N 3.28Å; H267-E269 PolarHBondContact O-N 3.22Å |
| 268 | G | 73.6 | Confident | 72.3 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.9 | 0.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q213 Y214 W258 L259 E261 L266 | Q213-G268 WeakPolarHBondContact CA-O 3.19Å; Y214-G268 PolarHBondContact N-O 2.73Å; W258-G268 WeakPolarHBondContact O-CA 3.41Å; L259-G268 PolarHBondContact O-N 3.21Å; E261-G268 PolarHBondContact O-N 3.27Å; E261-G268 VanDerWaalsContact O-N 3.11Å; L266-G268 PolarHBondContact O-N 2.78Å |
| 269 | E | 82.7 | Confident | 71 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 129 | 176.2 | -167.2 | 174.3 | -123.4 | 0 | 0 | 111.1 | R156 F211 M212 Q213 T262 I264 L266 H267 | R156-E269 IonicContact CZ-OE2 3.68Å; R156-E269 IonicContact NH2-OE1 2.76Å; R156-E269 PolarHBondContact NH2-OE1 2.78Å; R156-E269 IonicContact NH2-OE2 3.79Å; R156-E269 PolarHBondContact NH2-OE2 3.03Å; F211-E269 HydrophobicContact CD1-CG 4.16Å; M212-E269 WeakPolarHBondContact O-CA 3.44Å; Q213-E269 HydrophobicContact CG-CB 4.49Å; Q213-E269 HydrophobicContact CG-CG 3.9Å; Q213-E269 PolarHBondContact NE2-OE1 3.4Å; T262-E269 VanDerWaalsContact CB-O 3.22Å; T262-E269 WeakPolarHBondContact CB-O 3.47Å; T262-E269 PolarHBondContact OG1-O 3.05Å; I264-E269 HydrophobicContact CD1-CB 4.25Å; I264-E269 HydrophobicContact CD1-CG 3.72Å; I264-E269 WeakPolarHBondContact CD1-OE2 3.46Å; I264-E269 HydrophobicContact CG1-CG 4.47Å; L266-E269 HydrophobicContact CB-CB 4.24Å; L266-E269 HydrophobicContact CD2-CB 4.18Å; L266-E269 VanDerWaalsContact CD2-OE2 3.25Å; L266-E269 WeakPolarHBondContact CD2-OE2 3.34Å; L266-E269 PolarHBondContact O-N 3.45Å; H267-E269 VanDerWaalsContact C-N 3.28Å; H267-E269 PolarHBondContact O-N 3.22Å |
| 270 | W | 84.7 | Confident | 69.4 | Low | 12 Ų | 12 | 36.4 Ų | 36.4 | 5% | 0.045 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 139.1 | 177.7 | -64.1 | 81.7 | 0 | 0 | 0 | 110.5 | F211 M212 Y214 L246 P247 E261 N263 | F211-W270 CarbonylContact C-O 3.52Å; F211-W270 WeakPolarHBondContact CA-O 3.29Å; M212-W270 HydrophobicContact CB-CB 4.39Å; M212-W270 PolarHBondContact N-O 3.15Å; M212-W270 PolarHBondContact O-N 3.47Å; Y214-W270 AromaticContact CD2-CD1 3.93Å; Y214-W270 AromaticContact CE2-CD1 3.67Å; Y214-W270 AromaticContact CE2-NE1 3.91Å; L246-W270 HydrophobicContact CD2-CB 4.06Å; L246-W270 HydrophobicContact CD2-CD2 3.48Å; L246-W270 VanDerWaalsContact CD2-CD2 3.48Å; L246-W270 HydrophobicContact CD2-CE3 3.31Å; L246-W270 HydrophobicContact CD2-CG 3.83Å; L246-W270 HydrophobicContact CD2-CZ3 3.9Å; P247-W270 HydrophobicContact CB-CH2 4.22Å; P247-W270 HydrophobicContact CG-CH2 3.69Å; P247-W270 HydrophobicContact CG-CZ3 3.9Å; E261-W270 HydrophobicContact CB-CH2 4.24Å; E261-W270 HydrophobicContact CB-CZ2 3.62Å; E261-W270 PolarHBondContact O-NE1 2.89Å; N263-W270 HydrophobicContact CB-CE3 3.91Å; N263-W270 HydrophobicContact CB-CZ3 4.07Å; N263-W270 WeakPolarHBondContact OD1-CA 3.33Å |
| 271 | L | 86.1 | Confident | 68.3 | Low | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 123.6 | 173.9 | 174.4 | 54.4 | 0 | 0 | 0 | 109.9 | I161 Y165 Y209 A210 F211 N263 I264 | I161-L271 HydrophobicContact CG1-CD1 4.32Å; I161-L271 HydrophobicContact CG1-CD2 4.28Å; Y165-L271 HydrophobicContact CE2-CD2 3.79Å; Y165-L271 HydrophobicContact CE2-CG 3.92Å; Y209-L271 HydrophobicContact CD1-CD1 4.35Å; A210-L271 WeakPolarHBondContact O-CA 3.39Å; F211-L271 HydrophobicContact CD1-CB 4.12Å; F211-L271 HydrophobicContact CD1-CD1 4.15Å; F211-L271 HydrophobicContact CD2-CD1 4.05Å; F211-L271 HydrophobicContact CE1-CB 3.96Å; F211-L271 HydrophobicContact CE1-CD1 3.84Å; F211-L271 HydrophobicContact CE1-CD2 3.99Å; F211-L271 HydrophobicContact CE1-CG 4.14Å; F211-L271 HydrophobicContact CE2-CD1 3.74Å; F211-L271 HydrophobicContact CG-CD1 4.25Å; F211-L271 HydrophobicContact CZ-CD1 3.64Å; F211-L271 HydrophobicContact CZ-CD2 3.95Å; F211-L271 HydrophobicContact CZ-CG 4.26Å; N263-L271 PolarHBondContact ND2-O 3.42Å; N263-L271 PolarHBondContact OD1-N 2.04Å; I264-L271 HydrophobicContact CD1-CB 4.15Å; I264-L271 HydrophobicContact CG2-CB 3.5Å; I264-L271 VanDerWaalsContact CG2-CB 3.5Å; I264-L271 HydrophobicContact CG2-CD2 3.97Å; I264-L271 HydrophobicContact CG2-CG 4.36Å |
| 272 | V | 81.8 | Confident | 67.1 | Low | 4 Ų | 4 | 35.6 Ų | 35.6 | 2% | 0.024 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 132.2 | 178.8 | -169.2 | 0 | 0 | 0 | 0 | 109.1 | A210 M212 I236 Y244 L246 | A210-V272 PolarHBondContact N-O 2.8Å; A210-V272 PolarHBondContact O-N 3.05Å; M212-V272 HydrophobicContact SD-CG2 3.83Å; I236-V272 HydrophobicContact CD1-CG1 3.54Å; I236-V272 HydrophobicContact CG1-CG1 4.3Å; Y244-V272 HydrophobicContact CD1-CG1 3.66Å; Y244-V272 HydrophobicContact CD1-CG2 4.11Å; Y244-V272 HydrophobicContact CE1-CG1 4.27Å; Y244-V272 HydrophobicContact CE1-CG2 4.01Å; Y244-V272 HydrophobicContact CG-CG1 4.3Å; L246-V272 HydrophobicContact CD2-CG2 4.43Å |
| 273 | P | 84.7 | Confident | 66 | Low | 18 Ų | 18 | 34.7 Ų | 34.7 | 12% | 0.117 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 135.6 | 174.9 | 29.5 | -27.5 | 0 | 0 | 0 | 109.3 | Y165 Y209 Y275 | Y165-P273 HydrophobicContact CE1-CG 4.32Å; Y165-P273 WeakPolarHBondContact OH-CD 3.41Å; Y209-P273 HydrophobicContact CD1-CB 4.25Å; Y209-P273 HydrophobicContact CE1-CB 4.18Å; P273-Y275 HydrophobicContact CB-CD1 3.75Å; P273-Y275 HydrophobicContact CB-CE1 3.4Å; P273-Y275 HydrophobicContact CB-CE2 4.49Å; P273-Y275 HydrophobicContact CB-CG 4.42Å; P273-Y275 PolarHBondContact O-N 3.31Å; P273-Y275 VanDerWaalsContact O-N 3.16Å |
| 274 | L | 84.4 | Confident | 65.2 | Low | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -89.1 | 41.1 | 176.4 | -63.2 | -177.5 | 0 | 0 | 0 | 111.6 | I70 Y71 L119 I201 S208 A210 I236 | I70-L274 HydrophobicContact CD1-CD1 3.94Å; I70-L274 HydrophobicContact CG1-CB 4.42Å; I70-L274 HydrophobicContact CG1-CD1 3.93Å; I70-L274 HydrophobicContact CG2-CB 4.2Å; Y71-L274 WeakPolarHBondContact CD2-O 3.46Å; Y71-L274 VanDerWaalsContact CE2-C 3.44Å; Y71-L274 PolarHBondContact N-O 3.19Å; L119-L274 HydrophobicContact CD1-CD1 4.17Å; L119-L274 HydrophobicContact CD1-CD2 3.99Å; L119-L274 HydrophobicContact CD2-CD2 3.78Å; I201-L274 HydrophobicContact CD1-CD1 4.32Å; I201-L274 HydrophobicContact CG1-CD1 4.24Å; I201-L274 HydrophobicContact CG2-CD1 3.74Å; S208-L274 WeakPolarHBondContact O-CB 3.13Å; S208-L274 PolarHBondContact O-N 2.79Å; A210-L274 HydrophobicContact CB-CD1 4.09Å; A210-L274 HydrophobicContact CB-CD2 3.8Å; A210-L274 HydrophobicContact CB-CG 3.95Å; I236-L274 HydrophobicContact CD1-CD2 4.02Å; I236-L274 HydrophobicContact CG1-CD2 4.47Å |
| 275 | Y | 75.9 | Confident | 64.4 | Low | 22 Ų | 22 | 36.7 Ų | 36.7 | 9% | 0.086 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -158.6 | 166.8 | 177.9 | 64.4 | -83.2 | 0 | 0 | 0 | 109 | Y71 R207 Y209 P273 S277 | Y71-Y275 VanDerWaalsContact CE1-C 3.45Å; R207-Y275 HydrophobicContact CG-CD1 4.49Å; Y209-Y275 HydrophobicContact CD1-CE1 4.36Å; Y209-Y275 AromaticContact CE1-CE1 3.57Å; Y209-Y275 HydrophobicContact CE1-CE1 3.57Å; Y209-Y275 HydrophobicContact CE2-CE1 4.38Å; Y209-Y275 AromaticContact CZ-CE1 3.55Å; Y209-Y275 WeakPolarHBondContact OH-CE1 3.49Å; Y209-Y275 PolarHBondContact OH-OH 2.92Å; P273-Y275 HydrophobicContact CB-CD1 3.75Å; P273-Y275 HydrophobicContact CB-CE1 3.4Å; P273-Y275 HydrophobicContact CB-CE2 4.49Å; P273-Y275 HydrophobicContact CB-CG 4.42Å; P273-Y275 PolarHBondContact O-N 3.31Å; P273-Y275 VanDerWaalsContact O-N 3.16Å; Y275-S277 PolarHBondContact O-N 2.04Å |
| 276 | K | 63.5 | Low | 64.4 | Low | 66 Ų | 66 | 42.5 Ų | 42.5 | 29% | 0.287 | 22% | 0.216 | S | C | . | . | trans | -69.8 | 90.9 | 173.2 | -169.9 | -172.3 | 177.5 | -142.7 | 0 | 109.9 | E278 P1065 D1066 | K276-E278 WeakPolarHBondContact CE-OE1 3.43Å; K276-E278 IonicContact NZ-OE1 2.69Å; K276-E278 PolarHBondContact NZ-OE1 2.71Å; K276-P1065 PolarHBondContact NZ-O 2.88Å; K276-D1066 PolarHBondContact NZ-O 2.88Å | ||
| 277 | S | 57.4 | Low | 64.3 | Low | 32 Ų | 32 | 44.7 Ų | 44.7 | 22% | 0.224 | 23% | 0.228 | C | C | . | . | trans | -84.4 | 127.7 | 175.6 | -174.9 | 0 | 0 | 0 | 0 | 110.8 | Y275 | Y275-S277 PolarHBondContact O-N 2.04Š| ||
| 278 | E | 48.9 | Very low | 64.1 | Low | 52 Ų | 52 | 39 Ų | 39 | 24% | 0.243 | 20% | 0.201 | C | C | . | . | trans | -114.6 | 6 | -179 | -50.7 | -164 | 174.4 | 0 | 0 | 114 | K276 F1080 R1090 | K276-E278 WeakPolarHBondContact CE-OE1 3.43Å; K276-E278 IonicContact NZ-OE1 2.69Å; K276-E278 PolarHBondContact NZ-OE1 2.71Å; E278-F1080 HydrophobicContact CB-CE2 4.09Å; E278-F1080 HydrophobicContact CB-CZ 4.37Å; E278-F1080 HydrophobicContact CG-CE2 4.05Å; E278-F1080 HydrophobicContact CG-CZ 4.37Å; E278-F1080 WeakPolarHBondContact OE2-CE2 2.96Å; E278-F1080 WeakPolarHBondContact OE2-CZ 3.49Å; E278-R1090 PolarHBondContact O-NH1 2.86Å; E278-R1090 PolarHBondContact O-NH2 3.43Å; E278-R1090 IonicContact OE2-CZ 3.14Å; E278-R1090 IonicContact OE2-NH2 3.95Å; E278-R1090 PolarHBondContact OE2-NH2 2.89Å | ||
| 279 | N | 46 | Very low | 63.6 | Low | 56 Ų | 56 | 41.3 Ų | 41.3 | 30% | 0.299 | 22% | 0.218 | S | C | . | . | trans | -129.8 | 94.2 | 169.1 | -91.6 | -40 | 0 | 0 | 0 | 107.7 | E167 A281 R1090 | E167-N279 HydrophobicContact CG-CB 4.48Å; E167-N279 WeakPolarHBondContact OE1-CB 3.3Å; E167-N279 PolarHBondContact OE1-ND2 3.09Å; N279-A281 PolarHBondContact O-N 2.03Å; N279-R1090 WeakPolarHBondContact ND2-CD 3.35Å; N279-R1090 PolarHBondContact ND2-NH1 3.35Å; N279-R1090 VanDerWaalsContact ND2-NH1 3.16Å; N279-R1090 PolarHBondContact OD1-NH1 3.25Å | ||
| 280 | I | 41.8 | Very low | 63 | Low | 104 Ų | 104 | 43.9 Ų | 43.9 | 53% | 0.533 | 24% | 0.239 | S | C | . | . | trans | -74.3 | 116.3 | 149.4 | -62.3 | 176.6 | 0 | 0 | 0 | 104.2 | I283 | I280-I283 HydrophobicContact CG2-CD1 3.95Å; I280-I283 HydrophobicContact CG2-CG1 3.9Å | ||
| 281 | A | 44 | Very low | 62.4 | Low | 6 Ų | 6 | 43.8 Ų | 43.8 | 5% | 0.05 | 24% | 0.24 | C | C | . | . | trans | -57.7 | 149.7 | 170 | 0 | 0 | 0 | 0 | 0 | 108 | S164 I166 N279 I283 | S164-A281 VanDerWaalsContact O-CB 3.27Å; S164-A281 WeakPolarHBondContact O-CB 3.46Å; S164-A281 PolarHBondContact O-N 2.92Å; S164-A281 VanDerWaalsContact O-N 3.14Å; I166-A281 HydrophobicContact CB-CB 4.45Å; I166-A281 HydrophobicContact CD1-CB 3.49Å; I166-A281 VanDerWaalsContact CD1-CB 3.49Å; I166-A281 HydrophobicContact CG1-CB 3.59Å; N279-A281 PolarHBondContact O-N 2.03Å; A281-I283 WeakPolarHBondContact O-CG1 3.39Å; A281-I283 PolarHBondContact O-N 2.92Å | ||
| 282 | T | 44.7 | Very low | 61.5 | Low | 110 Ų | 110 | 44.5 Ų | 44.5 | 68% | 0.675 | 25% | 0.246 | S | C | * | . | trans | -61.4 | 94.6 | 167.6 | 21 | 0 | 0 | 0 | 0 | 108.1 | N284 | T282-N284 PolarHBondContact O-N 3.31Š| ||
| 283 | I | 49.3 | Very low | 60.9 | Low | 20 Ų | 20 | 48.1 Ų | 48.1 | 10% | 0.103 | 27% | 0.272 | C | S | . | . | trans | -66.6 | 107.8 | -163.1 | -56.4 | -171.6 | 0 | 0 | 0 | 106.8 | I280 A281 V285 L288 | I280-I283 HydrophobicContact CG2-CD1 3.95Å; I280-I283 HydrophobicContact CG2-CG1 3.9Å; A281-I283 WeakPolarHBondContact O-CG1 3.39Å; A281-I283 PolarHBondContact O-N 2.92Å; I283-V285 HydrophobicContact CB-CG2 4.37Å; I283-V285 HydrophobicContact CG2-CG2 4.03Å; I283-V285 VanDerWaalsContact O-CG2 3.25Å; I283-V285 WeakPolarHBondContact O-CG2 3.31Å; I283-V285 PolarHBondContact O-N 3.47Å; I283-L288 HydrophobicContact CG2-CD1 3.3Å; I283-L288 HydrophobicContact CG2-CG 4.12Å | ||
| 284 | N | 53.9 | Low | 60.3 | Low | 74 Ų | 74 | 52.4 Ų | 52.4 | 40% | 0.396 | 29% | 0.29 | S | S | . | . | trans | -75 | 86.3 | 176.4 | -173 | -16.3 | 0 | 0 | 0 | 108.2 | T282 K286 N287 L288 | T282-N284 PolarHBondContact O-N 3.31Å; N284-K286 PolarHBondContact O-N 3.17Å; N284-K286 VanDerWaalsContact O-N 3.13Å; N284-K286 WeakPolarHBondContact OD1-CB 3.44Å; N284-K286 PolarHBondContact OD1-N 2.02Å; N284-N287 HydrophobicContact CB-CB 4.19Å; N284-N287 PolarHBondContact ND2-ND2 3.43Å; N284-N287 PolarHBondContact ND2-OD1 2.85Å; N284-N287 WeakPolarHBondContact O-CA 3.42Å; N284-N287 VanDerWaalsContact O-CB 3.27Å; N284-N287 WeakPolarHBondContact O-CB 3.37Å; N284-N287 PolarHBondContact O-N 3.5Å; N284-N287 PolarHBondContact OD1-N 3.38Å; N284-L288 PolarHBondContact O-N 2.85Å; N284-L288 VanDerWaalsContact O-N 3.12Å | ||
| 285 | V | 52.1 | Low | 59.7 | Low | 13 Ų | 13 | 53.2 Ų | 53.2 | 8% | 0.079 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.9 | -19.5 | -175.1 | -164.7 | 0 | 0 | 0 | 0 | 111.6 | A265 I283 L288 S289 P773 | A265-V285 HydrophobicContact CB-CG1 3.31Å; I283-V285 HydrophobicContact CB-CG2 4.37Å; I283-V285 HydrophobicContact CG2-CG2 4.03Å; I283-V285 VanDerWaalsContact O-CG2 3.25Å; I283-V285 WeakPolarHBondContact O-CG2 3.31Å; I283-V285 PolarHBondContact O-N 3.47Å; V285-L288 PolarHBondContact O-N 2.05Å; V285-S289 WeakPolarHBondContact O-CB 3.09Å; V285-S289 PolarHBondContact O-N 3.19Å; V285-S289 PolarHBondContact O-OG 2.76Å; V285-P773 HydrophobicContact CB-CB 3.66Å; V285-P773 HydrophobicContact CB-CG 4.11Å; V285-P773 HydrophobicContact CG1-CB 3.71Å; V285-P773 HydrophobicContact CG1-CG 3.9Å; V285-P773 HydrophobicContact CG2-CB 3.8Å; V285-P773 HydrophobicContact CG2-CG 3.82Å |
| 286 | K | 57 | Low | 59.3 | Low | 154 Ų | 154 | 55.4 Ų | 55.4 | 67% | 0.67 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -66.2 | -37.1 | 167.1 | -62.4 | 177.6 | -179.2 | 169.2 | 0 | 111.7 | N284 S289 A290 | N284-K286 PolarHBondContact O-N 3.17Å; N284-K286 VanDerWaalsContact O-N 3.13Å; N284-K286 WeakPolarHBondContact OD1-CB 3.44Å; N284-K286 PolarHBondContact OD1-N 2.02Å; K286-S289 WeakPolarHBondContact CA-OG 3.34Å; K286-S289 PolarHBondContact O-OG 2.86Å; K286-A290 WeakPolarHBondContact O-CB 3.1Å; K286-A290 PolarHBondContact O-N 2.81Å |
| 287 | N | 66.3 | Low | 59.5 | Low | 74 Ų | 74 | 55.3 Ų | 55.3 | 40% | 0.396 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -68.3 | -44.3 | 171.9 | -67.2 | -4.4 | 0 | 0 | 0 | 111 | L163 N284 A290 V291 | L163-N287 HydrophobicContact CD1-CB 4.16Å; L163-N287 HydrophobicContact CD2-CB 4.16Å; N284-N287 HydrophobicContact CB-CB 4.19Å; N284-N287 PolarHBondContact ND2-ND2 3.43Å; N284-N287 PolarHBondContact ND2-OD1 2.85Å; N284-N287 WeakPolarHBondContact O-CA 3.42Å; N284-N287 VanDerWaalsContact O-CB 3.27Å; N284-N287 WeakPolarHBondContact O-CB 3.37Å; N284-N287 PolarHBondContact O-N 3.5Å; N284-N287 PolarHBondContact OD1-N 3.38Å; N287-A290 PolarHBondContact O-N 2.54Å; N287-V291 WeakPolarHBondContact O-CB 3.2Å; N287-V291 VanDerWaalsContact O-CG2 3.3Å; N287-V291 WeakPolarHBondContact O-CG2 3.19Å; N287-V291 PolarHBondContact O-N 3.03Å |
| 288 | L | 66.7 | Low | 60 | Low | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.5 | -47 | 177 | -69.5 | -179.9 | 0 | 0 | 0 | 112.7 | F160 L163 I264 A265 I283 N284 V285 V291 A292 | F160-L288 HydrophobicContact CB-CD2 4.25Å; F160-L288 HydrophobicContact CD1-CD2 3.54Å; F160-L288 HydrophobicContact CE1-CD2 4.16Å; F160-L288 HydrophobicContact CG-CD2 4.13Å; L163-L288 HydrophobicContact CB-CD2 3.61Å; L163-L288 HydrophobicContact CB-CG 4.42Å; L163-L288 HydrophobicContact CD1-CD2 3.9Å; L163-L288 HydrophobicContact CG-CD2 4.42Å; I264-L288 HydrophobicContact CB-CD1 4.03Å; I264-L288 HydrophobicContact CG2-CD1 4.34Å; A265-L288 HydrophobicContact CB-CB 3.94Å; I283-L288 HydrophobicContact CG2-CD1 3.3Å; I283-L288 HydrophobicContact CG2-CG 4.12Å; N284-L288 PolarHBondContact O-N 2.85Å; N284-L288 VanDerWaalsContact O-N 3.12Å; V285-L288 PolarHBondContact O-N 2.05Å; L288-V291 WeakPolarHBondContact O-CB 3.48Å; L288-V291 PolarHBondContact O-N 3.04Å; L288-A292 PolarHBondContact O-N 3.25Å |
| 289 | S | 64.8 | Low | 60.8 | Low | 50 Ų | 50 | 53.1 Ų | 53.1 | 35% | 0.35 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -67.9 | -33.7 | 177.3 | 53.8 | 0 | 0 | 0 | 0 | 112.9 | V285 K286 A292 S293 | V285-S289 WeakPolarHBondContact O-CB 3.09Å; V285-S289 PolarHBondContact O-N 3.19Å; V285-S289 PolarHBondContact O-OG 2.76Å; K286-S289 WeakPolarHBondContact CA-OG 3.34Å; K286-S289 PolarHBondContact O-OG 2.86Å; S289-A292 PolarHBondContact O-N 2.99Å; S289-S293 WeakPolarHBondContact O-CB 3.41Å; S289-S293 PolarHBondContact O-N 2.91Å; S289-S293 PolarHBondContact O-OG 3.48Å |
| 290 | A | 70.2 | Confident | 61.7 | Low | 54 Ų | 54 | 54.1 Ų | 54.1 | 45% | 0.446 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.4 | -42.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | K286 N287 S293 E294 | K286-A290 WeakPolarHBondContact O-CB 3.1Å; K286-A290 PolarHBondContact O-N 2.81Å; N287-A290 PolarHBondContact O-N 2.54Å; A290-S293 PolarHBondContact O-N 2.83Å; A290-E294 WeakPolarHBondContact O-CB 3.26Å; A290-E294 PolarHBondContact O-N 3.46Å |
| 291 | V | 71 | Confident | 62.9 | Low | 10 Ų | 10 | 52.1 Ų | 52.1 | 6% | 0.061 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.3 | -43.1 | 174.4 | 166.1 | 0 | 0 | 0 | 0 | 112.1 | R156 K159 F160 L163 N287 L288 S293 E294 F295 | R156-V291 HydrophobicContact CG-CG1 4.49Å; K159-V291 HydrophobicContact CB-CG1 4.23Å; K159-V291 HydrophobicContact CD-CB 4.37Å; K159-V291 HydrophobicContact CD-CG1 3.74Å; K159-V291 HydrophobicContact CD-CG2 3.65Å; K159-V291 HydrophobicContact CG-CG1 4.02Å; K159-V291 HydrophobicContact CG-CG2 4Å; F160-V291 HydrophobicContact CD1-CG1 3.95Å; F160-V291 HydrophobicContact CE1-CB 4.11Å; F160-V291 HydrophobicContact CE1-CG1 3.65Å; L163-V291 HydrophobicContact CD1-CG2 3.72Å; N287-V291 WeakPolarHBondContact O-CB 3.2Å; N287-V291 VanDerWaalsContact O-CG2 3.3Å; N287-V291 WeakPolarHBondContact O-CG2 3.19Å; N287-V291 PolarHBondContact O-N 3.03Å; L288-V291 WeakPolarHBondContact O-CB 3.48Å; L288-V291 PolarHBondContact O-N 3.04Å; V291-S293 VanDerWaalsContact C-N 3.34Å; V291-S293 PolarHBondContact O-N 3.28Å; V291-E294 PolarHBondContact O-N 2.9Å; V291-F295 WeakPolarHBondContact O-CB 3.12Å; V291-F295 PolarHBondContact O-N 2.84Å |
| 292 | A | 67 | Low | 64 | Low | 15 Ų | 15 | 57 Ų | 57 | 12% | 0.124 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.2 | -43.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | F160 L266 L288 S289 F295 V296 | F160-A292 HydrophobicContact CZ-CB 4.16Å; L266-A292 HydrophobicContact CD1-CB 4.45Å; L288-A292 PolarHBondContact O-N 3.25Å; S289-A292 PolarHBondContact O-N 2.99Å; A292-F295 PolarHBondContact O-N 3.43Å; A292-V296 WeakPolarHBondContact O-CG2 3.47Å; A292-V296 PolarHBondContact O-N 1.89Å |
| 293 | S | 68.5 | Low | 65 | Low | 80 Ų | 80 | 52.4 Ų | 52.4 | 56% | 0.559 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -69.4 | -43.3 | 179.1 | -56.7 | 0 | 0 | 0 | 0 | 112.4 | S289 A290 V291 F295 V296 A297 | S289-S293 WeakPolarHBondContact O-CB 3.41Å; S289-S293 PolarHBondContact O-N 2.91Å; S289-S293 PolarHBondContact O-OG 3.48Å; A290-S293 PolarHBondContact O-N 2.83Å; V291-S293 VanDerWaalsContact C-N 3.34Å; V291-S293 PolarHBondContact O-N 3.28Å; S293-F295 VanDerWaalsContact C-N 3.33Å; S293-V296 PolarHBondContact O-N 3.37Å; S293-A297 WeakPolarHBondContact O-CB 3.35Å; S293-A297 PolarHBondContact O-N 2.88Å |
| 294 | E | 72.1 | Confident | 65.1 | Low | 107 Ų | 107 | 59.5 Ų | 59.5 | 50% | 0.5 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59.5 | -44.1 | 173 | 179.3 | -173 | -152.1 | 0 | 0 | 110.5 | K159 A290 V291 A297 S298 | K159-E294 IonicContact NZ-OE1 2.82Å; K159-E294 IonicContact NZ-OE2 3.46Å; K159-E294 PolarHBondContact NZ-OE2 2.89Å; A290-E294 WeakPolarHBondContact O-CB 3.26Å; A290-E294 PolarHBondContact O-N 3.46Å; V291-E294 PolarHBondContact O-N 2.9Å; E294-A297 PolarHBondContact O-N 2.89Å; E294-S298 WeakPolarHBondContact O-CB 3.42Å; E294-S298 PolarHBondContact O-N 3.14Å; E294-S298 PolarHBondContact O-OG 3.38Å |
| 295 | F | 73.2 | Confident | 64.9 | Low | 18 Ų | 18 | 58 Ų | 58 | 8% | 0.079 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59.1 | -50.9 | 176.1 | 166.5 | -101.3 | 0 | 0 | 0 | 111.6 | M152 Q153 R156 V291 A292 S293 A297 S298 L299 | M152-F295 VanDerWaalsContact C-CE2 3.46Å; M152-F295 HydrophobicContact CB-CD2 4.32Å; M152-F295 HydrophobicContact CB-CE2 3.85Å; M152-F295 WeakPolarHBondContact O-CD2 3.47Å; M152-F295 WeakPolarHBondContact O-CE2 3.39Å; Q153-F295 HydrophobicContact CB-CE2 4.47Å; Q153-F295 HydrophobicContact CB-CZ 4.39Å; Q153-F295 HydrophobicContact CG-CE2 4.05Å; Q153-F295 HydrophobicContact CG-CZ 3.56Å; R156-F295 HydrophobicContact CB-CD2 3.93Å; R156-F295 HydrophobicContact CB-CE2 4.41Å; R156-F295 HydrophobicContact CB-CG 4.1Å; R156-F295 HydrophobicContact CG-CB 4.23Å; R156-F295 HydrophobicContact CG-CD1 4.32Å; R156-F295 HydrophobicContact CG-CD2 4.37Å; R156-F295 HydrophobicContact CG-CG 4.01Å; V291-F295 WeakPolarHBondContact O-CB 3.12Å; V291-F295 PolarHBondContact O-N 2.84Å; A292-F295 PolarHBondContact O-N 3.43Å; S293-F295 VanDerWaalsContact C-N 3.33Å; F295-A297 PolarHBondContact O-N 3.44Å; F295-S298 WeakPolarHBondContact CA-OG 3.06Å; F295-S298 PolarHBondContact O-N 3.32Å; F295-S298 PolarHBondContact O-OG 3.49Å; F295-L299 HydrophobicContact CE1-CD1 4.26Å; F295-L299 HydrophobicContact CE2-CD1 3.5Å; F295-L299 HydrophobicContact CZ-CD1 3.3Å; F295-L299 WeakPolarHBondContact O-CB 3.47Å; F295-L299 PolarHBondContact O-N 2.94Å |
| 296 | V | 67 | Low | 64.5 | Low | 69 Ų | 69 | 60 Ų | 60 | 42% | 0.418 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.6 | -43.6 | 179 | 173.4 | 0 | 0 | 0 | 0 | 111.9 | A292 S293 I323 | A292-V296 WeakPolarHBondContact O-CG2 3.47Å; A292-V296 PolarHBondContact O-N 1.89Å; S293-V296 PolarHBondContact O-N 3.37Å; V296-I323 HydrophobicContact CG1-CD1 3.96Å |
| 297 | A | 67.6 | Low | 63.6 | Low | 64 Ų | 64 | 59.5 Ų | 59.5 | 53% | 0.529 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -68.2 | -38.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | S293 E294 F295 S301 | S293-A297 WeakPolarHBondContact O-CB 3.35Å; S293-A297 PolarHBondContact O-N 2.88Å; E294-A297 PolarHBondContact O-N 2.89Å; F295-A297 PolarHBondContact O-N 3.44Å; A297-S301 PolarHBondContact O-N 2.83Å; A297-S301 PolarHBondContact O-OG 2.83Å |
| 298 | S | 68 | Low | 62 | Low | 26 Ų | 26 | 63.3 Ų | 63.3 | 18% | 0.182 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -70.2 | -38 | 178 | 60.2 | 0 | 0 | 0 | 0 | 111.3 | M152 E294 F295 A300 S301 I302 | M152-S298 WeakPolarHBondContact CE-OG 3.36Å; E294-S298 WeakPolarHBondContact O-CB 3.42Å; E294-S298 PolarHBondContact O-N 3.14Å; E294-S298 PolarHBondContact O-OG 3.38Å; F295-S298 WeakPolarHBondContact CA-OG 3.06Å; F295-S298 PolarHBondContact O-N 3.32Å; F295-S298 PolarHBondContact O-OG 3.49Å; S298-A300 VanDerWaalsContact C-N 3.35Å; S298-A300 PolarHBondContact O-N 2.61Å; S298-S301 WeakPolarHBondContact CA-OG 3.49Å; S298-S301 PolarHBondContact O-N 2.84Å; S298-S301 PolarHBondContact O-OG 2.85Å; S298-S301 VanDerWaalsContact O-OG 3.04Å; S298-I302 WeakPolarHBondContact O-CB 3.38Å; S298-I302 WeakPolarHBondContact O-CG1 3.03Å; S298-I302 PolarHBondContact O-N 3.23Å |
| 299 | L | 66.1 | Low | 60.1 | Low | 12 Ų | 12 | 67.7 Ų | 67.7 | 6% | 0.063 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -59 | -44.2 | 179.5 | -158.6 | 127.5 | 0 | 0 | 0 | 112.3 | L31 V149 M152 F295 S301 C303 | L31-L299 HydrophobicContact CD1-CD2 4.41Å; L31-L299 HydrophobicContact CD2-CD2 4.22Å; V149-L299 HydrophobicContact CB-CD1 4.49Å; V149-L299 HydrophobicContact CG1-CD1 4.1Å; V149-L299 HydrophobicContact CG1-CD2 4.48Å; V149-L299 HydrophobicContact CG2-CD2 4.19Å; V149-L299 HydrophobicContact CG2-CG 4.46Å; M152-L299 HydrophobicContact CB-CD1 4.46Å; M152-L299 HydrophobicContact CE-CB 4.36Å; F295-L299 HydrophobicContact CE1-CD1 4.26Å; F295-L299 HydrophobicContact CE2-CD1 3.5Å; F295-L299 HydrophobicContact CZ-CD1 3.3Å; F295-L299 WeakPolarHBondContact O-CB 3.47Å; F295-L299 PolarHBondContact O-N 2.94Å; L299-S301 VanDerWaalsContact C-N 3.29Å; L299-S301 PolarHBondContact O-N 3.01Å; L299-C303 WeakPolarHBondContact O-CB 3.47Å; L299-C303 PolarHBondContact O-N 2.88Å |
| 300 | A | 64.2 | Low | 58.3 | Low | 76 Ų | 76 | 72.9 Ų | 72.9 | 63% | 0.628 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -69.1 | -22.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114 | S298 | S298-A300 VanDerWaalsContact C-N 3.35Å; S298-A300 PolarHBondContact O-N 2.61Å |
| 301 | S | 66.6 | Low | 56.1 | Low | 63 Ų | 63 | 79.5 Ų | 79.5 | 44% | 0.441 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -98.3 | -36.2 | -176 | 64 | 0 | 0 | 0 | 0 | 114.1 | A297 S298 L299 K304 | A297-S301 PolarHBondContact O-N 2.83Å; A297-S301 PolarHBondContact O-OG 2.83Å; S298-S301 WeakPolarHBondContact CA-OG 3.49Å; S298-S301 PolarHBondContact O-N 2.84Å; S298-S301 PolarHBondContact O-OG 2.85Å; S298-S301 VanDerWaalsContact O-OG 3.04Å; L299-S301 VanDerWaalsContact C-N 3.29Å; L299-S301 PolarHBondContact O-N 3.01Å; S301-K304 WeakPolarHBondContact O-CD 3.18Å; S301-K304 WeakPolarHBondContact O-CE 2.94Å; S301-K304 WeakPolarHBondContact O-CG 3.35Å |
| 302 | I | 68.1 | Low | 53.8 | Low | 109 Ų | 109 | 83.8 Ų | 83.8 | 56% | 0.559 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -86.9 | -47 | -176.8 | -61.2 | 179.9 | 0 | 0 | 0 | 110.8 | M152 S298 K304 | M152-I302 HydrophobicContact CE-CB 4.45Å; M152-I302 HydrophobicContact CE-CD1 3.97Å; M152-I302 HydrophobicContact SD-CB 4.02Å; M152-I302 HydrophobicContact SD-CD1 4.33Å; M152-I302 HydrophobicContact SD-CG2 4.05Å; S298-I302 WeakPolarHBondContact O-CB 3.38Å; S298-I302 WeakPolarHBondContact O-CG1 3.03Å; S298-I302 PolarHBondContact O-N 3.23Å; I302-K304 PolarHBondContact O-N 2.62Å |
| 303 | C | 65.2 | Low | 51.8 | Low | 13 Ų | 13 | 90.3 Ų | 90.3 | 9% | 0.088 | 52% | 0.519 | C | S | . | . | trans | -79.5 | 36.6 | -176.1 | -56.7 | 0 | 0 | 0 | 0 | 114 | C148 V149 M152 L299 G305 S306 | C148-C303 HydrophobicContact CB-CB 3.78Å; C148-C303 WeakPolarHBondContact CB-SG 3.4Å; C148-C303 WeakPolarHBondContact SG-CA 3.46Å; C148-C303 WeakPolarHBondContact SG-CB 3.06Å; C148-C303 CovalentContact SG-SG 2.04Å; C148-C303 PolarHBondContact SG-SG 2.86Å; V149-C303 HydrophobicContact CG2-CB 4.45Å; M152-C303 PolarHBondContact SD-SG 3.24Å; L299-C303 WeakPolarHBondContact O-CB 3.47Å; L299-C303 PolarHBondContact O-N 2.88Å; C303-G305 VanDerWaalsContact C-N 3.32Å; C303-G305 PolarHBondContact O-N 2.85Å; C303-S306 PolarHBondContact O-OG 3.16Å | ||
| 304 | K | 51.2 | Low | 49.8 | Very low | 168 Ų | 168 | 93.1 Ų | 93.1 | 73% | 0.73 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | 82.3 | 176.3 | -75.1 | 178.8 | -179.9 | 167.8 | 0 | 111.5 | S301 I302 | S301-K304 WeakPolarHBondContact O-CD 3.18Å; S301-K304 WeakPolarHBondContact O-CE 2.94Å; S301-K304 WeakPolarHBondContact O-CG 3.35Å; I302-K304 PolarHBondContact O-N 2.62Å |
| 305 | G | 50.9 | Low | 47.5 | Very low | 42 Ų | 42 | 96.4 Ų | 96.4 | 43% | 0.433 | 54% | 0.543 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 159.9 | -36.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | C303 L307 H308 | C303-G305 VanDerWaalsContact C-N 3.32Å; C303-G305 PolarHBondContact O-N 2.85Å; G305-L307 VanDerWaalsContact C-N 3.27Å; G305-L307 PolarHBondContact O-N 3.22Å; G305-H308 PolarHBondContact O-N 3.2Å |
| 306 | S | 43.1 | Very low | 45.1 | Very low | 56 Ų | 56 | 101.8 Ų | 101.8 | 39% | 0.392 | 58% | 0.577 | S | S | . | * | G | 310 helix | trans | -68.8 | -25.6 | 175.4 | 47.9 | 0 | 0 | 0 | 0 | 112.7 | C303 H308 | C303-S306 PolarHBondContact O-OG 3.16Å; S306-H308 PolarHBondContact O-N 2.76Å |
| 307 | L | 38 | Very low | 42.9 | Very low | 143 Ų | 143 | 103.7 Ų | 103.7 | 75% | 0.749 | 59% | 0.591 | S | S | * | * | G | 310 helix | trans | -75.5 | -1.6 | 170.7 | -132.9 | 78 | 0 | 0 | 0 | 114.2 | G305 | G305-L307 VanDerWaalsContact C-N 3.27Å; G305-L307 PolarHBondContact O-N 3.22Å |
| 308 | H | 32 | Very low | 40.6 | Very low | 154 Ų | 154 | 106 Ų | 106 | 71% | 0.713 | 60% | 0.604 | S | S | * | * | G | 310 helix | trans | -112.7 | 7.9 | -170.3 | -94.6 | -44.7 | 0 | 0 | 0 | 115.7 | G305 S306 | G305-H308 PolarHBondContact O-N 3.2Å; S306-H308 PolarHBondContact O-N 2.76Å |
| 309 | S | 26.9 | Very low | 38.4 | Very low | 93 Ų | 93 | 108.4 Ų | 108.4 | 65% | 0.65 | 61% | 0.614 | S | S | * | * | trans | -80.7 | -13.7 | -179.8 | 50.9 | 0 | 0 | 0 | 0 | 115.2 | K311 | S309-K311 VanDerWaalsContact C-N 3.28Å; S309-K311 PolarHBondContact O-N 2.79Å | ||
| 310 | L | 26.6 | Very low | 36.3 | Very low | 158 Ų | 158 | 113.6 Ų | 113.6 | 83% | 0.827 | 65% | 0.647 | S | S | * | * | trans | -82.5 | 69.3 | 175.8 | -81.3 | 155.4 | 0 | 0 | 0 | 112.1 | ||||
| 311 | K | 23.7 | Very low | 34.4 | Very low | 193 Ų | 193 | 112.2 Ų | 112.2 | 84% | 0.839 | 63% | 0.631 | S | S | * | * | trans | -132.3 | 73.7 | 165.2 | -87.9 | -167.1 | 175.9 | -179.6 | 0 | 111.5 | S309 | S309-K311 VanDerWaalsContact C-N 3.28Å; S309-K311 PolarHBondContact O-N 2.79Å | ||
| 312 | S | 24 | Very low | 32.4 | Very low | 101 Ų | 101 | 115.2 Ų | 115.2 | 71% | 0.706 | 65% | 0.646 | S | S | * | * | trans | -154.9 | 113.6 | 154.5 | 61.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 313 | N | 24.9 | Very low | 30.2 | Very low | 152 Ų | 152 | 114.7 Ų | 114.7 | 81% | 0.813 | 64% | 0.643 | S | S | * | * | trans | 49.1 | 128.2 | 143.9 | -56 | -12.9 | 0 | 0 | 0 | 121.1 | ||||
| 314 | N | 26.4 | Very low | 28.1 | Very low | 139 Ų | 139 | 123.5 Ų | 123.5 | 74% | 0.743 | 68% | 0.68 | S | S | * | * | trans | 81.8 | 112.2 | 157.5 | -61.7 | 5.7 | 0 | 0 | 0 | 118.7 | ||||
| 315 | E | 24 | Very low | 26.7 | Very low | 176 Ų | 176 | 121.9 Ų | 121.9 | 82% | 0.822 | 68% | 0.679 | S | S | * | * | S | Bend | trans | 61.9 | 60.4 | 130.7 | -58.2 | -178.6 | 164.8 | 0 | 0 | 118.5 | ||
| 316 | T | 21.6 | Very low | 25.3 | Very low | 130 Ų | 130 | 125.9 Ų | 125.9 | 80% | 0.798 | 70% | 0.695 | S | S | * | * | 171.6 | 137.2 | 122.8 | 30.4 | 0 | 0 | 0 | 0 | 109.1 | S318 | T316-S318 PolarHBondContact O-N 3.16Š| |||
| 317 | P | 21.8 | Very low | 24.3 | Very low | 109 Ų | 109 | 128.9 Ų | 128.9 | 71% | 0.708 | 71% | 0.707 | S | S | * | * | trans | -79.3 | 105.6 | -174.8 | 30.6 | -32.6 | 0 | 0 | 0 | 111.5 | D319 | P317-D319 PolarHBondContact O-N 3.17Š| ||
| 318 | S | 19.6 | Very low | 23.6 | Very low | 113 Ų | 113 | 128.6 Ų | 128.6 | 79% | 0.79 | 71% | 0.711 | S | S | * | * | trans | -85.2 | 98 | 156.8 | 45 | 0 | 0 | 0 | 0 | 108.5 | T316 T320 | T316-S318 PolarHBondContact O-N 3.16Å; S318-T320 PolarHBondContact O-N 2.87Å | ||
| 319 | D | 22 | Very low | 23.2 | Very low | 76 Ų | 76 | 128.7 Ų | 128.7 | 41% | 0.406 | 71% | 0.712 | S | S | . | * | trans | -72.8 | 120.2 | -169 | -74.2 | -43.6 | 0 | 0 | 0 | 112.9 | L28 T29 P317 | L28-D319 HydrophobicContact CD2-CB 3.6Å; L28-D319 HydrophobicContact CG-CB 4.22Å; T29-D319 PolarHBondContact OG1-O 3.42Å; P317-D319 PolarHBondContact O-N 3.17Å | ||
| 320 | T | 22.4 | Very low | 23 | Very low | 122 Ų | 122 | 131.9 Ų | 131.9 | 75% | 0.748 | 72% | 0.721 | S | S | * | * | B | Isolated β-bridge | trans | -55.6 | 138.2 | 171.6 | 47.3 | 0 | 0 | 0 | 0 | 112.3 | L28 S318 | L28-T320 WeakPolarHBondContact CD2-O 2.93Å; S318-T320 PolarHBondContact O-N 2.87Å |
| 321 | V | 23.3 | Very low | 22.8 | Very low | 47 Ų | 47 | 130.7 Ų | 130.7 | 29% | 0.285 | 72% | 0.721 | S | S | . | * | trans | -114 | 153.6 | 172.7 | 133.1 | 0 | 0 | 0 | 0 | 118.6 | L28 T29 Q30 | L28-V321 HydrophobicContact CB-CG2 3.34Å; L28-V321 HydrophobicContact CD2-CG2 3.66Å; L28-V321 HydrophobicContact CG-CG2 4.04Å; L28-V321 WeakPolarHBondContact O-CG2 3.02Å; T29-V321 WeakPolarHBondContact O-CB 3.41Å; T29-V321 WeakPolarHBondContact O-CG1 3.49Å; T29-V321 PolarHBondContact OG1-N 3.19Å; Q30-V321 VanDerWaalsContact CA-CG1 3.46Å; Q30-V321 HydrophobicContact CG-CG1 4.29Å | ||
| 322 | V | 24.2 | Very low | 22.9 | Very low | 126 Ų | 126 | 127 Ų | 127 | 76% | 0.764 | 72% | 0.719 | S | S | * | * | trans | -113.7 | 128.4 | 179.1 | 171 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 323 | I | 22.5 | Very low | 22.9 | Very low | 98 Ų | 98 | 131.3 Ų | 131.3 | 50% | 0.503 | 73% | 0.728 | S | S | . | * | trans | -57.7 | 139.3 | 165.9 | -65.6 | 170.8 | 0 | 0 | 0 | 108.4 | V296 N325 | V296-I323 HydrophobicContact CG1-CD1 3.96Å; I323-N325 VanDerWaalsContact C-N 3.3Å; I323-N325 PolarHBondContact O-N 2.88Å | ||
| 324 | K | 20.7 | Very low | 22.7 | Very low | 198 Ų | 198 | 133 Ų | 133 | 86% | 0.861 | 73% | 0.731 | S | S | * | * | trans | -56.5 | 93.4 | 168.3 | -89.5 | -175.6 | 176 | 173.3 | 0 | 110 | V326 | K324-V326 PolarHBondContact O-N 3Š| ||
| 325 | N | 21.7 | Very low | 22.9 | Very low | 133 Ų | 133 | 131.5 Ų | 131.5 | 71% | 0.711 | 73% | 0.729 | S | S | * | * | trans | -69.1 | 123.1 | 159 | -151.6 | 5 | 0 | 0 | 0 | 106.1 | I323 N327 | I323-N325 VanDerWaalsContact C-N 3.3Å; I323-N325 PolarHBondContact O-N 2.88Å; N325-N327 PolarHBondContact O-N 2.9Å | ||
| 326 | V | 22.2 | Very low | 22.8 | Very low | 127 Ų | 127 | 129.5 Ų | 129.5 | 77% | 0.77 | 72% | 0.723 | S | S | * | * | trans | -73.9 | 77.5 | 177.9 | -179.3 | 0 | 0 | 0 | 0 | 107.6 | K324 T328 | K324-V326 PolarHBondContact O-N 3Å; V326-T328 PolarHBondContact O-N 3.3Å; V326-T328 VanDerWaalsContact O-N 3.1Å | ||
| 327 | N | 21.6 | Very low | 22.9 | Very low | 118 Ų | 118 | 127.5 Ų | 127.5 | 63% | 0.631 | 72% | 0.719 | S | S | * | * | trans | -76.6 | 102.1 | -175 | -144.2 | 39.8 | 0 | 0 | 0 | 108.1 | N325 E329 | N325-N327 PolarHBondContact O-N 2.9Å; N327-E329 PolarHBondContact O-N 2.85Å | ||
| 328 | T | 23.5 | Very low | 23 | Very low | 137 Ų | 137 | 133.9 Ų | 133.9 | 84% | 0.84 | 73% | 0.73 | S | S | * | * | trans | -73.9 | 30.3 | -177.9 | 34.9 | 0 | 0 | 0 | 0 | 113.4 | V326 | V326-T328 PolarHBondContact O-N 3.3Å; V326-T328 VanDerWaalsContact O-N 3.1Å | ||
| 329 | E | 23 | Very low | 23.2 | Very low | 157 Ų | 157 | 134 Ų | 134 | 73% | 0.734 | 73% | 0.725 | S | S | * | * | trans | -131.1 | 68.5 | -178.3 | -67 | -168 | 164.3 | 0 | 0 | 111.2 | N327 | N327-E329 PolarHBondContact O-N 2.85Š| ||
| 330 | N | 23.1 | Very low | 23.4 | Very low | 159 Ų | 159 | 138.7 Ų | 138.7 | 85% | 0.85 | 75% | 0.745 | S | S | * | * | -153.3 | 133.6 | 126.8 | -121.9 | -22.7 | 0 | 0 | 0 | 112.2 | |||||
| 331 | T | 23.4 | Very low | 23.6 | Very low | 134 Ų | 134 | 137.9 Ų | 137.9 | 82% | 0.822 | 74% | 0.744 | S | S | * | * | trans | -82.8 | 122.4 | -171.2 | 47.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 332 | S | 24.4 | Very low | 23.6 | Very low | 114 Ų | 114 | 144 Ų | 144 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | trans | -142 | 87.8 | 153.4 | 64.3 | 0 | 0 | 0 | 0 | 110.5 | E334 | S332-E334 PolarHBondContact O-N 3Š| ||
| 333 | E | 24.3 | Very low | 23.6 | Very low | 193 Ų | 193 | 148.2 Ų | 148.2 | 90% | 0.902 | 78% | 0.775 | S | S | * | * | trans | 0.4 | 94.9 | 154.1 | -57.4 | 176.9 | 153.7 | 0 | 0 | 117.7 | ||||
| 334 | E | 22.4 | Very low | 23.7 | Very low | 186 Ų | 186 | 155.4 Ų | 155.4 | 87% | 0.869 | 80% | 0.796 | S | S | * | * | trans | -156.8 | 151.4 | 137.8 | -108.7 | -171.3 | 169.4 | 0 | 0 | 109.2 | S332 | S332-E334 PolarHBondContact O-N 3Š| ||
| 335 | P | 29.1 | Very low | 23.9 | Very low | 108 Ų | 108 | 150 Ų | 150 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | -105.5 | 142.7 | -110.6 | -4.3 | 24.5 | 0 | 0 | 0 | 115.7 | A337 | P335-A337 PolarHBondContact O-N 3.18Š| |||
| 336 | I | 22.2 | Very low | 24 | Very low | 134 Ų | 134 | 151.2 Ų | 151.2 | 69% | 0.687 | 79% | 0.794 | S | S | * | * | trans | -62.1 | 97.8 | 162.6 | -61 | 158.6 | 0 | 0 | 0 | 108.9 | ||||
| 337 | A | 24.8 | Very low | 24.3 | Very low | 88 Ų | 88 | 153.9 Ų | 153.9 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | trans | -123.8 | 24.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | P335 | P335-A337 PolarHBondContact O-N 3.18Š| ||
| 338 | R | 23.4 | Very low | 24.6 | Very low | 244 Ų | 244 | 155.3 Ų | 155.3 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -158 | 22.5 | 176.4 | -115.7 | 165.7 | -151.2 | -151 | 5.1 | 118.8 | ||
| 339 | T | 23.7 | Very low | 24.7 | Very low | 114 Ų | 114 | 156.2 Ų | 156.2 | 70% | 0.699 | 80% | 0.804 | S | S | * | * | trans | -148.8 | 29.5 | 177.3 | -2.9 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 340 | H | 25.3 | Very low | 24.8 | Very low | 176 Ų | 176 | 157.9 Ų | 157.9 | 82% | 0.815 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -99.7 | 72.7 | 170.4 | -93.8 | -66.6 | 0 | 0 | 0 | 113.2 | ||
| 341 | S | 26.5 | Very low | 25 | Very low | 104 Ų | 104 | 157.1 Ų | 157.1 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -155.8 | -23.2 | 163.2 | 57.4 | 0 | 0 | 0 | 0 | 115 | K343 | S341-K343 PolarHBondContact O-N 3.34Š|
| 342 | F | 23.5 | Very low | 25 | Very low | 177 Ų | 177 | 161 Ų | 161 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | -8.1 | -165.8 | -129.7 | -92.1 | 0 | 0 | 0 | 117.1 | ||
| 343 | K | 24.4 | Very low | 24.9 | Very low | 214 Ų | 214 | 162.4 Ų | 162.4 | 93% | 0.93 | 81% | 0.808 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.9 | 28.4 | -170.5 | -130 | -178.7 | -172 | -176.9 | 0 | 115.9 | S341 | S341-K343 PolarHBondContact O-N 3.34Š|
| 344 | R | 25.2 | Very low | 24.9 | Very low | 249 Ų | 249 | 160.6 Ų | 160.6 | 94% | 0.94 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -132 | 10.1 | 176.3 | -136 | -176.5 | -156.3 | 170.4 | 8.7 | 116.5 | ||
| 345 | A | 24 | Very low | 24.8 | Very low | 85 Ų | 85 | 158.6 Ų | 158.6 | 70% | 0.702 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -120.3 | -14.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | E347 | A345-E347 PolarHBondContact O-N 3.38Š|
| 346 | L | 24.7 | Very low | 24.4 | Very low | 158 Ų | 158 | 159.7 Ų | 159.7 | 83% | 0.827 | 80% | 0.803 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -0 | -169.4 | -135.2 | 90.2 | 0 | 0 | 0 | 116.1 | ||
| 347 | E | 27.4 | Very low | 24.5 | Very low | 182 Ų | 182 | 158 Ų | 158 | 85% | 0.85 | 80% | 0.804 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.9 | -0.5 | -173.8 | -88.9 | -173.2 | 177.8 | 0 | 0 | 115.6 | A345 | A345-E347 PolarHBondContact O-N 3.38Š|
| 348 | N | 28.6 | Very low | 24.3 | Very low | 149 Ų | 149 | 159.3 Ų | 159.3 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -151.6 | 74.4 | 171.3 | -79.5 | -74.2 | 0 | 0 | 0 | 111.8 | ||
| 349 | L | 24.8 | Very low | 24.3 | Very low | 156 Ų | 156 | 154.3 Ų | 154.3 | 82% | 0.817 | 79% | 0.794 | S | S | * | * | trans | -169.3 | 78.5 | 139.6 | -127 | 81.6 | 0 | 0 | 0 | 111 | ||||
| 350 | E | 25.1 | Very low | 24.3 | Very low | 191 Ų | 191 | 154.8 Ų | 154.8 | 89% | 0.893 | 79% | 0.792 | S | S | * | * | trans | -78.9 | 146 | 143.3 | -74.8 | -172.8 | 151.7 | 0 | 0 | 107.9 | ||||
| 351 | N | 27.9 | Very low | 24.2 | Very low | 144 Ų | 144 | 155.6 Ų | 155.6 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | trans | 64.7 | 91 | -173.6 | -69.1 | -30.6 | 0 | 0 | 0 | 117.1 | ||||
| 352 | Y | 23.6 | Very low | 24 | Very low | 215 Ų | 215 | 154.9 Ų | 154.9 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | -164.2 | 123.1 | 99.5 | -126.1 | -93.8 | 0 | 0 | 0 | 112.4 | |||||
| 353 | D | 23.2 | Very low | 24.1 | Very low | 143 Ų | 143 | 154.6 Ų | 154.6 | 77% | 0.765 | 79% | 0.791 | S | S | * | * | trans | -75.7 | 140.8 | 164.5 | -72.1 | -57.7 | 0 | 0 | 0 | 110.9 | ||||
| 354 | L | 23 | Very low | 24.1 | Very low | 156 Ų | 156 | 148.2 Ų | 148.2 | 82% | 0.817 | 79% | 0.786 | S | S | * | * | trans | -175.2 | 111.3 | 130.2 | -122 | 82 | 0 | 0 | 0 | 113.2 | ||||
| 355 | N | 20.9 | Very low | 23.9 | Very low | 144 Ų | 144 | 144 Ų | 144 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | trans | 28 | 127.5 | 132 | -76.5 | -21.6 | 0 | 0 | 0 | 123.1 | ||||
| 356 | V | 21.5 | Very low | 23.8 | Very low | 130 Ų | 130 | 145.6 Ų | 145.6 | 79% | 0.788 | 78% | 0.782 | S | S | * | * | trans | 74.2 | 112.3 | 132.9 | 179.5 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 357 | S | 22.4 | Very low | 23.7 | Very low | 100 Ų | 100 | 146 Ų | 146 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | 176 | 119.8 | 106.6 | 67.1 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 358 | T | 21.5 | Very low | 23.6 | Very low | 114 Ų | 114 | 144 Ų | 144 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | trans | 16.7 | 142.4 | 136.1 | 55.4 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 359 | N | 23.3 | Very low | 23.4 | Very low | 140 Ų | 140 | 143.8 Ų | 143.8 | 75% | 0.749 | 78% | 0.778 | S | S | * | * | trans | 79.6 | 137.4 | 157.4 | -54.3 | -7.7 | 0 | 0 | 0 | 115.5 | ||||
| 360 | D | 24.2 | Very low | 23.4 | Very low | 123 Ų | 123 | 142 Ų | 142 | 66% | 0.658 | 78% | 0.776 | S | S | * | * | cis | -171 | 161.7 | 37.7 | -120.5 | -14 | 0 | 0 | 0 | 114.6 | ||||
| 361 | Y | 23.2 | Very low | 23.2 | Very low | 194 Ų | 194 | 142.9 Ų | 142.9 | 76% | 0.761 | 78% | 0.777 | S | S | * | * | trans | 46 | 111.7 | 155.5 | -68.8 | -71.6 | 0 | 0 | 0 | 125.6 | ||||
| 362 | S | 21.6 | Very low | 22.9 | Very low | 88 Ų | 88 | 140.8 Ų | 140.8 | 62% | 0.615 | 78% | 0.779 | S | S | * | * | trans | -9.3 | 145.3 | 135.7 | 60.8 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 363 | N | 25.1 | Very low | 22.8 | Very low | 172 Ų | 172 | 135.5 Ų | 135.5 | 92% | 0.92 | 78% | 0.78 | S | S | * | * | trans | -176.8 | 147.1 | 131.7 | -95.3 | -38.3 | 0 | 0 | 0 | 112.5 | ||||
| 364 | G | 24.4 | Very low | 22.5 | Very low | 80 Ų | 80 | 140.2 Ų | 140.2 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | trans | 131.2 | 117.4 | 163.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 365 | I | 21.1 | Very low | 22.5 | Very low | 161 Ų | 161 | 140.8 Ų | 140.8 | 83% | 0.826 | 79% | 0.791 | S | S | * | * | trans | -118.2 | 169.8 | -174.5 | -47.6 | 170.1 | 0 | 0 | 0 | 109.8 | ||||
| 366 | T | 22.8 | Very low | 22.5 | Very low | 118 Ų | 118 | 141.4 Ų | 141.4 | 72% | 0.724 | 79% | 0.793 | S | S | * | * | trans | 95.9 | 98.5 | 154.6 | 71.9 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 367 | E | 22.7 | Very low | 22.5 | Very low | 167 Ų | 167 | 143 Ų | 143 | 78% | 0.78 | 80% | 0.797 | S | S | * | * | 65.6 | 141.2 | 115.3 | -72.7 | -170.3 | -174.3 | 0 | 0 | 124.4 | |||||
| 368 | N | 25.1 | Very low | 22.4 | Very low | 138 Ų | 138 | 148.8 Ų | 148.8 | 74% | 0.738 | 80% | 0.803 | S | S | * | * | trans | 74.8 | 78.4 | 150.4 | -60.1 | -30.4 | 0 | 0 | 0 | 119.5 | ||||
| 369 | V | 24.8 | Very low | 22.5 | Very low | 145 Ų | 145 | 148.5 Ų | 148.5 | 88% | 0.879 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -97.1 | 138.4 | 148.3 | 178.3 | 0 | 0 | 0 | 0 | 108.8 | ||
| 370 | P | 23.6 | Very low | 22.5 | Very low | 120 Ų | 120 | 150.7 Ų | 150.7 | 78% | 0.779 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 147.1 | -158.2 | -8 | 27.8 | 0 | 0 | 0 | 115.2 | ||
| 371 | K | 21.7 | Very low | 22.5 | Very low | 209 Ų | 209 | 149.7 Ų | 149.7 | 91% | 0.909 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -82 | 126.7 | 158.8 | -68.2 | 177.6 | 176.2 | 179.6 | 0 | 109.7 | ||
| 372 | A | 21.2 | Very low | 22.4 | Very low | 100 Ų | 100 | 149.2 Ų | 149.2 | 83% | 0.826 | 82% | 0.816 | S | S | * | * | trans | 158.9 | 110.3 | 137.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 373 | A | 20.7 | Very low | 22.5 | Very low | 104 Ų | 104 | 153.3 Ų | 153.3 | 86% | 0.86 | 83% | 0.829 | S | S | * | * | trans | -150.1 | 46.8 | 159.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 374 | W | 18.7 | Very low | 22.4 | Very low | 241 Ų | 241 | 150.4 Ų | 150.4 | 91% | 0.913 | 82% | 0.823 | S | S | * | * | trans | -115 | 120.6 | 156.4 | -85 | 70.1 | 0 | 0 | 0 | 106.4 | ||||
| 375 | N | 21.2 | Very low | 22.4 | Very low | 168 Ų | 168 | 150.3 Ų | 150.3 | 90% | 0.898 | 82% | 0.821 | S | S | * | * | trans | -175.4 | 72.1 | 161.3 | -93.7 | -19.3 | 0 | 0 | 0 | 108 | ||||
| 376 | I | 21.6 | Very low | 22.5 | Very low | 158 Ų | 158 | 150 Ų | 150 | 81% | 0.81 | 82% | 0.821 | S | S | * | * | trans | -91.4 | 150.5 | 154.8 | -62 | 173.3 | 0 | 0 | 0 | 105.7 | ||||
| 377 | L | 21.6 | Very low | 22.6 | Very low | 164 Ų | 164 | 152.1 Ų | 152.1 | 86% | 0.859 | 83% | 0.828 | S | S | * | * | trans | 81.3 | 93.6 | -172.2 | -51.3 | 171.5 | 0 | 0 | 0 | 114.5 | ||||
| 378 | R | 20.4 | Very low | 22.8 | Very low | 221 Ų | 221 | 149.4 Ų | 149.4 | 83% | 0.834 | 83% | 0.825 | S | S | * | * | trans | -152.4 | 148 | 141.6 | -118.8 | -171.2 | -170.3 | -102.3 | -1.2 | 114.2 | ||||
| 379 | D | 23.3 | Very low | 22.6 | Very low | 107 Ų | 107 | 152 Ų | 152 | 57% | 0.572 | 83% | 0.83 | S | S | * | * | trans | 78 | 99.7 | 154.5 | -52 | -25.9 | 0 | 0 | 0 | 119.4 | ||||
| 380 | E | 24 | Very low | 22.6 | Very low | 187 Ų | 187 | 150.8 Ų | 150.8 | 87% | 0.874 | 82% | 0.819 | S | S | * | * | trans | 73.8 | 117.8 | 131.1 | -60.2 | -177.6 | -170.8 | 0 | 0 | 120.9 | ||||
| 381 | A | 24.2 | Very low | 22.5 | Very low | 101 Ų | 101 | 152 Ų | 152 | 84% | 0.835 | 81% | 0.814 | S | S | * | * | -167.5 | 121.4 | 95 | 0 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 382 | E | 21.7 | Very low | 22.6 | Very low | 185 Ų | 185 | 147.8 Ų | 147.8 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | trans | -73.8 | 155.2 | 160 | -58.1 | 173.2 | 150.3 | 0 | 0 | 109.8 | ||||
| 383 | I | 23.6 | Very low | 22.7 | Very low | 173 Ų | 173 | 150.6 Ų | 150.6 | 89% | 0.887 | 80% | 0.798 | S | S | * | * | trans | -171.6 | 136.8 | 135.8 | -96.1 | 149.4 | 0 | 0 | 0 | 110.3 | ||||
| 384 | S | 21.1 | Very low | 22.8 | Very low | 112 Ų | 112 | 150.6 Ų | 150.6 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | trans | -76.6 | 157.7 | -179 | 50.9 | 0 | 0 | 0 | 0 | 115 | ||||
| 385 | G | 24.5 | Very low | 23 | Very low | 77 Ų | 77 | 145.7 Ų | 145.7 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | trans | -163.4 | 100.1 | 170 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 386 | D | 24.5 | Very low | 23.4 | Very low | 155 Ų | 155 | 145.8 Ų | 145.8 | 83% | 0.829 | 78% | 0.777 | S | S | * | * | trans | -47.2 | 153.7 | -172.2 | -60.3 | -62.4 | 0 | 0 | 0 | 120.3 | ||||
| 387 | D | 25 | Very low | 23.6 | Very low | 162 Ų | 162 | 145.6 Ų | 145.6 | 87% | 0.866 | 78% | 0.777 | S | S | * | * | trans | -63.1 | 141.7 | 158.8 | -96.7 | -42.1 | 0 | 0 | 0 | 113.1 | ||||
| 388 | P | 25.6 | Very low | 24.3 | Very low | 111 Ų | 111 | 142.8 Ų | 142.8 | 72% | 0.721 | 77% | 0.768 | S | S | * | * | trans | -136.7 | 104.9 | 149.7 | 33 | -15.7 | 0 | 0 | 0 | 114.1 | ||||
| 389 | F | 21.3 | Very low | 24.8 | Very low | 193 Ų | 193 | 141.3 Ų | 141.3 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | trans | 41.6 | 109.4 | 136.1 | -81.8 | -97.1 | 0 | 0 | 0 | 120.5 | ||||
| 390 | N | 24.7 | Very low | 24.7 | Very low | 119 Ų | 119 | 143.7 Ų | 143.7 | 64% | 0.636 | 78% | 0.784 | S | S | * | * | 94.7 | 151 | 107.4 | -161 | 30 | 0 | 0 | 0 | 120.6 | |||||
| 391 | Q | 22.1 | Very low | 24.9 | Very low | 145 Ų | 145 | 143.3 Ų | 143.3 | 68% | 0.678 | 78% | 0.782 | S | S | * | * | trans | 76.7 | 104 | 155.8 | -90.6 | 157.1 | 11 | 0 | 0 | 120.8 | ||||
| 392 | N | 23.5 | Very low | 25 | Very low | 120 Ų | 120 | 144.9 Ų | 144.9 | 64% | 0.642 | 78% | 0.781 | S | S | * | * | 93.7 | 101.8 | 118.6 | -79.3 | 32.8 | 0 | 0 | 0 | 121.3 | |||||
| 393 | E | 23.2 | Very low | 25 | Very low | 160 Ų | 160 | 140 Ų | 140 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | 87.5 | 157.8 | 101.6 | -154.9 | 178.5 | -138.9 | 0 | 0 | 118.3 | |||||
| 394 | V | 22.3 | Very low | 25.1 | Very low | 103 Ų | 103 | 139.3 Ų | 139.3 | 62% | 0.624 | 78% | 0.779 | S | S | * | * | trans | 91.1 | 103.8 | 159.1 | -168.1 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 395 | N | 23.4 | Very low | 25.2 | Very low | 138 Ų | 138 | 137.7 Ų | 137.7 | 74% | 0.738 | 77% | 0.767 | S | S | * | * | trans | 69.9 | 123.5 | 145.4 | -60.5 | -12.4 | 0 | 0 | 0 | 121.6 | ||||
| 396 | I | 30.6 | Very low | 25.2 | Very low | 171 Ų | 171 | 143.1 Ų | 143.1 | 88% | 0.877 | 77% | 0.769 | S | S | * | * | -157 | 143 | 103.1 | -91.3 | 148.1 | 0 | 0 | 0 | 109.5 | |||||
| 397 | L | 25.2 | Very low | 25.1 | Very low | 153 Ų | 153 | 144.8 Ų | 144.8 | 80% | 0.801 | 77% | 0.765 | S | S | * | * | trans | -105.3 | -179.2 | 176.1 | -73 | 161.6 | 0 | 0 | 0 | 109 | ||||
| 398 | P | 36.6 | Very low | 25.1 | Very low | 106 Ų | 106 | 144.1 Ų | 144.1 | 69% | 0.688 | 76% | 0.757 | S | S | * | * | cis | -125.5 | -177.6 | -35.4 | 35.8 | -19.6 | 0 | 0 | 0 | 111.4 | ||||
| 399 | E | 30.1 | Very low | 25 | Very low | 190 Ų | 190 | 146.4 Ų | 146.4 | 89% | 0.888 | 76% | 0.758 | S | S | * | * | -174.1 | 151.7 | 120.7 | -103.5 | 168.7 | -166 | 0 | 0 | 112.2 | |||||
| 400 | N | 22.5 | Very low | 25.1 | Very low | 157 Ų | 157 | 141.1 Ų | 141.1 | 84% | 0.84 | 75% | 0.745 | S | S | * | * | trans | -92.1 | 143.3 | 179.3 | -63.8 | -59.9 | 0 | 0 | 0 | 109.8 | ||||
| 401 | E | 27.9 | Very low | 25.1 | Very low | 179 Ų | 179 | 142.4 Ų | 142.4 | 84% | 0.836 | 75% | 0.752 | S | S | * | * | -172.4 | 148.3 | 116.6 | -104.3 | 171.8 | -162.9 | 0 | 0 | 113.4 | |||||
| 402 | T | 24.7 | Very low | 25.1 | Very low | 133 Ų | 133 | 144.3 Ų | 144.3 | 82% | 0.816 | 76% | 0.758 | S | S | * | * | trans | 41 | 81.7 | 155.1 | 50.3 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 403 | G | 23.2 | Very low | 25.1 | Very low | 82 Ų | 82 | 147.6 Ų | 147.6 | 85% | 0.845 | 77% | 0.767 | S | S | * | * | trans | -80.6 | 142.3 | 154.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 404 | N | 24.4 | Very low | 25.1 | Very low | 160 Ų | 160 | 145.5 Ų | 145.5 | 86% | 0.856 | 77% | 0.765 | S | S | * | * | trans | -142.3 | 106.2 | 169 | -157.9 | 15.1 | 0 | 0 | 0 | 110.2 | ||||
| 405 | S | 24.5 | Very low | 25.2 | Very low | 78 Ų | 78 | 146.3 Ų | 146.3 | 55% | 0.545 | 77% | 0.77 | S | S | . | * | trans | 46.4 | 136.6 | 156.9 | -123.3 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 406 | F | 24.1 | Very low | 25.4 | Very low | 191 Ų | 191 | 146.9 Ų | 146.9 | 84% | 0.838 | 77% | 0.773 | S | S | * | * | cis | -150.3 | 164.4 | 39 | -112.7 | -81.1 | 0 | 0 | 0 | 115 | ||||
| 407 | Y | 21.3 | Very low | 25.1 | Very low | 189 Ų | 189 | 145.3 Ų | 145.3 | 74% | 0.741 | 77% | 0.766 | S | S | * | * | trans | -55 | 156.4 | 175.6 | -72.1 | -105.3 | 0 | 0 | 0 | 114.2 | ||||
| 408 | H | 24.9 | Very low | 25 | Very low | 149 Ų | 149 | 147 Ų | 147 | 69% | 0.69 | 77% | 0.767 | S | S | * | * | 50.8 | 139.3 | 64.9 | -88.7 | -103.1 | 0 | 0 | 0 | 112.4 | |||||
| 409 | E | 24 | Very low | 24.3 | Very low | 158 Ų | 158 | 150 Ų | 150 | 74% | 0.738 | 77% | 0.772 | S | S | * | * | cis | -161.7 | 155.7 | -8.3 | -146.5 | 171 | 179.4 | 0 | 0 | 109.8 | ||||
| 410 | S | 23.6 | Very low | 24 | Very low | 83 Ų | 83 | 147.9 Ų | 147.9 | 58% | 0.58 | 76% | 0.761 | S | S | * | * | trans | -45.3 | 163.5 | 174 | 58.9 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 411 | N | 24.2 | Very low | 23.8 | Very low | 146 Ų | 146 | 146.1 Ų | 146.1 | 78% | 0.781 | 76% | 0.757 | S | S | * | * | 116.4 | 143.9 | 129.1 | -82.9 | -43.1 | 0 | 0 | 0 | 122 | |||||
| 412 | K | 23.4 | Very low | 23.5 | Very low | 185 Ų | 185 | 148.1 Ų | 148.1 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | trans | 83.3 | 145.5 | 171.3 | -53.6 | 179.4 | -177.6 | 172.3 | 0 | 115.4 | ||||
| 413 | F | 22.1 | Very low | 23.5 | Very low | 188 Ų | 188 | 147.9 Ų | 147.9 | 83% | 0.825 | 76% | 0.756 | S | S | * | * | cis | -166.2 | 157.9 | -3.2 | -124.2 | -148.8 | 0 | 0 | 0 | 106.3 | ||||
| 414 | V | 24.6 | Very low | 23.5 | Very low | 116 Ų | 116 | 151.1 Ų | 151.1 | 70% | 0.703 | 75% | 0.754 | S | S | * | * | cis | -159.6 | 170.2 | -10.3 | 88.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 415 | V | 24.4 | Very low | 23.3 | Very low | 121 Ų | 121 | 149.6 Ų | 149.6 | 73% | 0.733 | 75% | 0.751 | S | S | * | * | trans | -92.8 | 139 | 176.6 | 175.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 416 | D | 26.9 | Very low | 23.2 | Very low | 150 Ų | 150 | 154 Ų | 154 | 80% | 0.802 | 77% | 0.767 | S | S | * | * | trans | -123.8 | 131.1 | 164.1 | -155.2 | 0.5 | 0 | 0 | 0 | 110.9 | ||||
| 417 | N | 24.4 | Very low | 23 | Very low | 137 Ų | 137 | 150.7 Ų | 150.7 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | trans | -107.1 | 120.7 | -171 | -93.4 | -25.9 | 0 | 0 | 0 | 110.4 | ||||
| 418 | K | 23.4 | Very low | 23 | Very low | 190 Ų | 190 | 146.3 Ų | 146.3 | 83% | 0.826 | 77% | 0.765 | S | S | * | * | trans | -147.2 | 107.5 | 155.2 | -67.2 | -166.5 | -178.6 | 170.8 | 0 | 113.2 | ||||
| 419 | E | 21.4 | Very low | 22.9 | Very low | 169 Ų | 169 | 148.2 Ų | 148.2 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | 20.1 | 141.5 | 113.8 | -66.4 | -177.4 | 177.3 | 0 | 0 | 117.6 | |||||
| 420 | H | 23 | Very low | 22.8 | Very low | 144 Ų | 144 | 146.7 Ų | 146.7 | 67% | 0.667 | 78% | 0.776 | S | S | * | * | cis | -173.8 | 149.6 | 30.9 | -140.5 | 64.4 | 0 | 0 | 0 | 113.7 | ||||
| 421 | T | 20.1 | Very low | 22.6 | Very low | 121 Ų | 121 | 153.2 Ų | 153.2 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | trans | 70 | 150.7 | 143.2 | 44.6 | 0 | 0 | 0 | 0 | 126.7 | ||||
| 422 | Y | 21.8 | Very low | 22.6 | Very low | 221 Ų | 221 | 156.8 Ų | 156.8 | 87% | 0.867 | 79% | 0.794 | S | S | * | * | trans | -84.5 | 165.5 | -175.2 | -75.6 | -108.3 | 0 | 0 | 0 | 116.3 | ||||
| 423 | T | 23.2 | Very low | 22.7 | Very low | 127 Ų | 127 | 153.2 Ų | 153.2 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | trans | 154.2 | 151.4 | 140.1 | 37.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 424 | D | 23.2 | Very low | 22.8 | Very low | 150 Ų | 150 | 152.6 Ų | 152.6 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | cis | -156.2 | 161.8 | -17.4 | -119.1 | -23 | 0 | 0 | 0 | 109.1 | ||||
| 425 | T | 21.4 | Very low | 22.8 | Very low | 129 Ų | 129 | 151 Ų | 151 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | trans | -79.3 | 141.1 | -176.6 | 52.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 426 | I | 21.8 | Very low | 22.8 | Very low | 171 Ų | 171 | 156.5 Ų | 156.5 | 88% | 0.877 | 81% | 0.809 | S | S | * | * | trans | -135.4 | 152.3 | 156.1 | -63.9 | -172.7 | 0 | 0 | 0 | 111.4 | ||||
| 427 | T | 20.6 | Very low | 22.8 | Very low | 121 Ų | 121 | 160 Ų | 160 | 74% | 0.742 | 81% | 0.812 | S | S | * | * | trans | -97.6 | 142.5 | -155.4 | 49.6 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 428 | A | 20.6 | Very low | 23 | Very low | 97 Ų | 97 | 160.4 Ų | 160.4 | 80% | 0.802 | 81% | 0.814 | S | S | * | * | trans | 26 | 126.5 | 140.3 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 429 | Q | 22.1 | Very low | 23.2 | Very low | 188 Ų | 188 | 154.6 Ų | 154.6 | 88% | 0.879 | 81% | 0.808 | S | S | * | * | trans | -135.6 | 115.2 | 155.6 | -73.2 | -164.2 | -8.5 | 0 | 0 | 114.3 | ||||
| 430 | T | 21.8 | Very low | 23.8 | Very low | 127 Ų | 127 | 153.7 Ų | 153.7 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | trans | 15.5 | 132.4 | 145.5 | 36.4 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 431 | Y | 21 | Very low | 24 | Very low | 220 Ų | 220 | 156.2 Ų | 156.2 | 86% | 0.863 | 82% | 0.821 | S | S | * | * | trans | -51.9 | 155.1 | 159.5 | -75.3 | -112.2 | 0 | 0 | 0 | 116.1 | ||||
| 432 | Y | 24 | Very low | 24.4 | Very low | 221 Ų | 221 | 159.2 Ų | 159.2 | 87% | 0.867 | 83% | 0.826 | S | S | * | * | trans | -130.3 | 147.5 | 141.1 | -86.6 | -86.4 | 0 | 0 | 0 | 110.3 | ||||
| 433 | P | 24.8 | Very low | 24.7 | Very low | 110 Ų | 110 | 159.4 Ų | 159.4 | 71% | 0.714 | 83% | 0.826 | S | S | * | * | trans | -105 | 138 | -167.1 | 19.2 | 0.2 | 0 | 0 | 0 | 115 | ||||
| 434 | L | 24.1 | Very low | 25 | Very low | 175 Ų | 175 | 162.4 Ų | 162.4 | 92% | 0.916 | 83% | 0.831 | S | S | * | * | trans | 15.4 | 108.8 | 145.8 | -66 | 161.3 | 0 | 0 | 0 | 117.7 | ||||
| 435 | G | 26 | Very low | 25.3 | Very low | 83 Ų | 83 | 164.2 Ų | 164.2 | 86% | 0.856 | 84% | 0.835 | S | S | * | * | trans | -66.2 | 144.6 | 163.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 436 | R | 24.2 | Very low | 25.8 | Very low | 236 Ų | 236 | 165 Ų | 165 | 89% | 0.891 | 83% | 0.832 | S | S | * | * | trans | -95.7 | 133.2 | -173 | -156.2 | -177.3 | -157.8 | -178.4 | 5.3 | 110.2 | D438 | R436-D438 PolarHBondContact O-N 3Š| ||
| 437 | Y | 25.9 | Very low | 26 | Very low | 224 Ų | 224 | 165.4 Ų | 165.4 | 88% | 0.878 | 83% | 0.83 | S | S | * | * | trans | -75.4 | 112.4 | 179 | -173.5 | -97.9 | 0 | 0 | 0 | 110.9 | ||||
| 438 | D | 29.7 | Very low | 26.2 | Very low | 144 Ų | 144 | 167.8 Ų | 167.8 | 77% | 0.77 | 83% | 0.833 | S | S | * | * | trans | -108.6 | 104.3 | 171.4 | 47.6 | -13.4 | 0 | 0 | 0 | 110.1 | R436 D440 | R436-D438 PolarHBondContact O-N 3Å; D438-D440 PolarHBondContact O-N 3.15Å | ||
| 439 | G | 27.1 | Very low | 26.6 | Very low | 68 Ų | 68 | 168.8 Ų | 168.8 | 70% | 0.701 | 83% | 0.831 | S | S | * | * | trans | -70.9 | 98.5 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 440 | D | 32.8 | Very low | 26.7 | Very low | 150 Ų | 150 | 168.2 Ų | 168.2 | 80% | 0.802 | 83% | 0.833 | S | S | * | * | trans | -113.3 | 117.5 | 172.2 | -143.4 | -3 | 0 | 0 | 0 | 108.8 | D438 E442 | D438-D440 PolarHBondContact O-N 3.15Å; D440-E442 VanDerWaalsContact C-N 3.33Å; D440-E442 PolarHBondContact O-N 3.39Å | ||
| 441 | E | 27.3 | Very low | 27 | Very low | 198 Ų | 198 | 169.6 Ų | 169.6 | 93% | 0.925 | 83% | 0.834 | S | S | * | * | trans | -83.8 | 4 | -166 | -74.5 | -173.5 | 140.1 | 0 | 0 | 114.8 | ||||
| 442 | E | 28.6 | Very low | 27.2 | Very low | 183 Ų | 183 | 165.2 Ų | 165.2 | 86% | 0.855 | 83% | 0.83 | S | S | * | * | trans | -108.2 | 77.8 | -176 | -67.2 | -167.4 | 171.5 | 0 | 0 | 113.8 | D440 | D440-E442 VanDerWaalsContact C-N 3.33Å; D440-E442 PolarHBondContact O-N 3.39Å | ||
| 443 | R | 29.5 | Very low | 27.2 | Very low | 226 Ų | 226 | 159.4 Ų | 159.4 | 85% | 0.853 | 82% | 0.819 | S | S | * | * | trans | -126.7 | 103.1 | 159.3 | -83.1 | -171.5 | 177 | -115.2 | 0.3 | 112 | ||||
| 444 | Q | 29.2 | Very low | 27.2 | Very low | 189 Ų | 189 | 160.1 Ų | 160.1 | 88% | 0.883 | 82% | 0.822 | S | S | * | * | trans | -77.6 | 142.7 | 168.6 | -68.9 | 178.3 | -34.9 | 0 | 0 | 111.4 | ||||
| 445 | E | 30 | Very low | 27.3 | Very low | 189 Ų | 189 | 157.6 Ų | 157.6 | 88% | 0.883 | 81% | 0.813 | S | S | * | * | trans | 12.6 | 117.4 | 165.2 | -62.8 | -179.9 | 150.1 | 0 | 0 | 119.3 | ||||
| 446 | I | 30.6 | Very low | 27.2 | Very low | 144 Ų | 144 | 161 Ų | 161 | 74% | 0.738 | 81% | 0.81 | S | S | * | * | trans | -105.4 | 120.6 | 163.4 | -60.8 | 175.5 | 0 | 0 | 0 | 107.8 | ||||
| 447 | H | 26.1 | Very low | 27.2 | Very low | 181 Ų | 181 | 157.7 Ų | 157.7 | 84% | 0.838 | 81% | 0.805 | S | S | * | * | trans | -101.8 | 111.5 | -175.7 | -148.5 | -59 | 0 | 0 | 0 | 109.6 | ||||
| 448 | E | 25.4 | Very low | 27.3 | Very low | 170 Ų | 170 | 152.8 Ų | 152.8 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 146.6 | -179 | -68.3 | -170.3 | 150.6 | 0 | 0 | 112.6 | ||
| 449 | P | 27.6 | Very low | 27.2 | Very low | 118 Ų | 118 | 154.2 Ų | 154.2 | 77% | 0.766 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 150.8 | -168.9 | 34.4 | -36.1 | 0 | 0 | 0 | 115.4 | ||
| 450 | L | 24.2 | Very low | 27.1 | Very low | 176 Ų | 176 | 155.9 Ų | 155.9 | 92% | 0.921 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 143 | 178.8 | -73.2 | 138.8 | 0 | 0 | 0 | 113.6 | ||
| 451 | I | 28 | Very low | 26.9 | Very low | 157 Ų | 157 | 156 Ų | 156 | 81% | 0.805 | 81% | 0.808 | S | S | * | * | trans | -112.1 | 135 | 178.7 | -62.5 | 175.3 | 0 | 0 | 0 | 110 | ||||
| 452 | V | 26 | Very low | 27.1 | Very low | 127 Ų | 127 | 154.2 Ų | 154.2 | 77% | 0.77 | 81% | 0.805 | S | S | * | * | trans | -113.4 | 115 | -176.6 | 178.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 453 | P | 24.9 | Very low | 27 | Very low | 99 Ų | 99 | 152.3 Ų | 152.3 | 64% | 0.643 | 80% | 0.801 | S | S | * | * | trans | -81.9 | 148.1 | 173.3 | -9.7 | 27.5 | 0 | 0 | 0 | 112.3 | ||||
| 454 | V | 23.8 | Very low | 26.9 | Very low | 126 Ų | 126 | 148.3 Ų | 148.3 | 76% | 0.764 | 80% | 0.796 | S | S | * | * | trans | -118.3 | 130.7 | 177.2 | 173.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 455 | T | 25.5 | Very low | 26.7 | Very low | 121 Ų | 121 | 146.3 Ų | 146.3 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | trans | -85.2 | 139.9 | -178.5 | -37 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 456 | I | 24 | Very low | 26.4 | Very low | 155 Ų | 155 | 146 Ų | 146 | 80% | 0.795 | 79% | 0.791 | S | S | * | * | trans | -132.8 | 137 | 171.7 | -62.5 | 175.1 | 0 | 0 | 0 | 108.3 | ||||
| 457 | H | 24.9 | Very low | 26.1 | Very low | 167 Ų | 167 | 144.7 Ų | 144.7 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | -90.2 | 151 | -173.6 | -74.3 | -80.2 | 0 | 0 | 0 | 113.8 | ||||
| 458 | P | 28.5 | Very low | 25.9 | Very low | 120 Ų | 120 | 143 Ų | 143 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | trans | -80.8 | 157.5 | 176.9 | -3.8 | 23.3 | 0 | 0 | 0 | 112.6 | ||||
| 459 | L | 26.8 | Very low | 25.9 | Very low | 174 Ų | 174 | 142.2 Ų | 142.2 | 91% | 0.911 | 79% | 0.785 | S | S | * | * | trans | -110.3 | 158 | 169.5 | -87.4 | 163.1 | 0 | 0 | 0 | 110.7 | ||||
| 460 | S | 25.9 | Very low | 25.8 | Very low | 103 Ų | 103 | 139.4 Ų | 139.4 | 72% | 0.72 | 78% | 0.777 | S | S | * | * | trans | -77.4 | 159.6 | -163.9 | 51.1 | 0 | 0 | 0 | 0 | 116 | ||||
| 461 | D | 27.7 | Very low | 26 | Very low | 153 Ų | 153 | 138 Ų | 138 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | -65.9 | 147.2 | 170.3 | -43.3 | -81.3 | 0 | 0 | 0 | 112.7 | ||||
| 462 | D | 30.9 | Very low | 25.9 | Very low | 161 Ų | 161 | 137.6 Ų | 137.6 | 86% | 0.861 | 77% | 0.77 | S | S | * | * | trans | -150.4 | 141.8 | 159.3 | -98.6 | -41.4 | 0 | 0 | 0 | 106.7 | ||||
| 463 | D | 28 | Very low | 25.9 | Very low | 143 Ų | 143 | 135.2 Ų | 135.2 | 77% | 0.765 | 77% | 0.771 | S | S | * | * | trans | -83.3 | 167.8 | -160.5 | -61.6 | -67.5 | 0 | 0 | 0 | 117 | ||||
| 464 | D | 26.7 | Very low | 25.8 | Very low | 141 Ų | 141 | 138.3 Ų | 138.3 | 75% | 0.754 | 78% | 0.777 | S | S | * | * | trans | 71.1 | 121.7 | 152.1 | -63.9 | -22.8 | 0 | 0 | 0 | 122.3 | ||||
| 465 | D | 25.3 | Very low | 25.8 | Very low | 148 Ų | 148 | 142.1 Ų | 142.1 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | trans | 40.1 | 109.2 | 136.2 | -68.3 | -24.5 | 0 | 0 | 0 | 121.2 | ||||
| 466 | E | 22.9 | Very low | 25.7 | Very low | 183 Ų | 183 | 145.4 Ų | 145.4 | 86% | 0.855 | 78% | 0.783 | S | S | * | * | 175.8 | 114.1 | 113.4 | -95.4 | -172.9 | 171.3 | 0 | 0 | 110.1 | |||||
| 467 | V | 24.2 | Very low | 25.9 | Very low | 115 Ų | 115 | 143.5 Ų | 143.5 | 70% | 0.697 | 78% | 0.783 | S | S | * | * | 72.5 | 102.6 | 90.1 | 172.7 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 468 | L | 23.5 | Very low | 25.8 | Very low | 146 Ų | 146 | 143.2 Ų | 143.2 | 76% | 0.764 | 79% | 0.785 | S | S | * | * | trans | 82.1 | 124.6 | 142.5 | -68.7 | 172.9 | 0 | 0 | 0 | 123.1 | ||||
| 469 | I | 24.4 | Very low | 25.5 | Very low | 154 Ų | 154 | 144.6 Ų | 144.6 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | trans | 77.8 | 100.5 | 138 | -58.7 | 161.2 | 0 | 0 | 0 | 118.1 | ||||
| 470 | G | 25.1 | Very low | 25.5 | Very low | 59 Ų | 59 | 145.2 Ų | 145.2 | 61% | 0.608 | 78% | 0.784 | S | S | * | * | 102.8 | 115.5 | 108.8 | 0 | 0 | 0 | 0 | 0 | 118 | |||||
| 471 | N | 28.6 | Very low | 25.3 | Very low | 145 Ų | 145 | 145.7 Ų | 145.7 | 78% | 0.775 | 78% | 0.782 | S | S | * | * | -174 | 135.9 | 108.9 | -95.9 | -44 | 0 | 0 | 0 | 113 | |||||
| 472 | N | 25.6 | Very low | 25.3 | Very low | 150 Ų | 150 | 148.1 Ų | 148.1 | 80% | 0.802 | 79% | 0.786 | S | S | * | * | trans | 37.4 | 125.4 | 133.3 | -45.8 | -26 | 0 | 0 | 0 | 119.7 | ||||
| 473 | G | 26.9 | Very low | 25.2 | Very low | 76 Ų | 76 | 145 Ų | 145 | 78% | 0.784 | 78% | 0.776 | S | S | * | * | trans | 168.6 | 58.5 | 161.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y475 | G473-Y475 PolarHBondContact O-N 2.89Š| ||
| 474 | E | 22.3 | Very low | 25.8 | Very low | 164 Ų | 164 | 145 Ų | 145 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | trans | -40.9 | 136 | 163.4 | -51.8 | 172.9 | 134.5 | 0 | 0 | 112.2 | ||||
| 475 | Y | 24.4 | Very low | 26.7 | Very low | 207 Ų | 207 | 144.1 Ų | 144.1 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | -164.9 | 151.6 | 88.3 | -111.7 | -91.8 | 0 | 0 | 0 | 112.6 | G473 | G473-Y475 PolarHBondContact O-N 2.89Š| |||
| 476 | K | 23.1 | Very low | 28.2 | Very low | 190 Ų | 190 | 139.7 Ų | 139.7 | 83% | 0.826 | 75% | 0.748 | S | S | * | * | trans | -90.8 | 147.7 | -169.9 | -62.9 | 163.5 | 174 | 172.6 | 0 | 112.7 | ||||
| 477 | S | 27.8 | Very low | 30.4 | Very low | 114 Ų | 114 | 135.2 Ų | 135.2 | 80% | 0.797 | 73% | 0.733 | S | S | * | * | trans | -126.2 | 93.1 | 140.6 | 54.5 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 478 | M | 22.4 | Very low | 32.7 | Very low | 162 Ų | 162 | 135.5 Ų | 135.5 | 80% | 0.798 | 73% | 0.725 | S | S | * | * | 57.1 | 92.2 | 92.2 | -68.6 | -175.3 | 167.4 | 0 | 0 | 110.8 | |||||
| 479 | N | 23.5 | Very low | 35.4 | Very low | 149 Ų | 149 | 129.4 Ų | 129.4 | 80% | 0.797 | 69% | 0.694 | S | S | * | * | 74 | 108.7 | 77.2 | -85.2 | 22.1 | 0 | 0 | 0 | 113.8 | |||||
| 480 | E | 25.8 | Very low | 38.1 | Very low | 187 Ų | 187 | 126.1 Ų | 126.1 | 87% | 0.874 | 68% | 0.678 | S | S | * | * | trans | -169.3 | 91.2 | 141.2 | -105.4 | 166 | -150.9 | 0 | 0 | 106.2 | ||||
| 481 | T | 23.3 | Very low | 40.6 | Very low | 112 Ų | 112 | 124.1 Ų | 124.1 | 69% | 0.687 | 66% | 0.656 | S | S | * | * | 55 | 89.2 | 85.6 | 62.3 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 482 | F | 25.7 | Very low | 42.8 | Very low | 205 Ų | 205 | 123.7 Ų | 123.7 | 90% | 0.899 | 66% | 0.658 | S | S | * | * | trans | -173.3 | 82.3 | 132.2 | -99.2 | -68.7 | 0 | 0 | 0 | 108.9 | ||||
| 483 | S | 30.2 | Very low | 45.3 | Very low | 95 Ų | 95 | 120.8 Ų | 120.8 | 66% | 0.664 | 65% | 0.649 | S | S | * | * | trans | -89.4 | 106.2 | 173.7 | -147.4 | 0 | 0 | 0 | 0 | 109.3 | D485 | S483-D485 VanDerWaalsContact CB-OD1 3.29Å; S483-D485 WeakPolarHBondContact CB-OD1 3.21Å; S483-D485 PolarHBondContact O-N 2.85Å; S483-D485 PolarHBondContact OG-OD1 3.35Å | ||
| 484 | N | 40.4 | Very low | 48 | Very low | 143 Ų | 143 | 120.3 Ų | 120.3 | 77% | 0.765 | 63% | 0.627 | S | S | * | * | trans | -77.6 | 72.9 | 167.4 | -87.8 | -10.7 | 0 | 0 | 0 | 108.7 | L486 | N484-L486 VanDerWaalsContact C-N 3.34Å; N484-L486 PolarHBondContact O-N 2.9Å | ||
| 485 | D | 45.4 | Very low | 51 | Low | 122 Ų | 122 | 113.2 Ų | 113.2 | 65% | 0.652 | 60% | 0.595 | S | S | * | * | trans | -69.6 | 89.8 | 177.6 | -68.8 | -6.3 | 0 | 0 | 0 | 109.6 | S483 V487 | S483-D485 VanDerWaalsContact CB-OD1 3.29Å; S483-D485 WeakPolarHBondContact CB-OD1 3.21Å; S483-D485 PolarHBondContact O-N 2.85Å; S483-D485 PolarHBondContact OG-OD1 3.35Å; D485-V487 VanDerWaalsContact C-N 3.32Å; D485-V487 PolarHBondContact O-N 2.91Å | ||
| 486 | L | 57 | Low | 53.6 | Low | 56 Ų | 56 | 110 Ų | 110 | 29% | 0.293 | 59% | 0.592 | S | S | . | * | trans | -63 | 96.9 | 161.8 | -89.4 | 104.7 | 0 | 0 | 0 | 108.2 | N484 K488 Y503 | N484-L486 VanDerWaalsContact C-N 3.34Å; N484-L486 PolarHBondContact O-N 2.9Å; L486-K488 PolarHBondContact O-N 3.13Å; L486-Y503 HydrophobicContact CB-CD1 4.22Å; L486-Y503 HydrophobicContact CD2-CD1 4.22Å; L486-Y503 HydrophobicContact CD2-CG 4.41Å | ||
| 487 | V | 69.5 | Low | 56.2 | Low | 88 Ų | 88 | 101.9 Ų | 101.9 | 53% | 0.533 | 56% | 0.56 | S | S | . | * | trans | -65.4 | 109.6 | 178.9 | -177.2 | 0 | 0 | 0 | 0 | 109.1 | D485 C489 R504 | D485-V487 VanDerWaalsContact C-N 3.32Å; D485-V487 PolarHBondContact O-N 2.91Å; V487-C489 PolarHBondContact O-N 3.46Å; V487-R504 PolarHBondContact O-N 2.96Å | ||
| 488 | K | 73 | Confident | 58.5 | Low | 122 Ų | 122 | 104.2 Ų | 104.2 | 53% | 0.53 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -63.8 | 123.7 | 172.2 | -154.8 | 169.4 | -168.5 | 167.1 | 0 | 108.4 | L486 E501 C502 Y503 | L486-K488 PolarHBondContact O-N 3.13Å; K488-E501 IonicContact NZ-OE1 4Å; K488-E501 PolarHBondContact NZ-OE1 3.08Å; K488-C502 CarbonylContact C-O 3.53Å; K488-C502 WeakPolarHBondContact CA-O 3.45Å; K488-C502 VanDerWaalsContact CG-O 3.31Å; K488-C502 WeakPolarHBondContact CG-O 3.18Å; K488-Y503 HydrophobicContact CD-CE1 4.43Å; K488-Y503 HydrophobicContact CG-CD1 4.42Å; K488-Y503 HydrophobicContact CG-CE1 4.15Å |
| 489 | C | 80.1 | Confident | 61.4 | Low | 18 Ų | 18 | 100.5 Ų | 100.5 | 12% | 0.122 | 54% | 0.541 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 169.8 | 173.1 | 37 | 0 | 0 | 0 | 0 | 110.8 | V487 A491 E494 C502 Y503 R504 | V487-C489 PolarHBondContact O-N 3.46Å; C489-A491 PolarHBondContact O-N 3.14Å; C489-E494 WeakPolarHBondContact CB-OE1 3.34Å; C489-C502 HydrophobicContact CB-CB 3.96Å; C489-C502 WeakPolarHBondContact CB-SG 3.28Å; C489-C502 PolarHBondContact N-O 3.15Å; C489-C502 WeakPolarHBondContact O-CB 3.46Å; C489-C502 WeakPolarHBondContact SG-CB 3.28Å; C489-C502 CovalentContact SG-SG 2.04Å; C489-C502 PolarHBondContact SG-SG 2.85Å; C489-Y503 PolarHBondContact SG-N 3.34Å; C489-R504 HydrophobicContact CB-CG 4.02Å |
| 490 | D | 80.6 | Confident | 64.4 | Low | 84 Ų | 84 | 94.4 Ų | 94.4 | 45% | 0.449 | 51% | 0.509 | S | S | . | . | trans | -78.2 | 109.5 | 173.7 | 172.6 | 27.4 | 0 | 0 | 0 | 110 | V492 S493 E494 | D490-V492 PolarHBondContact O-N 3.07Å; D490-V492 WeakPolarHBondContact OD1-CB 3.29Å; D490-V492 PolarHBondContact OD1-N 2.88Å; D490-S493 WeakPolarHBondContact CB-OG 3.31Å; D490-S493 VanDerWaalsContact CG-OG 3.27Å; D490-S493 PolarHBondContact O-N 3.49Å; D490-S493 VanDerWaalsContact OD2-CB 3.29Å; D490-S493 WeakPolarHBondContact OD2-CB 2.99Å; D490-S493 PolarHBondContact OD2-N 2.79Å; D490-S493 PolarHBondContact OD2-OG 2.94Å; D490-E494 PolarHBondContact O-N 2.88Å; D490-E494 VanDerWaalsContact O-N 3.07Å | ||
| 491 | A | 76.4 | Confident | 67.3 | Low | 18 Ų | 18 | 87.5 Ų | 87.5 | 15% | 0.149 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -65.4 | -25.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | C489 S493 C495 C502 | C489-A491 PolarHBondContact O-N 3.14Å; A491-S493 VanDerWaalsContact C-N 3.33Å; A491-S493 PolarHBondContact O-N 3.04Å; A491-C495 HydrophobicContact CB-CB 4.49Å; A491-C495 VanDerWaalsContact O-CB 3.24Å; A491-C495 WeakPolarHBondContact O-CB 3.39Å; A491-C495 PolarHBondContact O-N 3.25Å; A491-C495 VanDerWaalsContact O-N 3.09Å; A491-C502 HydrophobicContact CB-CB 3.81Å |
| 492 | V | 75.5 | Confident | 70.2 | Confident | 135 Ų | 135 | 82.2 Ų | 82.2 | 82% | 0.818 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -72.6 | -28.6 | -178 | -174.1 | 0 | 0 | 0 | 0 | 111.7 | D490 | D490-V492 PolarHBondContact O-N 3.07Å; D490-V492 WeakPolarHBondContact OD1-CB 3.29Å; D490-V492 PolarHBondContact OD1-N 2.88Å |
| 493 | S | 79.1 | Confident | 73 | Confident | 89 Ų | 89 | 74.6 Ų | 74.6 | 62% | 0.622 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -102.4 | -23.8 | 179.4 | 55.5 | 0 | 0 | 0 | 0 | 115 | D490 A491 | D490-S493 WeakPolarHBondContact CB-OG 3.31Å; D490-S493 VanDerWaalsContact CG-OG 3.27Å; D490-S493 PolarHBondContact O-N 3.49Å; D490-S493 VanDerWaalsContact OD2-CB 3.29Å; D490-S493 WeakPolarHBondContact OD2-CB 2.99Å; D490-S493 PolarHBondContact OD2-N 2.79Å; D490-S493 PolarHBondContact OD2-OG 2.94Å; A491-S493 VanDerWaalsContact C-N 3.33Å; A491-S493 PolarHBondContact O-N 3.04Å |
| 494 | E | 82.7 | Confident | 75.3 | Confident | 67 Ų | 67 | 74.6 Ų | 74.6 | 31% | 0.313 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -108.7 | -11.2 | -178.3 | -61 | -163.5 | -119.2 | 0 | 0 | 115.3 | C489 D490 R504 A509 | C489-E494 WeakPolarHBondContact CB-OE1 3.34Å; D490-E494 PolarHBondContact O-N 2.88Å; D490-E494 VanDerWaalsContact O-N 3.07Å; E494-R504 IonicContact OE1-CZ 3.47Å; E494-R504 IonicContact OE1-NE 3.44Å; E494-R504 PolarHBondContact OE1-NE 2.97Å; E494-R504 IonicContact OE1-NH2 2.72Å; E494-R504 PolarHBondContact OE1-NH2 3.03Å; E494-R504 IonicContact OE2-CZ 3.68Å; E494-R504 IonicContact OE2-NH2 2.84Å; E494-R504 PolarHBondContact OE2-NH2 2.92Å; E494-A509 HydrophobicContact CB-CB 3.8Å |
| 495 | C | 84.8 | Confident | 76.9 | Confident | 15 Ų | 15 | 68 Ų | 68 | 10% | 0.101 | 36% | 0.36 | C | S | . | . | trans | -114.5 | 143.4 | -179.4 | -54.8 | 0 | 0 | 0 | 0 | 113.4 | A491 C511 | A491-C495 HydrophobicContact CB-CB 4.49Å; A491-C495 VanDerWaalsContact O-CB 3.24Å; A491-C495 WeakPolarHBondContact O-CB 3.39Å; A491-C495 PolarHBondContact O-N 3.25Å; A491-C495 VanDerWaalsContact O-N 3.09Å; C495-C511 WeakPolarHBondContact CA-SG 3.47Å; C495-C511 HydrophobicContact CB-CB 3.69Å; C495-C511 WeakPolarHBondContact CB-SG 2.99Å; C495-C511 WeakPolarHBondContact SG-CB 3.47Å; C495-C511 CovalentContact SG-SG 2.03Å; C495-C511 PolarHBondContact SG-SG 3.07Å | ||
| 496 | N | 80.2 | Confident | 78.1 | Confident | 138 Ų | 138 | 67 Ų | 67 | 74% | 0.738 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -88.1 | -18 | -175.5 | -62 | -33.2 | 0 | 0 | 0 | 114.9 | N522 | N496-N522 PolarHBondContact ND2-O 2.97Š|
| 497 | S | 76.2 | Confident | 78.9 | Confident | 21 Ų | 21 | 71.2 Ų | 71.2 | 15% | 0.147 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -105.5 | 146.2 | -179.9 | -177.9 | 0 | 0 | 0 | 0 | 111.5 | T500 G521 C525 | S497-T500 WeakPolarHBondContact O-CG2 3.41Å; S497-T500 PolarHBondContact O-OG1 3.16Å; S497-G521 VanDerWaalsContact CB-O 3.3Å; S497-G521 WeakPolarHBondContact CB-O 3.21Å; S497-G521 PolarHBondContact N-O 3.05Å; S497-C525 PolarHBondContact OG-N 3.47Å |
| 498 | H | 76.7 | Confident | 79.2 | Confident | 163 Ų | 163 | 69.4 Ų | 69.4 | 76% | 0.755 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -67.8 | 162.6 | 163 | -62 | -67 | 0 | 0 | 0 | 111.3 | ||
| 499 | N | 83.7 | Confident | 79.7 | Confident | 83 Ų | 83 | 64.8 Ų | 64.8 | 44% | 0.444 | 36% | 0.357 | S | S | . | . | S | Bend | trans | 57.7 | 53.5 | -177.5 | -51 | -33.1 | 0 | 0 | 0 | 112.2 | C513 S514 F517 | N499-C513 CarbonylContact O-C 3.37Å; N499-C513 WeakPolarHBondContact O-CA 3.14Å; N499-S514 PolarHBondContact O-N 2.89Å; N499-S514 PolarHBondContact O-OG 3.23Å; N499-F517 HydrophobicContact CB-CD1 4.01Å; N499-F517 HydrophobicContact CB-CD2 3.97Å; N499-F517 HydrophobicContact CB-CE1 3.98Å; N499-F517 HydrophobicContact CB-CE2 3.93Å; N499-F517 HydrophobicContact CB-CG 4.03Å; N499-F517 HydrophobicContact CB-CZ 3.94Å; N499-F517 WeakPolarHBondContact ND2-CE1 3.11Å; N499-F517 VanDerWaalsContact ND2-CZ 3.28Å; N499-F517 WeakPolarHBondContact ND2-CZ 3.34Å |
| 500 | T | 86.3 | Confident | 79.9 | Confident | 21 Ų | 21 | 64.2 Ų | 64.2 | 13% | 0.129 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 155.2 | -176.1 | 54.3 | 0 | 0 | 0 | 0 | 113.2 | S497 I512 S514 G521 | S497-T500 WeakPolarHBondContact O-CG2 3.41Å; S497-T500 PolarHBondContact O-OG1 3.16Å; T500-I512 CarbonylContact C-O 3.53Å; T500-I512 WeakPolarHBondContact CA-O 3.18Å; T500-I512 VanDerWaalsContact CB-O 3.28Å; T500-I512 WeakPolarHBondContact CB-O 3.29Å; T500-S514 PolarHBondContact N-OG 3.11Å; T500-G521 WeakPolarHBondContact CG2-O 3.25Å |
| 501 | E | 86.1 | Confident | 80.2 | Confident | 42 Ų | 42 | 60.4 Ų | 60.4 | 20% | 0.196 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 144.8 | 168.2 | -55.5 | -170.1 | 98.2 | 0 | 0 | 109.8 | K488 Y503 C511 I512 R610 | K488-E501 IonicContact NZ-OE1 4Å; K488-E501 PolarHBondContact NZ-OE1 3.08Å; E501-Y503 HydrophobicContact CB-CE2 3.75Å; E501-C511 WeakPolarHBondContact O-CA 3.11Å; E501-I512 HydrophobicContact CB-CD1 4.41Å; E501-I512 HydrophobicContact CB-CG1 3.91Å; E501-I512 PolarHBondContact N-O 2.79Å; E501-I512 PolarHBondContact O-N 3.08Å; E501-R610 IonicContact OE2-NH1 2.78Å; E501-R610 PolarHBondContact OE2-NH1 3.39Å |
| 502 | C | 85 | Confident | 80.7 | Confident | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.007 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 129.7 | -177.1 | -171.9 | 0 | 0 | 0 | 0 | 110.7 | K488 C489 A491 | K488-C502 CarbonylContact C-O 3.53Å; K488-C502 WeakPolarHBondContact CA-O 3.45Å; K488-C502 VanDerWaalsContact CG-O 3.31Å; K488-C502 WeakPolarHBondContact CG-O 3.18Å; C489-C502 HydrophobicContact CB-CB 3.96Å; C489-C502 WeakPolarHBondContact CB-SG 3.28Å; C489-C502 PolarHBondContact N-O 3.15Å; C489-C502 WeakPolarHBondContact O-CB 3.46Å; C489-C502 WeakPolarHBondContact SG-CB 3.28Å; C489-C502 CovalentContact SG-SG 2.04Å; C489-C502 PolarHBondContact SG-SG 2.85Å; A491-C502 HydrophobicContact CB-CB 3.81Å |
| 503 | Y | 84.6 | Confident | 81.3 | Confident | 45 Ų | 45 | 53.5 Ų | 53.5 | 18% | 0.176 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 139.1 | 172.4 | -61.2 | -90.9 | 0 | 0 | 0 | 110.5 | L486 K488 C489 E501 V505 C510 I512 | L486-Y503 HydrophobicContact CB-CD1 4.22Å; L486-Y503 HydrophobicContact CD2-CD1 4.22Å; L486-Y503 HydrophobicContact CD2-CG 4.41Å; K488-Y503 HydrophobicContact CD-CE1 4.43Å; K488-Y503 HydrophobicContact CG-CD1 4.42Å; K488-Y503 HydrophobicContact CG-CE1 4.15Å; C489-Y503 PolarHBondContact SG-N 3.34Å; E501-Y503 HydrophobicContact CB-CE2 3.75Å; Y503-V505 PolarHBondContact O-N 3.3Å; Y503-C510 PolarHBondContact N-O 2.81Å; Y503-C510 WeakPolarHBondContact O-CA 3.38Å; Y503-C510 VanDerWaalsContact O-CB 3.31Å; Y503-C510 WeakPolarHBondContact O-CB 3.06Å; Y503-C510 PolarHBondContact O-N 3.38Å; Y503-I512 HydrophobicContact CD2-CD1 4.11Å; Y503-I512 HydrophobicContact CD2-CG1 4.35Å; Y503-I512 HydrophobicContact CE2-CD1 3.67Å; Y503-I512 HydrophobicContact CE2-CG1 4.14Å |
| 504 | R | 78.1 | Confident | 81.7 | Confident | 95 Ų | 95 | 50.8 Ų | 50.8 | 36% | 0.358 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 115.6 | 176.1 | -80.6 | 177.2 | 169.5 | -86.3 | -11 | 111.1 | V487 C489 E494 N507 A508 | V487-R504 PolarHBondContact O-N 2.96Å; C489-R504 HydrophobicContact CB-CG 4.02Å; E494-R504 IonicContact OE1-CZ 3.47Å; E494-R504 IonicContact OE1-NE 3.44Å; E494-R504 PolarHBondContact OE1-NE 2.97Å; E494-R504 IonicContact OE1-NH2 2.72Å; E494-R504 PolarHBondContact OE1-NH2 3.03Å; E494-R504 IonicContact OE2-CZ 3.68Å; E494-R504 IonicContact OE2-NH2 2.84Å; E494-R504 PolarHBondContact OE2-NH2 2.92Å; R504-N507 PolarHBondContact NH1-O 3.3Å; R504-A508 WeakPolarHBondContact CA-O 3.13Å |
| 505 | V | 73.1 | Confident | 81.7 | Confident | 5 Ų | 5 | 52.4 Ų | 52.4 | 3% | 0.03 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 120.7 | 176.7 | 177 | 0 | 0 | 0 | 0 | 108.5 | Y503 N507 A508 C510 K745 V747 | Y503-V505 PolarHBondContact O-N 3.3Å; V505-N507 VanDerWaalsContact C-N 3.27Å; V505-N507 PolarHBondContact O-N 3.47Å; V505-A508 PolarHBondContact N-O 2.82Å; V505-A508 PolarHBondContact O-N 2.04Å; V505-C510 HydrophobicContact CB-CB 4.2Å; V505-C510 HydrophobicContact CG2-CB 3.76Å; V505-K745 HydrophobicContact CG1-CB 3.96Å; V505-K745 HydrophobicContact CG1-CD 3.62Å; V505-K745 HydrophobicContact CG1-CG 4.46Å; V505-V747 HydrophobicContact CG1-CB 4.43Å; V505-V747 WeakPolarHBondContact CG1-O 3.3Å; V505-V747 WeakPolarHBondContact CG2-O 3.24Å |
| 506 | D | 71.8 | Confident | 81.4 | Confident | 100 Ų | 100 | 53 Ų | 53 | 54% | 0.535 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50 | 42.6 | -173.9 | -49.2 | -38.4 | 0 | 0 | 0 | 113.7 | A508 K745 | D506-A508 PolarHBondContact O-N 2.95Å; D506-A508 VanDerWaalsContact O-N 3.15Å; D506-K745 WeakPolarHBondContact OD2-CD 3.41Å; D506-K745 IonicContact OD2-NZ 2.72Å; D506-K745 PolarHBondContact OD2-NZ 3.4Å |
| 507 | N | 73.3 | Confident | 81.8 | Confident | 146 Ų | 146 | 48.8 Ų | 48.8 | 78% | 0.781 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62 | 5.9 | -172.7 | -81.5 | -13.2 | 0 | 0 | 0 | 116.8 | R504 V505 | R504-N507 PolarHBondContact NH1-O 3.3Å; V505-N507 VanDerWaalsContact C-N 3.27Å; V505-N507 PolarHBondContact O-N 3.47Å |
| 508 | A | 76.8 | Confident | 82.4 | Confident | 50 Ų | 50 | 47.9 Ų | 47.9 | 41% | 0.413 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 151.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | R504 V505 D506 C510 | R504-A508 WeakPolarHBondContact CA-O 3.13Å; V505-A508 PolarHBondContact N-O 2.82Å; V505-A508 PolarHBondContact O-N 2.04Å; D506-A508 PolarHBondContact O-N 2.95Å; D506-A508 VanDerWaalsContact O-N 3.15Å; A508-C510 PolarHBondContact O-N 2.04Å |
| 509 | A | 81.9 | Confident | 83 | Confident | 25 Ų | 25 | 40.2 Ų | 40.2 | 21% | 0.207 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 117.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | E494 | E494-A509 HydrophobicContact CB-CB 3.8Å |
| 510 | C | 85 | Confident | 83.1 | Confident | 6 Ų | 6 | 36.4 Ų | 36.4 | 4% | 0.041 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 101.6 | 165.8 | -175.6 | 0 | 0 | 0 | 0 | 108.3 | Y503 V505 A508 C742 | Y503-C510 PolarHBondContact N-O 2.81Å; Y503-C510 WeakPolarHBondContact O-CA 3.38Å; Y503-C510 VanDerWaalsContact O-CB 3.31Å; Y503-C510 WeakPolarHBondContact O-CB 3.06Å; Y503-C510 PolarHBondContact O-N 3.38Å; V505-C510 HydrophobicContact CB-CB 4.2Å; V505-C510 HydrophobicContact CG2-CB 3.76Å; A508-C510 PolarHBondContact O-N 2.04Å; C510-C742 WeakPolarHBondContact CA-SG 3.47Å; C510-C742 HydrophobicContact CB-CB 3.6Å; C510-C742 WeakPolarHBondContact CB-SG 3.46Å; C510-C742 WeakPolarHBondContact SG-CB 3.38Å; C510-C742 CovalentContact SG-SG 2.04Å; C510-C742 PolarHBondContact SG-SG 2.81Å |
| 511 | C | 87.9 | Confident | 83 | Confident | 4 Ų | 4 | 35.4 Ų | 35.4 | 3% | 0.027 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 111.8 | -179.5 | -64 | 0 | 0 | 0 | 0 | 110 | C495 E501 G521 N522 | C495-C511 WeakPolarHBondContact CA-SG 3.47Å; C495-C511 HydrophobicContact CB-CB 3.69Å; C495-C511 WeakPolarHBondContact CB-SG 2.99Å; C495-C511 WeakPolarHBondContact SG-CB 3.47Å; C495-C511 CovalentContact SG-SG 2.03Å; C495-C511 PolarHBondContact SG-SG 3.07Å; E501-C511 WeakPolarHBondContact O-CA 3.11Å; C511-G521 VanDerWaalsContact O-CA 3.32Å; C511-G521 WeakPolarHBondContact O-CA 3.31Å; C511-G521 PolarHBondContact O-N 3.5Å; C511-N522 HydrophobicContact CB-CB 4.49Å; C511-N522 WeakPolarHBondContact CB-OD1 3.48Å; C511-N522 PolarHBondContact SG-OD1 3.43Å |
| 512 | I | 86.7 | Confident | 82.9 | Confident | 6 Ų | 6 | 36.4 Ų | 36.4 | 3% | 0.031 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 155.6 | 178.7 | 67.8 | 172.9 | 0 | 0 | 0 | 108.8 | T500 E501 Y503 L743 | T500-I512 CarbonylContact C-O 3.53Å; T500-I512 WeakPolarHBondContact CA-O 3.18Å; T500-I512 VanDerWaalsContact CB-O 3.28Å; T500-I512 WeakPolarHBondContact CB-O 3.29Å; E501-I512 HydrophobicContact CB-CD1 4.41Å; E501-I512 HydrophobicContact CB-CG1 3.91Å; E501-I512 PolarHBondContact N-O 2.79Å; E501-I512 PolarHBondContact O-N 3.08Å; Y503-I512 HydrophobicContact CD2-CD1 4.11Å; Y503-I512 HydrophobicContact CD2-CG1 4.35Å; Y503-I512 HydrophobicContact CE2-CD1 3.67Å; Y503-I512 HydrophobicContact CE2-CG1 4.14Å; I512-L743 HydrophobicContact CG2-CD1 4.35Å; I512-L743 HydrophobicContact CG2-CD2 3.6Å; I512-L743 HydrophobicContact CG2-CG 4Å |
| 513 | C | 88.3 | Confident | 82.8 | Confident | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.014 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 155.7 | 170.6 | -59 | 0 | 0 | 0 | 0 | 110.4 | N499 F517 F518 C525 R610 | N499-C513 CarbonylContact O-C 3.37Å; N499-C513 WeakPolarHBondContact O-CA 3.14Å; C513-F517 HydrophobicContact CB-CB 3.84Å; C513-F517 WeakPolarHBondContact CB-O 3.49Å; C513-F518 VanDerWaalsContact SG-C 3.51Å; C513-C525 WeakPolarHBondContact CA-SG 3.48Å; C513-C525 HydrophobicContact CB-CB 3.77Å; C513-C525 WeakPolarHBondContact CB-SG 3.49Å; C513-C525 VanDerWaalsContact SG-CA 3.55Å; C513-C525 WeakPolarHBondContact SG-CB 3.49Å; C513-C525 CovalentContact SG-SG 2.04Å; C513-C525 PolarHBondContact SG-SG 2.94Å; C513-R610 PolarHBondContact O-NH1 2.88Å; C513-R610 PolarHBondContact O-NH2 2.79Å |
| 514 | S | 87.4 | Confident | 82.9 | Confident | 31 Ų | 31 | 37.9 Ų | 37.9 | 22% | 0.217 | 22% | 0.218 | C | C | . | . | P | Polyproline II helix | trans | -73.2 | 169 | 171.4 | -58.7 | 0 | 0 | 0 | 0 | 111.7 | N499 T500 F517 R610 | N499-S514 PolarHBondContact O-N 2.89Å; N499-S514 PolarHBondContact O-OG 3.23Å; T500-S514 PolarHBondContact N-OG 3.11Å; S514-F517 WeakPolarHBondContact O-CB 3.32Å; S514-F517 PolarHBondContact O-N 3.47Å; S514-F517 VanDerWaalsContact O-N 3.1Å; S514-R610 PolarHBondContact O-NH2 3.45Å |
| 515 | D | 80.9 | Confident | 83.3 | Confident | 102 Ų | 102 | 34.1 Ų | 34.1 | 55% | 0.545 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | 142.3 | 172.6 | -91.7 | -18.5 | 0 | 0 | 0 | 112.1 | F517 R610 | D515-F517 VanDerWaalsContact C-N 3.25Å; D515-F517 WeakPolarHBondContact O-CD2 3.26Å; D515-R610 WeakPolarHBondContact OD1-CD 3.43Å; D515-R610 IonicContact OD1-CZ 3.83Å; D515-R610 IonicContact OD1-NE 2.78Å; D515-R610 PolarHBondContact OD1-NE 2.72Å; D515-R610 IonicContact OD1-NH2 2.66Å |
| 516 | G | 80.2 | Confident | 84 | Confident | 27 Ų | 27 | 34 Ų | 34 | 28% | 0.278 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | 4.7 | -170.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | E528 | G516-E528 WeakPolarHBondContact CA-OE2 3.45Å; G516-E528 PolarHBondContact O-N 3.17Å |
| 517 | F | 87.7 | Confident | 84.7 | Confident | 49 Ų | 49 | 30 Ų | 30 | 22% | 0.215 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 145 | 176.9 | -62.4 | -98.2 | 0 | 0 | 0 | 112.6 | N499 C513 S514 D515 C525 W526 | N499-F517 HydrophobicContact CB-CD1 4.01Å; N499-F517 HydrophobicContact CB-CD2 3.97Å; N499-F517 HydrophobicContact CB-CE1 3.98Å; N499-F517 HydrophobicContact CB-CE2 3.93Å; N499-F517 HydrophobicContact CB-CG 4.03Å; N499-F517 HydrophobicContact CB-CZ 3.94Å; N499-F517 WeakPolarHBondContact ND2-CE1 3.11Å; N499-F517 VanDerWaalsContact ND2-CZ 3.28Å; N499-F517 WeakPolarHBondContact ND2-CZ 3.34Å; C513-F517 HydrophobicContact CB-CB 3.84Å; C513-F517 WeakPolarHBondContact CB-O 3.49Å; S514-F517 WeakPolarHBondContact O-CB 3.32Å; S514-F517 PolarHBondContact O-N 3.47Å; S514-F517 VanDerWaalsContact O-N 3.1Å; D515-F517 VanDerWaalsContact C-N 3.25Å; D515-F517 WeakPolarHBondContact O-CD2 3.26Å; F517-C525 HydrophobicContact CB-CB 4.23Å; F517-W526 CarbonylContact C-O 3.58Å; F517-W526 WeakPolarHBondContact CA-O 3.36Å; F517-W526 WeakPolarHBondContact CB-O 3.42Å; F517-W526 WeakPolarHBondContact CD1-O 3.48Å |
| 518 | F | 88.3 | Confident | 84.9 | Confident | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.009 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 160.4 | 178.5 | 65.2 | -90 | 0 | 0 | 0 | 111.7 | C513 C525 W526 E528 F534 H561 I598 F615 | C513-F518 VanDerWaalsContact SG-C 3.51Å; F518-C525 WeakPolarHBondContact O-CA 3.26Å; F518-W526 HydrophobicContact CD1-CB 4.39Å; F518-W526 HydrophobicContact CD2-CB 4.28Å; F518-W526 HydrophobicContact CE1-CB 3.88Å; F518-W526 HydrophobicContact CE2-CB 3.75Å; F518-W526 HydrophobicContact CE2-CG 4.28Å; F518-W526 HydrophobicContact CZ-CB 3.54Å; F518-W526 HydrophobicContact CZ-CG 4.34Å; F518-W526 PolarHBondContact N-O 3.12Å; F518-W526 PolarHBondContact O-N 3.33Å; F518-E528 HydrophobicContact CD1-CG 3.77Å; F518-E528 HydrophobicContact CE1-CG 4.37Å; F518-F534 HydrophobicContact CE2-CE2 4.11Å; F518-F534 AromaticContact CE2-CZ 3.82Å; F518-F534 HydrophobicContact CE2-CZ 3.82Å; F518-F534 HydrophobicContact CZ-CE2 4.18Å; F518-F534 HydrophobicContact CZ-CZ 4.21Å; F518-H561 AromaticContact CE1-CD2 3.67Å; F518-H561 AromaticContact CE1-NE2 3.74Å; F518-I598 HydrophobicContact CD2-CG2 3.74Å; F518-I598 HydrophobicContact CE1-CG2 4.18Å; F518-I598 HydrophobicContact CE2-CD1 4.25Å; F518-I598 HydrophobicContact CE2-CG2 3.33Å; F518-I598 HydrophobicContact CG-CG2 4.31Å; F518-I598 HydrophobicContact CZ-CG2 3.58Å; F518-F615 AromaticContact CD2-CD1 3.85Å; F518-F615 HydrophobicContact CD2-CD1 3.85Å; F518-F615 HydrophobicContact CD2-CE1 4.07Å; F518-F615 HydrophobicContact CE2-CD1 4.35Å; F518-F615 HydrophobicContact CE2-CE1 4.31Å |
| 519 | G | 89.4 | Confident | 84.7 | Confident | 3 Ų | 3 | 28 Ų | 28 | 3% | 0.031 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 121.2 | -133 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | T616 | G519-T616 PolarHBondContact N-OG1 2.85Å |
| 520 | A | 87 | Confident | 84.5 | Confident | 2 Ų | 2 | 31.1 Ų | 31.1 | 2% | 0.017 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 113.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | N522 A523 K524 N619 Q622 | A520-N522 PolarHBondContact O-N 3.2Å; A520-A523 HydrophobicContact CB-CB 4.19Å; A520-A523 CarbonylContact O-C 3.59Å; A520-A523 PolarHBondContact O-N 2.66Å; A520-K524 PolarHBondContact N-O 3.46Å; A520-K524 CarbonylContact O-C 3.44Å; A520-K524 PolarHBondContact O-N 2.99Å; A520-K524 VanDerWaalsContact O-O 3.1Å; A520-N619 WeakPolarHBondContact CB-O 3.08Å; A520-Q622 HydrophobicContact CB-CG 4.07Å |
| 521 | G | 82.6 | Confident | 84.1 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -13.8 | -177 | 0 | 0 | 0 | 0 | 0 | 115.3 | S497 T500 C511 | S497-G521 VanDerWaalsContact CB-O 3.3Å; S497-G521 WeakPolarHBondContact CB-O 3.21Å; S497-G521 PolarHBondContact N-O 3.05Å; T500-G521 WeakPolarHBondContact CG2-O 3.25Å; C511-G521 VanDerWaalsContact O-CA 3.32Å; C511-G521 WeakPolarHBondContact O-CA 3.31Å; C511-G521 PolarHBondContact O-N 3.5Å |
| 522 | N | 84.4 | Confident | 83.8 | Confident | 63 Ų | 63 | 35.3 Ų | 35.3 | 34% | 0.337 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 3.2 | 172.7 | -84.9 | -29.3 | 0 | 0 | 0 | 114.9 | N496 C511 A520 | N496-N522 PolarHBondContact ND2-O 2.97Å; C511-N522 HydrophobicContact CB-CB 4.49Å; C511-N522 WeakPolarHBondContact CB-OD1 3.48Å; C511-N522 PolarHBondContact SG-OD1 3.43Å; A520-N522 PolarHBondContact O-N 3.2Å |
| 523 | A | 83.3 | Confident | 83.7 | Confident | 38 Ų | 38 | 39 Ų | 39 | 31% | 0.314 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -136.7 | -62.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | A520 Q622 | A520-A523 HydrophobicContact CB-CB 4.19Å; A520-A523 CarbonylContact O-C 3.59Å; A520-A523 PolarHBondContact O-N 2.66Å; A523-Q622 HydrophobicContact CB-CG 3.75Å |
| 524 | K | 86.3 | Confident | 83.7 | Confident | 39 Ų | 39 | 39 Ų | 39 | 17% | 0.17 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.2 | 137.5 | -179.7 | -170.2 | 160.5 | 177.6 | 167.5 | 0 | 111.6 | A520 W526 F650 T652 | A520-K524 PolarHBondContact N-O 3.46Å; A520-K524 CarbonylContact O-C 3.44Å; A520-K524 PolarHBondContact O-N 2.99Å; A520-K524 VanDerWaalsContact O-O 3.1Å; K524-W526 HydrophobicContact CB-CE3 4.44Å; K524-W526 HydrophobicContact CB-CH2 3.95Å; K524-W526 HydrophobicContact CB-CZ2 4.32Å; K524-W526 HydrophobicContact CB-CZ3 3.99Å; K524-W526 HydrophobicContact CD-CH2 4.26Å; K524-W526 HydrophobicContact CD-CZ2 3.79Å; K524-W526 HydrophobicContact CG-CD2 4.16Å; K524-W526 HydrophobicContact CG-CE3 4.26Å; K524-W526 HydrophobicContact CG-CH2 4.14Å; K524-W526 HydrophobicContact CG-CZ2 4.04Å; K524-W526 HydrophobicContact CG-CZ3 4.23Å; K524-W526 WeakPolarHBondContact O-CZ3 3.36Å; K524-F650 HydrophobicContact CB-CD2 4.22Å; K524-F650 HydrophobicContact CB-CE2 4.43Å; K524-F650 HydrophobicContact CD-CD2 3.88Å; K524-F650 PolarHBondContact NZ-O 2.86Å; K524-T652 PolarHBondContact NZ-O 2.8Å |
| 525 | C | 88.1 | Confident | 83.7 | Confident | 16 Ų | 16 | 38.3 Ų | 38.3 | 11% | 0.108 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 126.3 | 170.7 | -68.3 | 0 | 0 | 0 | 0 | 110 | S497 C513 F517 F518 | S497-C525 PolarHBondContact OG-N 3.47Å; C513-C525 WeakPolarHBondContact CA-SG 3.48Å; C513-C525 HydrophobicContact CB-CB 3.77Å; C513-C525 WeakPolarHBondContact CB-SG 3.49Å; C513-C525 VanDerWaalsContact SG-CA 3.55Å; C513-C525 WeakPolarHBondContact SG-CB 3.49Å; C513-C525 CovalentContact SG-SG 2.04Å; C513-C525 PolarHBondContact SG-SG 2.94Å; F517-C525 HydrophobicContact CB-CB 4.23Å; F518-C525 WeakPolarHBondContact O-CA 3.26Å |
| 526 | W | 87.3 | Confident | 84.3 | Confident | 4 Ų | 4 | 33.6 Ų | 33.6 | 2% | 0.015 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 144.4 | 177 | -68 | -97.8 | 0 | 0 | 0 | 109.7 | F517 F518 K524 H532 F534 F615 L647 F650 A656 | F517-W526 CarbonylContact C-O 3.58Å; F517-W526 WeakPolarHBondContact CA-O 3.36Å; F517-W526 WeakPolarHBondContact CB-O 3.42Å; F517-W526 WeakPolarHBondContact CD1-O 3.48Å; F518-W526 HydrophobicContact CD1-CB 4.39Å; F518-W526 HydrophobicContact CD2-CB 4.28Å; F518-W526 HydrophobicContact CE1-CB 3.88Å; F518-W526 HydrophobicContact CE2-CB 3.75Å; F518-W526 HydrophobicContact CE2-CG 4.28Å; F518-W526 HydrophobicContact CZ-CB 3.54Å; F518-W526 HydrophobicContact CZ-CG 4.34Å; F518-W526 PolarHBondContact N-O 3.12Å; F518-W526 PolarHBondContact O-N 3.33Å; K524-W526 HydrophobicContact CB-CE3 4.44Å; K524-W526 HydrophobicContact CB-CH2 3.95Å; K524-W526 HydrophobicContact CB-CZ2 4.32Å; K524-W526 HydrophobicContact CB-CZ3 3.99Å; K524-W526 HydrophobicContact CD-CH2 4.26Å; K524-W526 HydrophobicContact CD-CZ2 3.79Å; K524-W526 HydrophobicContact CG-CD2 4.16Å; K524-W526 HydrophobicContact CG-CE3 4.26Å; K524-W526 HydrophobicContact CG-CH2 4.14Å; K524-W526 HydrophobicContact CG-CZ2 4.04Å; K524-W526 HydrophobicContact CG-CZ3 4.23Å; K524-W526 WeakPolarHBondContact O-CZ3 3.36Å; W526-H532 AromaticContact CD1-CG 3.79Å; W526-H532 AromaticContact CD1-ND1 3.61Å; W526-F534 AromaticContact CD1-CZ 3.9Å; W526-F534 HydrophobicContact CD2-CE1 4.21Å; W526-F534 AromaticContact CD2-CZ 3.89Å; W526-F534 HydrophobicContact CD2-CZ 3.89Å; W526-F534 AromaticContact CE2-CE1 3.77Å; W526-F534 AromaticContact CE2-CZ 3.75Å; W526-F534 AromaticContact CG-CZ 3.96Å; W526-F534 HydrophobicContact CG-CZ 3.96Å; W526-F534 HydrophobicContact CH2-CE1 4.29Å; W526-F534 AromaticContact CZ2-CE1 3.79Å; W526-F534 HydrophobicContact CZ2-CE1 3.79Å; W526-F534 HydrophobicContact CZ2-CZ 4.27Å; W526-F534 AromaticContact NE1-CZ 3.77Å; W526-F615 AromaticContact CE3-CE1 3.85Å; W526-F615 HydrophobicContact CE3-CE1 3.85Å; W526-F615 HydrophobicContact CE3-CZ 4.31Å; W526-F615 HydrophobicContact CH2-CE1 4.25Å; W526-F615 AromaticContact CH2-CZ 3.91Å; W526-F615 HydrophobicContact CH2-CZ 3.91Å; W526-F615 AromaticContact CZ3-CE1 3.55Å; W526-F615 HydrophobicContact CZ3-CE1 3.55Å; W526-F615 AromaticContact CZ3-CZ 3.69Å; W526-F615 HydrophobicContact CZ3-CZ 3.69Å; W526-L647 HydrophobicContact CH2-CD2 3.72Å; W526-L647 HydrophobicContact CZ2-CD2 4.15Å; W526-F650 HydrophobicContact CH2-CB 4.35Å; W526-F650 HydrophobicContact CZ2-CB 3.89Å; W526-A656 HydrophobicContact CZ2-CB 4.35Å |
| 527 | S | 85 | Confident | 84.8 | Confident | 16 Ų | 16 | 35.7 Ų | 35.7 | 11% | 0.112 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 139.9 | 176.5 | 179.4 | 0 | 0 | 0 | 0 | 111.1 | V529 H532 | S527-V529 PolarHBondContact O-N 2.87Å; S527-V529 PolarHBondContact OG-N 3.26Å; S527-H532 VanDerWaalsContact CA-NE2 3.34Å; S527-H532 WeakPolarHBondContact CA-NE2 3.44Å; S527-H532 WeakPolarHBondContact CB-NE2 3.23Å; S527-H532 PolarHBondContact N-NE2 2.76Å; S527-H532 PolarHBondContact O-CD2 2.95Å; S527-H532 VanDerWaalsContact O-CD2 3.24Å; S527-H532 PolarHBondContact O-NE2 2.8Å |
| 528 | E | 79 | Confident | 85 | Confident | 40 Ų | 40 | 34.2 Ų | 34.2 | 19% | 0.187 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -69.1 | -16.1 | 173.1 | -66.7 | 179.1 | 157.8 | 0 | 0 | 113.4 | G516 F518 P601 | G516-E528 WeakPolarHBondContact CA-OE2 3.45Å; G516-E528 PolarHBondContact O-N 3.17Å; F518-E528 HydrophobicContact CD1-CG 3.77Å; F518-E528 HydrophobicContact CE1-CG 4.37Å; E528-P601 WeakPolarHBondContact OE1-CD 3.5Å |
| 529 | V | 72.9 | Confident | 85.3 | Confident | 112 Ų | 112 | 35.4 Ų | 35.4 | 68% | 0.679 | 21% | 0.206 | S | C | * | . | S | Bend | trans | -94.2 | -33.5 | -176.1 | -171.3 | 0 | 0 | 0 | 0 | 112.3 | S527 | S527-V529 PolarHBondContact O-N 2.87Å; S527-V529 PolarHBondContact OG-N 3.26Å |
| 530 | N | 77 | Confident | 85.5 | Confident | 92 Ų | 92 | 35.3 Ų | 35.3 | 49% | 0.492 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -83.1 | 149 | -176.5 | -67.1 | -13.3 | 0 | 0 | 0 | 111.5 | H532 G562 | N530-H532 WeakPolarHBondContact CB-NE2 3.46Å; N530-H532 PolarHBondContact O-CD2 2.86Å; N530-H532 PolarHBondContact O-N 2.92Å; N530-H532 PolarHBondContact O-NE2 2.84Å; N530-G562 WeakPolarHBondContact O-CA 3.33Å |
| 531 | D | 76.3 | Confident | 85.7 | Confident | 73 Ų | 73 | 37 Ų | 37 | 39% | 0.39 | 22% | 0.215 | S | C | . | . | trans | -72.4 | 122.8 | 176.8 | -74.9 | -52.6 | 0 | 0 | 0 | 112.5 | H561 S563 L564 | D531-H561 CarbonylContact C-O 3.34Å; D531-H561 VanDerWaalsContact CA-O 3.3Å; D531-H561 WeakPolarHBondContact CA-O 3.32Å; D531-S563 PolarHBondContact OD1-N 2.84Å; D531-S563 PolarHBondContact OD1-OG 2.9Å; D531-S563 WeakPolarHBondContact OD2-CB 3.25Å; D531-S563 PolarHBondContact OD2-OG 3.4Å; D531-L564 PolarHBondContact OD1-N 3.21Å | ||
| 532 | H | 82.4 | Confident | 86 | Confident | 24 Ų | 24 | 37 Ų | 37 | 11% | 0.111 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 140.7 | 179.6 | -60.6 | -58.8 | 0 | 0 | 0 | 110.8 | W526 S527 N530 F534 Q560 H561 G653 A654 | W526-H532 AromaticContact CD1-CG 3.79Å; W526-H532 AromaticContact CD1-ND1 3.61Å; S527-H532 VanDerWaalsContact CA-NE2 3.34Å; S527-H532 WeakPolarHBondContact CA-NE2 3.44Å; S527-H532 WeakPolarHBondContact CB-NE2 3.23Å; S527-H532 PolarHBondContact N-NE2 2.76Å; S527-H532 PolarHBondContact O-CD2 2.95Å; S527-H532 VanDerWaalsContact O-CD2 3.24Å; S527-H532 PolarHBondContact O-NE2 2.8Å; N530-H532 WeakPolarHBondContact CB-NE2 3.46Å; N530-H532 PolarHBondContact O-CD2 2.86Å; N530-H532 PolarHBondContact O-N 2.92Å; N530-H532 PolarHBondContact O-NE2 2.84Å; H532-F534 HydrophobicContact CB-CD2 4.47Å; H532-F534 HydrophobicContact CB-CE2 3.69Å; H532-F534 HydrophobicContact CB-CZ 4.38Å; H532-Q560 WeakPolarHBondContact O-CA 3.44Å; H532-H561 PolarHBondContact N-O 2.8Å; H532-H561 PolarHBondContact O-N 2.88Å; H532-G653 PolarHBondContact CE1-O 3.1Å; H532-G653 PolarHBondContact ND1-O 3.39Å; H532-A654 CarbonylContact C-O 3.52Å; H532-A654 WeakPolarHBondContact CA-O 3.42Å |
| 533 | K | 82.9 | Confident | 86.2 | Confident | 85 Ų | 85 | 40 Ų | 40 | 37% | 0.37 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 127.6 | 175.7 | -175.9 | 176.4 | -177.4 | 177.8 | 0 | 111.1 | I559 A654 Y655 A656 | K533-I559 CarbonylContact C-O 3.48Å; K533-I559 WeakPolarHBondContact CA-O 3.31Å; K533-A654 PolarHBondContact N-O 2.98Å; K533-Y655 HydrophobicContact CB-CD2 4.18Å; K533-Y655 HydrophobicContact CD-CD2 4.37Å; K533-Y655 HydrophobicContact CG-CD2 4.18Å; K533-Y655 HydrophobicContact CG-CE2 4.44Å; K533-Y655 WeakPolarHBondContact O-CA 3.33Å; K533-Y655 WeakPolarHBondContact O-CD2 3.42Å; K533-A656 PolarHBondContact O-N 3.45Å |
| 534 | F | 88.7 | Confident | 86.3 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 0% | 0.004 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 126.7 | 175.8 | -59.5 | -102.5 | 0 | 0 | 0 | 108.9 | F518 W526 H532 F536 D558 I559 I598 F615 L647 A656 | F518-F534 HydrophobicContact CE2-CE2 4.11Å; F518-F534 AromaticContact CE2-CZ 3.82Å; F518-F534 HydrophobicContact CE2-CZ 3.82Å; F518-F534 HydrophobicContact CZ-CE2 4.18Å; F518-F534 HydrophobicContact CZ-CZ 4.21Å; W526-F534 AromaticContact CD1-CZ 3.9Å; W526-F534 HydrophobicContact CD2-CE1 4.21Å; W526-F534 AromaticContact CD2-CZ 3.89Å; W526-F534 HydrophobicContact CD2-CZ 3.89Å; W526-F534 AromaticContact CE2-CE1 3.77Å; W526-F534 AromaticContact CE2-CZ 3.75Å; W526-F534 AromaticContact CG-CZ 3.96Å; W526-F534 HydrophobicContact CG-CZ 3.96Å; W526-F534 HydrophobicContact CH2-CE1 4.29Å; W526-F534 AromaticContact CZ2-CE1 3.79Å; W526-F534 HydrophobicContact CZ2-CE1 3.79Å; W526-F534 HydrophobicContact CZ2-CZ 4.27Å; W526-F534 AromaticContact NE1-CZ 3.77Å; H532-F534 HydrophobicContact CB-CD2 4.47Å; H532-F534 HydrophobicContact CB-CE2 3.69Å; H532-F534 HydrophobicContact CB-CZ 4.38Å; F534-F536 HydrophobicContact CB-CE2 3.84Å; F534-D558 CarbonylContact O-C 3.48Å; F534-D558 WeakPolarHBondContact O-CA 3.36Å; F534-I559 HydrophobicContact CB-CB 4.36Å; F534-I559 PolarHBondContact N-O 2.83Å; F534-I559 PolarHBondContact O-N 3.43Å; F534-I598 HydrophobicContact CB-CD1 4.27Å; F534-I598 HydrophobicContact CD1-CD1 3.92Å; F534-I598 HydrophobicContact CD2-CD1 3.33Å; F534-I598 HydrophobicContact CE1-CD1 4.06Å; F534-I598 HydrophobicContact CE2-CD1 3.51Å; F534-I598 HydrophobicContact CG-CD1 3.57Å; F534-I598 HydrophobicContact CZ-CD1 3.88Å; F534-F615 HydrophobicContact CD1-CE2 4.43Å; F534-F615 HydrophobicContact CD1-CZ 4.38Å; F534-F615 HydrophobicContact CE1-CE1 4.43Å; F534-F615 HydrophobicContact CE1-CE2 4.3Å; F534-F615 AromaticContact CE1-CZ 3.82Å; F534-F615 HydrophobicContact CE1-CZ 3.82Å; F534-L647 HydrophobicContact CD1-CD1 4.35Å; F534-A656 CarbonylContact C-O 3.47Å; F534-A656 VanDerWaalsContact CA-O 3.3Å; F534-A656 WeakPolarHBondContact CA-O 3.32Å; F534-A656 HydrophobicContact CD1-CB 3.78Å; F534-A656 HydrophobicContact CE1-CB 3.99Å |
| 535 | S | 88.5 | Confident | 86.1 | Confident | 17 Ų | 17 | 37.5 Ų | 37.5 | 12% | 0.119 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 123.4 | 179.7 | -167.1 | 0 | 0 | 0 | 0 | 111.4 | D558 A656 S657 G658 | S535-D558 WeakPolarHBondContact CB-OD1 3.5Å; S535-D558 PolarHBondContact OG-OD1 3.45Å; S535-A656 PolarHBondContact N-O 3Å; S535-S657 CarbonylContact O-C 3.53Å; S535-S657 WeakPolarHBondContact O-CA 3.45Å; S535-G658 PolarHBondContact O-N 2.86Å |
| 536 | F | 93.5 | Very high | 85.5 | Confident | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.009 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 140.5 | 178.5 | -56.4 | -99.9 | 0 | 0 | 0 | 109.9 | F534 Y556 L557 L621 L647 G658 I660 | F534-F536 HydrophobicContact CB-CE2 3.84Å; F536-Y556 CarbonylContact O-C 3.58Å; F536-Y556 VanDerWaalsContact O-CA 3.27Å; F536-Y556 WeakPolarHBondContact O-CA 3.12Å; F536-L557 HydrophobicContact CB-CB 4.2Å; F536-L557 HydrophobicContact CD2-CB 4.41Å; F536-L557 HydrophobicContact CD2-CD2 3.92Å; F536-L557 HydrophobicContact CD2-CG 4.05Å; F536-L557 HydrophobicContact CE2-CD2 4.41Å; F536-L557 HydrophobicContact CG-CD2 4.44Å; F536-L557 PolarHBondContact N-O 2.86Å; F536-L557 PolarHBondContact O-N 3.15Å; F536-L621 HydrophobicContact CE1-CD1 3.74Å; F536-L621 HydrophobicContact CZ-CD1 3.65Å; F536-L647 HydrophobicContact CE1-CD1 3.92Å; F536-L647 HydrophobicContact CZ-CD1 3.8Å; F536-G658 WeakPolarHBondContact CA-O 3.37Å; F536-I660 HydrophobicContact CB-CB 4.12Å; F536-I660 HydrophobicContact CB-CG2 3.81Å |
| 537 | S | 90 | Very high | 84.9 | Confident | 72 Ų | 72 | 44.7 Ų | 44.7 | 50% | 0.503 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 157.4 | 175.1 | 62.8 | 0 | 0 | 0 | 0 | 111.6 | I555 G658 V659 I660 | S537-I555 WeakPolarHBondContact CA-O 3.3Å; S537-G658 PolarHBondContact N-O 2.98Å; S537-V659 VanDerWaalsContact O-CA 3.25Å; S537-V659 WeakPolarHBondContact O-CA 3.21Å; S537-I660 PolarHBondContact O-N 2.9Å; S537-I660 VanDerWaalsContact O-N 3.09Å |
| 538 | G | 93.3 | Very high | 84.4 | Confident | 17 Ų | 17 | 49 Ų | 49 | 18% | 0.175 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 167.6 | -143.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | I555 I660 | G538-I555 PolarHBondContact N-O 3.1Å; G538-I555 VanDerWaalsContact N-O 3.17Å; G538-I555 PolarHBondContact O-N 2.81Å; G538-I660 WeakPolarHBondContact CA-O 3.38Å |
| 539 | S | 92.8 | Very high | 83.8 | Confident | 27 Ų | 27 | 48.3 Ų | 48.3 | 19% | 0.189 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 154.7 | -172.1 | 80.9 | 0 | 0 | 0 | 0 | 115.4 | L553 I555 I660 E661 L662 | S539-L553 CarbonylContact C-O 3.24Å; S539-L553 VanDerWaalsContact CA-O 3.26Å; S539-L553 WeakPolarHBondContact CA-O 3.32Å; S539-I555 VanDerWaalsContact O-CD1 3.3Å; S539-I555 WeakPolarHBondContact O-CD1 3.46Å; S539-I660 PolarHBondContact N-O 2.92Å; S539-E661 WeakPolarHBondContact CA-OE2 3.28Å; S539-E661 WeakPolarHBondContact CB-OE2 3.15Å; S539-E661 PolarHBondContact N-OE2 3.45Å; S539-E661 PolarHBondContact OG-OE2 2.92Å; S539-L662 PolarHBondContact O-N 2.83Å |
| 540 | L | 93.5 | Very high | 83.3 | Confident | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 124.7 | 167 | -174.1 | 164.6 | 0 | 0 | 0 | 109.3 | A542 P552 L553 I555 I571 I584 I587 L662 | L540-A542 HydrophobicContact CD2-CB 4.48Å; L540-P552 CarbonylContact O-C 3.46Å; L540-P552 WeakPolarHBondContact O-CA 3.4Å; L540-L553 HydrophobicContact CB-CB 4.36Å; L540-L553 PolarHBondContact N-O 2.7Å; L540-L553 PolarHBondContact O-N 3.06Å; L540-I555 HydrophobicContact CB-CG2 3.71Å; L540-I555 HydrophobicContact CD1-CG2 4.43Å; L540-I571 HydrophobicContact CD1-CD1 3.98Å; L540-I571 HydrophobicContact CD1-CG1 4.46Å; L540-I584 HydrophobicContact CD1-CG2 4.16Å; L540-I584 HydrophobicContact CD2-CD1 3.73Å; L540-I587 HydrophobicContact CD1-CD1 3.97Å; L540-L662 CarbonylContact C-O 3.57Å; L540-L662 VanDerWaalsContact CA-O 3.27Å; L540-L662 WeakPolarHBondContact CA-O 3.49Å; L540-L662 HydrophobicContact CB-CB 3.99Å; L540-L662 HydrophobicContact CD1-CB 4.22Å; L540-L662 HydrophobicContact CD1-CD1 3.92Å; L540-L662 HydrophobicContact CG-CB 3.82Å; L540-L662 HydrophobicContact CG-CD1 4.42Å |
| 541 | T | 91.8 | Very high | 82.9 | Confident | 37 Ų | 37 | 47.4 Ų | 47.4 | 23% | 0.227 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 147.6 | 172.3 | 56.9 | 0 | 0 | 0 | 0 | 110.9 | P552 L662 A664 | T541-P552 HydrophobicContact CG2-CB 3.81Å; T541-P552 HydrophobicContact CG2-CG 3.94Å; T541-L662 PolarHBondContact N-O 3.34Å; T541-A664 PolarHBondContact O-N 2.94Å |
| 542 | A | 89.7 | Confident | 83.1 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.008 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 136 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | L540 F544 H548 S549 I580 I584 A664 | L540-A542 HydrophobicContact CD2-CB 4.48Å; A542-F544 HydrophobicContact CB-CE2 4.02Å; A542-F544 HydrophobicContact CB-CZ 4.16Å; A542-H548 CarbonylContact O-C 3.55Å; A542-H548 WeakPolarHBondContact O-CA 3.46Å; A542-S549 PolarHBondContact N-OG 2.79Å; A542-S549 VanDerWaalsContact N-OG 3.1Å; A542-S549 PolarHBondContact O-N 2.83Å; A542-S549 PolarHBondContact O-OG 2.89Å; A542-I580 HydrophobicContact CB-CG2 3.57Å; A542-I584 HydrophobicContact CB-CD1 3.95Å; A542-A664 CarbonylContact C-O 3.54Å; A542-A664 VanDerWaalsContact CA-O 3.27Å; A542-A664 WeakPolarHBondContact CA-O 3.49Å; A542-A664 HydrophobicContact CB-CB 4.19Å |
| 543 | R | 87.6 | Confident | 83.3 | Confident | 125 Ų | 125 | 47 Ų | 47 | 47% | 0.472 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 94.3 | -176 | -66.2 | 179.9 | 174.9 | 148.3 | -3.3 | 112.2 | E547 E663 A664 F665 S666 | R543-E547 CarbonylContact C-O 3.56Å; R543-E663 IonicContact CZ-OE1 2.74Å; R543-E663 IonicContact NH1-OE1 2.94Å; R543-E663 PolarHBondContact NH1-OE1 3.42Å; R543-A664 PolarHBondContact N-O 2.81Å; R543-F665 HydrophobicContact CB-CB 4.46Å; R543-F665 CarbonylContact O-C 3.55Å; R543-F665 WeakPolarHBondContact O-CA 3.49Å; R543-S666 PolarHBondContact O-N 3.44Å |
| 544 | F | 86.7 | Confident | 83.6 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 0% | 0.004 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 93.6 | -177.7 | -54.7 | -49.4 | 0 | 0 | 0 | 110.6 | A542 S546 E547 I580 F639 A664 L670 L672 | A542-F544 HydrophobicContact CB-CE2 4.02Å; A542-F544 HydrophobicContact CB-CZ 4.16Å; F544-S546 PolarHBondContact O-N 3.35Å; F544-S546 VanDerWaalsContact O-N 3.11Å; F544-E547 PolarHBondContact N-O 2.84Å; F544-E547 PolarHBondContact O-N 2.92Å; F544-I580 HydrophobicContact CE2-CG2 4.17Å; F544-F639 HydrophobicContact CD1-CB 4.14Å; F544-F639 HydrophobicContact CE1-CB 3.81Å; F544-F639 HydrophobicContact CE1-CD2 4.02Å; F544-F639 AromaticContact CE1-CG 3.89Å; F544-F639 HydrophobicContact CE1-CG 3.89Å; F544-F639 HydrophobicContact CZ-CD2 4.42Å; F544-A664 HydrophobicContact CE1-CB 4.06Å; F544-A664 HydrophobicContact CZ-CB 3.9Å; F544-L670 HydrophobicContact CB-CB 4.43Å; F544-L670 HydrophobicContact CB-CD1 3.98Å; F544-L670 HydrophobicContact CB-CG 4.03Å; F544-L670 HydrophobicContact CD1-CD1 3.49Å; F544-L670 VanDerWaalsContact CD1-CD1 3.49Å; F544-L670 HydrophobicContact CD1-CG 4.28Å; F544-L670 HydrophobicContact CD2-CD1 3.99Å; F544-L670 HydrophobicContact CE1-CD1 3.9Å; F544-L670 HydrophobicContact CE2-CD1 4.33Å; F544-L670 HydrophobicContact CG-CD1 3.54Å; F544-L670 HydrophobicContact CG-CG 4.17Å; F544-L670 HydrophobicContact CZ-CD1 4.29Å; F544-L672 HydrophobicContact CD2-CD2 3.81Å; F544-L672 HydrophobicContact CE2-CD2 4.33Å |
| 545 | G | 80.6 | Confident | 83.8 | Confident | 25 Ų | 25 | 49.5 Ų | 49.5 | 26% | 0.258 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | -112.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | H548 S666 E668 N669 | G545-H548 PolarHBondContact O-CE1 2.86Å; G545-H548 VanDerWaalsContact O-CE1 3.26Å; G545-S666 PolarHBondContact N-O 2.82Å; G545-E668 PolarHBondContact N-O 2.04Å; G545-N669 VanDerWaalsContact CA-OD1 3.3Å; G545-N669 WeakPolarHBondContact CA-OD1 3.48Å |
| 546 | S | 75.3 | Confident | 84.1 | Confident | 90 Ų | 90 | 50.1 Ų | 50.1 | 63% | 0.629 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -9.8 | 175 | 54.8 | 0 | 0 | 0 | 0 | 115.3 | F544 N669 | F544-S546 PolarHBondContact O-N 3.35Å; F544-S546 VanDerWaalsContact O-N 3.11Å; S546-N669 PolarHBondContact N-OD1 2.93Å; S546-N669 PolarHBondContact OG-OD1 2.94Å |
| 547 | E | 74.8 | Confident | 84.1 | Confident | 81 Ų | 81 | 50 Ų | 50 | 38% | 0.379 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 132.6 | -178.5 | -62.7 | -171.9 | 160 | 0 | 0 | 110.6 | R543 F544 L672 | R543-E547 CarbonylContact C-O 3.56Å; F544-E547 PolarHBondContact N-O 2.84Å; F544-E547 PolarHBondContact O-N 2.92Å; E547-L672 WeakPolarHBondContact OE2-CD1 3.29Å |
| 548 | H | 74.7 | Confident | 84.2 | Confident | 106 Ų | 106 | 48.7 Ų | 48.7 | 49% | 0.491 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 143.3 | -175.1 | -59.8 | -19.7 | 0 | 0 | 0 | 110 | A542 G545 S550 I580 | A542-H548 CarbonylContact O-C 3.55Å; A542-H548 WeakPolarHBondContact O-CA 3.46Å; G545-H548 PolarHBondContact O-CE1 2.86Å; G545-H548 VanDerWaalsContact O-CE1 3.26Å; H548-S550 PolarHBondContact O-N 2.98Å; H548-I580 VanDerWaalsContact C-CD1 3.42Å |
| 549 | S | 66 | Low | 84 | Confident | 25 Ų | 25 | 48 Ų | 48 | 18% | 0.175 | 27% | 0.272 | C | S | . | . | trans | -60.8 | 129.6 | 173.9 | 56.9 | 0 | 0 | 0 | 0 | 110.3 | A542 S551 | A542-S549 PolarHBondContact N-OG 2.79Å; A542-S549 VanDerWaalsContact N-OG 3.1Å; A542-S549 PolarHBondContact O-N 2.83Å; A542-S549 PolarHBondContact O-OG 2.89Å; S549-S551 PolarHBondContact O-N 2.93Å | ||
| 550 | S | 63.7 | Low | 83.6 | Confident | 118 Ų | 118 | 50.4 Ų | 50.4 | 83% | 0.825 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -64.8 | -26 | -177.9 | 51.7 | 0 | 0 | 0 | 0 | 113.8 | H548 | H548-S550 PolarHBondContact O-N 2.98Š|
| 551 | S | 69.2 | Low | 83.1 | Confident | 68 Ų | 68 | 50.5 Ų | 50.5 | 48% | 0.476 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -147 | 152.1 | 177.6 | 46 | 0 | 0 | 0 | 0 | 109 | S549 | S549-S551 PolarHBondContact O-N 2.93Š|
| 552 | P | 80 | Confident | 82.4 | Confident | 71 Ų | 71 | 49 Ų | 49 | 46% | 0.461 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 138.6 | 167.4 | -15.7 | 29.7 | 0 | 0 | 0 | 110.2 | L540 T541 | L540-P552 CarbonylContact O-C 3.46Å; L540-P552 WeakPolarHBondContact O-CA 3.4Å; T541-P552 HydrophobicContact CG2-CB 3.81Å; T541-P552 HydrophobicContact CG2-CG 3.94Å |
| 553 | L | 86.5 | Confident | 81.4 | Confident | 18 Ų | 18 | 53.5 Ų | 53.5 | 9% | 0.094 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 147.9 | 168.5 | -64 | 173.5 | 0 | 0 | 0 | 109 | S539 L540 I571 Y581 I584 | S539-L553 CarbonylContact C-O 3.24Å; S539-L553 VanDerWaalsContact CA-O 3.26Å; S539-L553 WeakPolarHBondContact CA-O 3.32Å; L540-L553 HydrophobicContact CB-CB 4.36Å; L540-L553 PolarHBondContact N-O 2.7Å; L540-L553 PolarHBondContact O-N 3.06Å; L553-I571 HydrophobicContact CB-CG2 3.77Å; L553-I571 HydrophobicContact CD1-CG2 3.97Å; L553-I571 HydrophobicContact CG-CG2 4.39Å; L553-Y581 HydrophobicContact CD1-CD2 3.89Å; L553-I584 HydrophobicContact CD1-CD1 4.37Å |
| 554 | H | 88.1 | Confident | 80.2 | Confident | 131 Ų | 131 | 51.8 Ų | 51.8 | 61% | 0.606 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80 | 144.3 | 175.2 | -76.9 | -74.3 | 0 | 0 | 0 | 110.3 | I571 R572 | H554-I571 CarbonylContact O-C 3.59Å; H554-I571 WeakPolarHBondContact O-CA 3.24Å; H554-R572 HydrophobicContact CB-CB 4.15Å; H554-R572 PolarHBondContact N-O 2.75Å; H554-R572 PolarHBondContact O-N 3.03Å |
| 555 | I | 93.6 | Very high | 79.7 | Confident | 6 Ų | 6 | 55.1 Ų | 55.1 | 3% | 0.031 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 156 | 175.8 | 56.8 | 172 | 0 | 0 | 0 | 111.6 | S537 G538 S539 L540 G570 I571 I660 L662 | S537-I555 WeakPolarHBondContact CA-O 3.3Å; G538-I555 PolarHBondContact N-O 3.1Å; G538-I555 VanDerWaalsContact N-O 3.17Å; G538-I555 PolarHBondContact O-N 2.81Å; S539-I555 VanDerWaalsContact O-CD1 3.3Å; S539-I555 WeakPolarHBondContact O-CD1 3.46Å; L540-I555 HydrophobicContact CB-CG2 3.71Å; L540-I555 HydrophobicContact CD1-CG2 4.43Å; I555-G570 VanDerWaalsContact CA-O 3.28Å; I555-G570 WeakPolarHBondContact CA-O 3.47Å; I555-G570 WeakPolarHBondContact CB-O 3.38Å; I555-I571 HydrophobicContact CG2-CB 4.46Å; I555-I571 HydrophobicContact CG2-CG1 4.15Å; I555-I571 HydrophobicContact CG2-CG2 4.43Å; I555-I660 HydrophobicContact CD1-CG1 4.06Å; I555-I660 HydrophobicContact CD1-CG2 4.06Å; I555-I660 WeakPolarHBondContact CD1-O 3.13Å; I555-I660 HydrophobicContact CG1-CG2 4.18Å; I555-L662 HydrophobicContact CD1-CB 3.98Å; I555-L662 HydrophobicContact CD1-CD1 3.66Å; I555-L662 HydrophobicContact CD1-CG 3.44Å; I555-L662 VanDerWaalsContact CD1-CG 3.44Å; I555-L662 HydrophobicContact CG2-CD1 4.36Å |
| 556 | Y | 93.7 | Very high | 79.7 | Confident | 31 Ų | 31 | 60.4 Ų | 60.4 | 12% | 0.122 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 156.9 | 177.1 | 78 | -78.5 | 0 | 0 | 0 | 111.9 | F536 D558 S568 S569 G570 R572 F780 | F536-Y556 CarbonylContact O-C 3.58Å; F536-Y556 VanDerWaalsContact O-CA 3.27Å; F536-Y556 WeakPolarHBondContact O-CA 3.12Å; Y556-D558 WeakPolarHBondContact CD2-OD2 3.08Å; Y556-S568 PolarHBondContact OH-OG 2.04Å; Y556-S569 VanDerWaalsContact O-CA 3.23Å; Y556-S569 WeakPolarHBondContact O-CA 3.16Å; Y556-S569 VanDerWaalsContact O-CB 3.25Å; Y556-S569 WeakPolarHBondContact O-CB 3.36Å; Y556-G570 PolarHBondContact N-O 2.89Å; Y556-G570 VanDerWaalsContact N-O 3.07Å; Y556-G570 PolarHBondContact O-N 3.42Å; Y556-R572 HydrophobicContact CD1-CG 4.1Å; Y556-R572 HydrophobicContact CE1-CG 4.33Å; Y556-F780 WeakPolarHBondContact OH-CB 2.93Å |
| 557 | L | 94.6 | Very high | 80.3 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 114.2 | 170.2 | 163.6 | 69.3 | 0 | 0 | 0 | 108 | F536 I559 S568 L594 N595 L645 I660 | F536-L557 HydrophobicContact CB-CB 4.2Å; F536-L557 HydrophobicContact CD2-CB 4.41Å; F536-L557 HydrophobicContact CD2-CD2 3.92Å; F536-L557 HydrophobicContact CD2-CG 4.05Å; F536-L557 HydrophobicContact CE2-CD2 4.41Å; F536-L557 HydrophobicContact CG-CD2 4.44Å; F536-L557 PolarHBondContact N-O 2.86Å; F536-L557 PolarHBondContact O-N 3.15Å; L557-I559 HydrophobicContact CD1-CD1 4.04Å; L557-I559 HydrophobicContact CD1-CG1 3.76Å; L557-I559 HydrophobicContact CD2-CD1 4.27Å; L557-I559 HydrophobicContact CG-CD1 4.23Å; L557-I559 HydrophobicContact CG-CG1 4.11Å; L557-S568 CarbonylContact C-O 3.55Å; L557-L594 HydrophobicContact CD1-CB 4.26Å; L557-L594 HydrophobicContact CD2-CB 4.2Å; L557-N595 WeakPolarHBondContact CD1-OD1 3.35Å; L557-L645 HydrophobicContact CD2-CD2 3.87Å; L557-I660 HydrophobicContact CD2-CD1 4.47Å |
| 558 | D | 91 | Very high | 81 | Confident | 43 Ų | 43 | 53.7 Ų | 53.7 | 23% | 0.23 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 121.1 | 176.4 | -72.1 | -50.6 | 0 | 0 | 0 | 109.2 | F534 S535 Y556 S567 S568 | F534-D558 CarbonylContact O-C 3.48Å; F534-D558 WeakPolarHBondContact O-CA 3.36Å; S535-D558 WeakPolarHBondContact CB-OD1 3.5Å; S535-D558 PolarHBondContact OG-OD1 3.45Å; Y556-D558 WeakPolarHBondContact CD2-OD2 3.08Å; D558-S567 CarbonylContact O-C 3.52Å; D558-S567 WeakPolarHBondContact O-CA 3.47Å; D558-S568 PolarHBondContact N-O 2.95Å; D558-S568 PolarHBondContact O-N 2.8Å; D558-S568 VanDerWaalsContact O-O 3.14Å |
| 559 | I | 89.9 | Confident | 81.9 | Confident | 4 Ų | 4 | 48.7 Ų | 48.7 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 125.2 | 179.8 | -55.3 | 175.4 | 0 | 0 | 0 | 108.9 | K533 F534 L557 M597 I598 | K533-I559 CarbonylContact C-O 3.48Å; K533-I559 WeakPolarHBondContact CA-O 3.31Å; F534-I559 HydrophobicContact CB-CB 4.36Å; F534-I559 PolarHBondContact N-O 2.83Å; F534-I559 PolarHBondContact O-N 3.43Å; L557-I559 HydrophobicContact CD1-CD1 4.04Å; L557-I559 HydrophobicContact CD1-CG1 3.76Å; L557-I559 HydrophobicContact CD2-CD1 4.27Å; L557-I559 HydrophobicContact CG-CD1 4.23Å; L557-I559 HydrophobicContact CG-CG1 4.11Å; I559-M597 HydrophobicContact CD1-CB 4Å; I559-I598 HydrophobicContact CD1-CD1 4.17Å; I559-I598 HydrophobicContact CD1-CG1 4.09Å; I559-I598 HydrophobicContact CG2-CB 4.14Å; I559-I598 HydrophobicContact CG2-CD1 4.22Å; I559-I598 HydrophobicContact CG2-CG1 4.45Å |
| 560 | Q | 85.5 | Confident | 83.1 | Confident | 77 Ų | 77 | 47.5 Ų | 47.5 | 36% | 0.36 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 130.6 | 167.3 | -168.8 | 174.8 | -11 | 0 | 0 | 109.4 | H532 L564 R566 | H532-Q560 WeakPolarHBondContact O-CA 3.44Å; Q560-L564 CarbonylContact C-O 3.56Å; Q560-R566 WeakPolarHBondContact CA-O 3.03Å; Q560-R566 WeakPolarHBondContact CB-O 3.28Å; Q560-R566 PolarHBondContact N-O 2.88Å; Q560-R566 PolarHBondContact O-N 3.2Å |
| 561 | H | 82.2 | Confident | 84.4 | Confident | 3 Ų | 3 | 41.9 Ų | 41.9 | 1% | 0.014 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 150.6 | -176.8 | -167.8 | 100 | 0 | 0 | 0 | 109.3 | F518 D531 H532 I598 S600 | F518-H561 AromaticContact CE1-CD2 3.67Å; F518-H561 AromaticContact CE1-NE2 3.74Å; D531-H561 CarbonylContact C-O 3.34Å; D531-H561 VanDerWaalsContact CA-O 3.3Å; D531-H561 WeakPolarHBondContact CA-O 3.32Å; H532-H561 PolarHBondContact N-O 2.8Å; H532-H561 PolarHBondContact O-N 2.88Å; H561-I598 HydrophobicContact CB-CG2 4.44Å; H561-I598 PolarHBondContact ND1-O 3.33Å; H561-S600 PolarHBondContact CE1-OG 2.96Å |
| 562 | G | 77.9 | Confident | 85 | Confident | 4 Ų | 4 | 44.2 Ų | 44.2 | 4% | 0.041 | 22% | 0.217 | C | C | . | . | S | Bend | trans | 125.1 | -124.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | N530 R565 | N530-G562 WeakPolarHBondContact O-CA 3.33Å; G562-R565 WeakPolarHBondContact O-CG 3.02Å; G562-R565 PolarHBondContact O-NE 2.81Å |
| 563 | S | 67.7 | Low | 84.9 | Confident | 96 Ų | 96 | 42.3 Ų | 42.3 | 67% | 0.671 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -70 | -34.7 | 176.5 | 75.7 | 0 | 0 | 0 | 0 | 112 | D531 | D531-S563 PolarHBondContact OD1-N 2.84Å; D531-S563 PolarHBondContact OD1-OG 2.9Å; D531-S563 WeakPolarHBondContact OD2-CB 3.25Å; D531-S563 PolarHBondContact OD2-OG 3.4Å |
| 564 | L | 63.1 | Low | 84.7 | Confident | 90 Ų | 90 | 41.5 Ų | 41.5 | 47% | 0.471 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -112.6 | 111.4 | 169.4 | -171 | 70 | 0 | 0 | 0 | 110 | D531 Q560 | D531-L564 PolarHBondContact OD1-N 3.21Å; Q560-L564 CarbonylContact C-O 3.56Å |
| 565 | R | 75.8 | Confident | 84.3 | Confident | 71 Ų | 71 | 38 Ų | 38 | 27% | 0.268 | 19% | 0.19 | S | C | . | . | trans | -98.6 | 96.1 | -178.5 | -59.6 | 173.1 | -175.1 | 179.1 | 1.3 | 108.9 | G562 S600 E603 E784 | G562-R565 WeakPolarHBondContact O-CG 3.02Å; G562-R565 PolarHBondContact O-NE 2.81Å; R565-S600 WeakPolarHBondContact CD-OG 3.03Å; R565-E603 IonicContact NH1-OE1 3.02Å; R565-E603 IonicContact NH2-OE1 3.54Å; R565-E603 PolarHBondContact NH2-OE1 3.02Å; R565-E784 HydrophobicContact CB-CG 4.14Å; R565-E784 WeakPolarHBondContact O-CB 3.39Å; R565-E784 WeakPolarHBondContact O-CG 3.34Å | ||
| 566 | R | 81.2 | Confident | 83.3 | Confident | 136 Ų | 136 | 40.3 Ų | 40.3 | 51% | 0.513 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 129.5 | -177.5 | -173.8 | 177.1 | 178.2 | -176.2 | -1.9 | 111.6 | Q560 V782 | Q560-R566 WeakPolarHBondContact CA-O 3.03Å; Q560-R566 WeakPolarHBondContact CB-O 3.28Å; Q560-R566 PolarHBondContact N-O 2.88Å; Q560-R566 PolarHBondContact O-N 3.2Å; R566-V782 HydrophobicContact CG-CG1 4.22Å; R566-V782 VanDerWaalsContact NE-CG1 3.33Å |
| 567 | S | 86.6 | Confident | 82.4 | Confident | 3 Ų | 3 | 45.9 Ų | 45.9 | 2% | 0.021 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 151.8 | 173.6 | 40.2 | 0 | 0 | 0 | 0 | 112.1 | D558 N595 V782 D783 | D558-S567 CarbonylContact O-C 3.52Å; D558-S567 WeakPolarHBondContact O-CA 3.47Å; S567-N595 WeakPolarHBondContact CB-O 3.02Å; S567-N595 WeakPolarHBondContact OG-CB 3.18Å; S567-N595 PolarHBondContact OG-O 2.8Å; S567-V782 WeakPolarHBondContact O-CA 3.34Å; S567-D783 PolarHBondContact N-O 2.71Å; S567-D783 PolarHBondContact O-N 3.3Å |
| 568 | S | 90.5 | Very high | 81.8 | Confident | 27 Ų | 27 | 48 Ų | 48 | 19% | 0.189 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 135.7 | 176 | -176.7 | 0 | 0 | 0 | 0 | 110.7 | Y556 L557 D558 C781 | Y556-S568 PolarHBondContact OH-OG 2.04Å; L557-S568 CarbonylContact C-O 3.55Å; D558-S568 PolarHBondContact N-O 2.95Å; D558-S568 PolarHBondContact O-N 2.8Å; D558-S568 VanDerWaalsContact O-O 3.14Å; S568-C781 WeakPolarHBondContact CA-O 3.31Å; S568-C781 PolarHBondContact OG-O 2.03Å |
| 569 | S | 92.7 | Very high | 81.5 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 164.9 | 173.6 | 54.1 | 0 | 0 | 0 | 0 | 110.8 | Y556 F591 N595 F780 C781 | Y556-S569 VanDerWaalsContact O-CA 3.23Å; Y556-S569 WeakPolarHBondContact O-CA 3.16Å; Y556-S569 VanDerWaalsContact O-CB 3.25Å; Y556-S569 WeakPolarHBondContact O-CB 3.36Å; S569-F591 WeakPolarHBondContact OG-CB 3.32Å; S569-F591 PolarHBondContact OG-O 2.79Å; S569-N595 VanDerWaalsContact CB-OD1 3.23Å; S569-N595 WeakPolarHBondContact CB-OD1 3.42Å; S569-N595 PolarHBondContact N-OD1 2.93Å; S569-N595 VanDerWaalsContact N-OD1 3.14Å; S569-N595 VanDerWaalsContact OG-CG 3.3Å; S569-N595 PolarHBondContact OG-OD1 2.9Å; S569-F780 CarbonylContact O-C 3.57Å; S569-F780 WeakPolarHBondContact O-CA 3.25Å; S569-C781 PolarHBondContact N-O 3.46Å; S569-C781 PolarHBondContact O-N 2.81Å |
| 570 | G | 91.5 | Very high | 81.3 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 172.9 | -176.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | I555 Y556 L779 | I555-G570 VanDerWaalsContact CA-O 3.28Å; I555-G570 WeakPolarHBondContact CA-O 3.47Å; I555-G570 WeakPolarHBondContact CB-O 3.38Å; Y556-G570 PolarHBondContact N-O 2.89Å; Y556-G570 VanDerWaalsContact N-O 3.07Å; Y556-G570 PolarHBondContact O-N 3.42Å; G570-L779 CarbonylContact C-O 3.55Å; G570-L779 WeakPolarHBondContact CA-O 3.36Å |
| 571 | I | 90.5 | Very high | 81.3 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 137.4 | 176.8 | -49.1 | 177.6 | 0 | 0 | 0 | 108.1 | L540 L553 H554 I555 Y581 I584 F591 N778 L779 | L540-I571 HydrophobicContact CD1-CD1 3.98Å; L540-I571 HydrophobicContact CD1-CG1 4.46Å; L553-I571 HydrophobicContact CB-CG2 3.77Å; L553-I571 HydrophobicContact CD1-CG2 3.97Å; L553-I571 HydrophobicContact CG-CG2 4.39Å; H554-I571 CarbonylContact O-C 3.59Å; H554-I571 WeakPolarHBondContact O-CA 3.24Å; I555-I571 HydrophobicContact CG2-CB 4.46Å; I555-I571 HydrophobicContact CG2-CG1 4.15Å; I555-I571 HydrophobicContact CG2-CG2 4.43Å; I571-Y581 HydrophobicContact CD1-CE2 4.38Å; I571-Y581 HydrophobicContact CG2-CE2 4.24Å; I571-I584 HydrophobicContact CD1-CG2 3.35Å; I571-F591 HydrophobicContact CD1-CE2 4.06Å; I571-F591 HydrophobicContact CD1-CZ 3.88Å; I571-F591 HydrophobicContact CG1-CE1 4.34Å; I571-F591 HydrophobicContact CG1-CE2 3.93Å; I571-F591 HydrophobicContact CG1-CZ 3.42Å; I571-F591 VanDerWaalsContact CG1-CZ 3.42Å; I571-N778 CarbonylContact O-C 3.58Å; I571-N778 WeakPolarHBondContact O-CA 3.4Å; I571-L779 HydrophobicContact CB-CB 4.34Å; I571-L779 HydrophobicContact CD1-CD2 4.09Å; I571-L779 HydrophobicContact CG1-CD2 4.46Å; I571-L779 PolarHBondContact N-O 3.05Å; I571-L779 PolarHBondContact O-N 2.77Å |
| 572 | R | 83.5 | Confident | 81.4 | Confident | 118 Ų | 118 | 48.6 Ų | 48.6 | 45% | 0.445 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 141.7 | 172.5 | -58 | -176.2 | -172.5 | -165.8 | 3.9 | 110.5 | H554 Y556 N778 | H554-R572 HydrophobicContact CB-CB 4.15Å; H554-R572 PolarHBondContact N-O 2.75Å; H554-R572 PolarHBondContact O-N 3.03Å; Y556-R572 HydrophobicContact CD1-CG 4.1Å; Y556-R572 HydrophobicContact CE1-CG 4.33Å; R572-N778 VanDerWaalsContact CA-OD1 3.24Å; R572-N778 WeakPolarHBondContact CA-OD1 3.48Å; R572-N778 WeakPolarHBondContact CB-OD1 3.38Å |
| 573 | G | 77.9 | Confident | 81.9 | Confident | 31 Ų | 31 | 48.4 Ų | 48.4 | 32% | 0.32 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 82.2 | 20.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | S776 C777 N778 | G573-S776 VanDerWaalsContact C-CB 3.49Å; G573-C777 PolarHBondContact N-O 3.1Å; G573-N778 PolarHBondContact N-OD1 3.26Å |
| 574 | G | 80.5 | Confident | 82.9 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 130.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | S776 C777 | G574-S776 CarbonylContact O-C 3.59Å; G574-S776 VanDerWaalsContact O-CA 3.27Å; G574-S776 WeakPolarHBondContact O-CA 3.27Å; G574-C777 PolarHBondContact N-O 2.62Å; G574-C777 WeakPolarHBondContact O-CB 3.31Å; G574-C777 PolarHBondContact O-N 2.9Å |
| 575 | Q | 80.9 | Confident | 84 | Confident | 59 Ų | 59 | 40.4 Ų | 40.4 | 28% | 0.276 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 124.2 | -174.1 | -76.1 | -78.4 | -24.6 | 0 | 0 | 111.7 | N577 D578 Y581 D774 | Q575-N577 PolarHBondContact O-N 2.87Å; Q575-N577 VanDerWaalsContact O-N 3.15Å; Q575-D578 HydrophobicContact CB-CB 4.13Å; Q575-D578 WeakPolarHBondContact O-CB 3.13Å; Q575-D578 PolarHBondContact O-N 2.04Å; Q575-Y581 WeakPolarHBondContact O-CD1 3.06Å; Q575-D774 PolarHBondContact NE2-O 3.34Å; Q575-D774 PolarHBondContact NE2-OD2 3.21Å; Q575-D774 PolarHBondContact OE1-O 2.86Å |
| 576 | T | 71.4 | Confident | 84.6 | Confident | 54 Ų | 54 | 37.1 Ų | 37.1 | 33% | 0.331 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -32 | 180 | 47.6 | 0 | 0 | 0 | 0 | 114.4 | D578 S582 C777 | T576-D578 VanDerWaalsContact C-N 3.29Å; T576-S582 PolarHBondContact O-OG 3.33Å; T576-C777 WeakPolarHBondContact CG2-SG 3.48Å |
| 577 | N | 75 | Confident | 85.1 | Confident | 147 Ų | 147 | 30.6 Ų | 30.6 | 79% | 0.786 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -8.7 | 179.2 | -60.6 | -36.1 | 0 | 0 | 0 | 113.1 | Q575 | Q575-N577 PolarHBondContact O-N 2.87Å; Q575-N577 VanDerWaalsContact O-N 3.15Å |
| 578 | D | 81.9 | Confident | 85.3 | Confident | 44 Ų | 44 | 30.7 Ų | 30.7 | 24% | 0.235 | 16% | 0.156 | C | C | . | . | trans | -84.9 | 114.2 | 174.9 | -174.5 | 2.7 | 0 | 0 | 0 | 109.5 | Q575 T576 I580 Y581 S582 | Q575-D578 HydrophobicContact CB-CB 4.13Å; Q575-D578 WeakPolarHBondContact O-CB 3.13Å; Q575-D578 PolarHBondContact O-N 2.04Å; T576-D578 VanDerWaalsContact C-N 3.29Å; D578-I580 PolarHBondContact O-N 3.44Å; D578-I580 VanDerWaalsContact OD1-CB 3.3Å; D578-I580 WeakPolarHBondContact OD1-CB 3.32Å; D578-I580 PolarHBondContact OD1-N 3.45Å; D578-Y581 PolarHBondContact O-N 3.34Å; D578-Y581 VanDerWaalsContact O-N 3.11Å; D578-S582 PolarHBondContact O-N 2.96Å; D578-S582 PolarHBondContact O-OG 2.79Å; D578-S582 VanDerWaalsContact O-OG 3.14Å | ||
| 579 | R | 85 | Confident | 85.3 | Confident | 116 Ų | 116 | 29.4 Ų | 29.4 | 44% | 0.438 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -59.1 | -30.4 | 175.5 | -64.8 | 176.4 | 165.9 | -170.5 | -17 | 112.3 | T583 L672 D674 | R579-T583 WeakPolarHBondContact O-CB 3.45Å; R579-T583 PolarHBondContact O-N 3.32Å; R579-T583 PolarHBondContact O-OG1 3.47Å; R579-L672 HydrophobicContact CB-CB 3.73Å; R579-L672 HydrophobicContact CB-CD1 3.84Å; R579-L672 HydrophobicContact CB-CG 4.48Å; R579-D674 IonicContact CZ-OD1 2.75Å; R579-D674 IonicContact CZ-OD2 3.52Å; R579-D674 IonicContact NE-OD1 2.7Å; R579-D674 PolarHBondContact NE-OD1 3.49Å; R579-D674 IonicContact NE-OD2 3.25Å; R579-D674 VanDerWaalsContact NH2-CG 3.3Å; R579-D674 IonicContact NH2-OD1 2.77Å; R579-D674 PolarHBondContact NH2-OD1 3.35Å; R579-D674 IonicContact NH2-OD2 2.72Å; R579-D674 PolarHBondContact NH2-OD2 2.79Å |
| 580 | I | 85.1 | Confident | 85.4 | Confident | 11 Ų | 11 | 29.4 Ų | 29.4 | 6% | 0.056 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.6 | -48.3 | 175.8 | -66.8 | 177.1 | 0 | 0 | 0 | 108.8 | A542 F544 H548 D578 T583 I584 L672 | A542-I580 HydrophobicContact CB-CG2 3.57Å; F544-I580 HydrophobicContact CE2-CG2 4.17Å; H548-I580 VanDerWaalsContact C-CD1 3.42Å; D578-I580 PolarHBondContact O-N 3.44Å; D578-I580 VanDerWaalsContact OD1-CB 3.3Å; D578-I580 WeakPolarHBondContact OD1-CB 3.32Å; D578-I580 PolarHBondContact OD1-N 3.45Å; I580-T583 PolarHBondContact O-N 2.84Å; I580-I584 HydrophobicContact CG2-CD1 3.58Å; I580-I584 HydrophobicContact CG2-CG1 4.43Å; I580-I584 WeakPolarHBondContact O-CB 3.29Å; I580-I584 WeakPolarHBondContact O-CD1 3.43Å; I580-I584 WeakPolarHBondContact O-CG1 3.26Å; I580-I584 PolarHBondContact O-N 2.69Å; I580-L672 HydrophobicContact CB-CD1 4.46Å; I580-L672 HydrophobicContact CG1-CD1 3.52Å |
| 581 | Y | 86.3 | Confident | 85.5 | Confident | 1 Ų | 1 | 29.5 Ų | 29.5 | 0% | 0.004 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.4 | -44.2 | 175 | -179.3 | -113 | 0 | 0 | 0 | 112.7 | L553 I571 Q575 D578 T583 I584 R585 C777 | L553-Y581 HydrophobicContact CD1-CD2 3.89Å; I571-Y581 HydrophobicContact CD1-CE2 4.38Å; I571-Y581 HydrophobicContact CG2-CE2 4.24Å; Q575-Y581 WeakPolarHBondContact O-CD1 3.06Å; D578-Y581 PolarHBondContact O-N 3.34Å; D578-Y581 VanDerWaalsContact O-N 3.11Å; Y581-T583 PolarHBondContact O-N 3.34Å; Y581-I584 PolarHBondContact O-N 2.95Å; Y581-I584 VanDerWaalsContact O-N 3.11Å; Y581-R585 HydrophobicContact CE1-CG 4.35Å; Y581-R585 PolarHBondContact O-N 2.86Å; Y581-C777 HydrophobicContact CE1-CB 3.82Å; Y581-C777 WeakPolarHBondContact OH-CB 3.45Å |
| 582 | S | 84.7 | Confident | 85.6 | Confident | 12 Ų | 12 | 29.6 Ų | 29.6 | 8% | 0.084 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58.3 | -35 | 176.9 | -60.6 | 0 | 0 | 0 | 0 | 112.7 | T576 D578 L673 | T576-S582 PolarHBondContact O-OG 3.33Å; D578-S582 PolarHBondContact O-N 2.96Å; D578-S582 PolarHBondContact O-OG 2.79Å; D578-S582 VanDerWaalsContact O-OG 3.14Å; S582-L673 WeakPolarHBondContact CB-O 3.41Å |
| 583 | T | 88.4 | Confident | 86 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -78.2 | -39.6 | 174.8 | -52.4 | 0 | 0 | 0 | 0 | 111.8 | R579 I580 Y581 R585 L586 V636 L672 L673 | R579-T583 WeakPolarHBondContact O-CB 3.45Å; R579-T583 PolarHBondContact O-N 3.32Å; R579-T583 PolarHBondContact O-OG1 3.47Å; I580-T583 PolarHBondContact O-N 2.84Å; Y581-T583 PolarHBondContact O-N 3.34Å; T583-R585 PolarHBondContact O-N 3.02Å; T583-L586 PolarHBondContact O-N 3.42Å; T583-V636 HydrophobicContact CG2-CG1 3.67Å; T583-L672 HydrophobicContact CG2-CD2 4.02Å; T583-L672 WeakPolarHBondContact OG1-CA 3.01Å; T583-L672 WeakPolarHBondContact OG1-CB 3.29Å; T583-L673 PolarHBondContact OG1-N 2.83Å |
| 584 | I | 88.3 | Confident | 86.8 | Confident | 3 Ų | 3 | 22.9 Ų | 22.9 | 2% | 0.015 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -60.2 | -29.1 | 175.2 | -76 | 164 | 0 | 0 | 0 | 111.8 | L540 A542 L553 I571 I580 Y581 L586 I587 | L540-I584 HydrophobicContact CD1-CG2 4.16Å; L540-I584 HydrophobicContact CD2-CD1 3.73Å; A542-I584 HydrophobicContact CB-CD1 3.95Å; L553-I584 HydrophobicContact CD1-CD1 4.37Å; I571-I584 HydrophobicContact CD1-CG2 3.35Å; I580-I584 HydrophobicContact CG2-CD1 3.58Å; I580-I584 HydrophobicContact CG2-CG1 4.43Å; I580-I584 WeakPolarHBondContact O-CB 3.29Å; I580-I584 WeakPolarHBondContact O-CD1 3.43Å; I580-I584 WeakPolarHBondContact O-CG1 3.26Å; I580-I584 PolarHBondContact O-N 2.69Å; Y581-I584 PolarHBondContact O-N 2.95Å; Y581-I584 VanDerWaalsContact O-N 3.11Å; I584-L586 PolarHBondContact O-N 3.08Å; I584-I587 HydrophobicContact CG2-CD1 3.93Å; I584-I587 HydrophobicContact CG2-CG1 4.29Å; I584-I587 WeakPolarHBondContact O-CB 3.37Å; I584-I587 WeakPolarHBondContact O-CG1 3.44Å; I584-I587 VanDerWaalsContact O-CG2 3.3Å; I584-I587 WeakPolarHBondContact O-CG2 3.37Å; I584-I587 PolarHBondContact O-N 3.12Å |
| 585 | R | 86.8 | Confident | 87.4 | Confident | 16 Ų | 16 | 22.9 Ų | 22.9 | 6% | 0.06 | 11% | 0.113 | C | C | . | . | G | 310 helix | trans | -53.8 | -22.5 | 175.2 | -79.3 | 178 | 55 | 165.2 | -2.1 | 114.7 | Y581 T583 I587 S676 Y677 E715 E768 | Y581-R585 HydrophobicContact CE1-CG 4.35Å; Y581-R585 PolarHBondContact O-N 2.86Å; T583-R585 PolarHBondContact O-N 3.02Å; R585-I587 PolarHBondContact O-N 3.35Å; R585-S676 VanDerWaalsContact CZ-CB 3.4Å; R585-Y677 PolarHBondContact NH2-O 3.41Å; R585-E715 IonicContact CZ-OE2 2.87Å; R585-E715 IonicContact NH1-OE2 3.94Å; R585-E715 IonicContact NH2-OE2 3.72Å; R585-E715 PolarHBondContact NH2-OE2 2.9Å; R585-E768 IonicContact CZ-OE1 2.68Å; R585-E768 IonicContact CZ-OE2 3.35Å; R585-E768 IonicContact NE-OE2 2.74Å; R585-E768 PolarHBondContact NE-OE2 2.77Å; R585-E768 IonicContact NH1-OE1 2.67Å; R585-E768 PolarHBondContact NH1-OE1 3.48Å; R585-E768 IonicContact NH1-OE2 3.24Å; R585-E768 PolarHBondContact NH1-OE2 2.72Å; R585-E768 IonicContact NH2-OE1 3.89Å; R585-E768 IonicContact NH2-OE2 3.9Å |
| 586 | L | 88.7 | Confident | 87.9 | Confident | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | G | 310 helix | trans | -75.9 | -0.2 | 176.6 | -63 | -177.7 | 0 | 0 | 0 | 114.5 | T583 I584 T588 I633 L673 Y677 F712 V731 | T583-L586 PolarHBondContact O-N 3.42Å; I584-L586 PolarHBondContact O-N 3.08Å; L586-T588 VanDerWaalsContact C-N 3.33Å; L586-T588 PolarHBondContact O-N 2.96Å; L586-I633 HydrophobicContact CB-CD1 3.78Å; L586-I633 HydrophobicContact CD1-CD1 3.75Å; L586-I633 HydrophobicContact CD1-CG2 3.67Å; L586-I633 HydrophobicContact CG-CD1 4.44Å; L586-L673 HydrophobicContact CD1-CD1 3.57Å; L586-L673 HydrophobicContact CG-CD1 4.33Å; L586-Y677 HydrophobicContact CD2-CG 4.34Å; L586-F712 HydrophobicContact CD2-CB 3.92Å; L586-F712 HydrophobicContact CD2-CD1 3.33Å; L586-F712 HydrophobicContact CD2-CD2 4.09Å; L586-F712 HydrophobicContact CD2-CE1 3.75Å; L586-F712 HydrophobicContact CD2-CE2 4.44Å; L586-F712 HydrophobicContact CD2-CG 3.51Å; L586-F712 HydrophobicContact CD2-CZ 4.27Å; L586-F712 WeakPolarHBondContact O-CZ 3.48Å; L586-V731 HydrophobicContact CB-CG2 4.18Å; L586-V731 HydrophobicContact CD1-CG2 4.18Å; L586-V731 HydrophobicContact CD2-CG2 4.34Å; L586-V731 HydrophobicContact CG-CG2 4.49Å |
| 587 | I | 91.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.085 | C | C | . | . | G | 310 helix | trans | -91.8 | 15.6 | -176.2 | 83.3 | 174.9 | 0 | 0 | 0 | 113.4 | L540 I584 R585 P589 V590 F591 F631 F639 I641 | L540-I587 HydrophobicContact CD1-CD1 3.97Å; I584-I587 HydrophobicContact CG2-CD1 3.93Å; I584-I587 HydrophobicContact CG2-CG1 4.29Å; I584-I587 WeakPolarHBondContact O-CB 3.37Å; I584-I587 WeakPolarHBondContact O-CG1 3.44Å; I584-I587 VanDerWaalsContact O-CG2 3.3Å; I584-I587 WeakPolarHBondContact O-CG2 3.37Å; I584-I587 PolarHBondContact O-N 3.12Å; R585-I587 PolarHBondContact O-N 3.35Å; I587-P589 WeakPolarHBondContact O-CD 3.18Å; I587-V590 HydrophobicContact CB-CG2 4.07Å; I587-V590 HydrophobicContact CG1-CG2 4.45Å; I587-V590 VanDerWaalsContact O-CB 3.28Å; I587-V590 WeakPolarHBondContact O-CB 3.3Å; I587-V590 WeakPolarHBondContact O-CG2 3.25Å; I587-V590 PolarHBondContact O-N 2.88Å; I587-F591 HydrophobicContact CD1-CE2 4.12Å; I587-F591 HydrophobicContact CD1-CZ 4.27Å; I587-F591 HydrophobicContact CG1-CD2 4.45Å; I587-F591 HydrophobicContact CG1-CE2 3.76Å; I587-F591 HydrophobicContact CG1-CZ 4.41Å; I587-F631 HydrophobicContact CB-CZ 4.21Å; I587-F631 HydrophobicContact CG2-CZ 4.42Å; I587-F639 HydrophobicContact CG2-CE2 4.12Å; I587-F639 HydrophobicContact CG2-CZ 4.11Å; I587-I641 HydrophobicContact CB-CD1 3.94Å; I587-I641 HydrophobicContact CD1-CD1 3.5Å; I587-I641 VanDerWaalsContact CD1-CD1 3.5Å; I587-I641 HydrophobicContact CG1-CD1 4.29Å; I587-I641 HydrophobicContact CG2-CD1 3.55Å |
| 588 | T | 89.6 | Confident | 89.5 | Confident | 4 Ų | 4 | 11 Ų | 11 | 3% | 0.025 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -47.4 | -32.2 | 176.4 | 50.9 | 0 | 0 | 0 | 0 | 115 | L586 V590 F591 H592 E679 F712 C766 | L586-T588 VanDerWaalsContact C-N 3.33Å; L586-T588 PolarHBondContact O-N 2.96Å; T588-V590 PolarHBondContact O-N 2.85Å; T588-F591 PolarHBondContact O-N 3.23Å; T588-H592 PolarHBondContact O-CD2 2.74Å; T588-H592 PolarHBondContact O-N 2.69Å; T588-H592 VanDerWaalsContact O-N 3.08Å; T588-E679 VanDerWaalsContact CB-OE2 3.32Å; T588-E679 WeakPolarHBondContact CB-OE2 3.45Å; T588-E679 PolarHBondContact OG1-OE2 3.38Å; T588-F712 VanDerWaalsContact OG1-CZ 3.24Å; T588-F712 WeakPolarHBondContact OG1-CZ 3.17Å; T588-C766 WeakPolarHBondContact CB-SG 3.36Å; T588-C766 HydrophobicContact CG2-CB 3.62Å; T588-C766 WeakPolarHBondContact CG2-SG 3.26Å |
| 589 | P | 90.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -59 | -30.8 | 172 | -25.5 | 36.3 | 0 | 0 | 0 | 114.6 | I587 I593 Y692 V710 W733 | I587-P589 WeakPolarHBondContact O-CD 3.18Å; P589-I593 VanDerWaalsContact O-CG1 3.3Å; P589-I593 WeakPolarHBondContact O-CG1 3.42Å; P589-I593 PolarHBondContact O-N 2.83Å; P589-I593 VanDerWaalsContact O-N 3.08Å; P589-Y692 WeakPolarHBondContact CA-OH 3.3Å; P589-V710 HydrophobicContact CG-CB 4.5Å; P589-V710 HydrophobicContact CG-CG2 4.08Å; P589-W733 HydrophobicContact CB-CD2 3.96Å; P589-W733 HydrophobicContact CB-CG 4.08Å; P589-W733 HydrophobicContact CB-CZ2 4.23Å; P589-W733 HydrophobicContact CG-CG 4.35Å |
| 590 | V | 94.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 3.6 Ų | 3.6 | 0% | 0 | 2% | 0.019 | C | C | . | . | H | α-helix | trans | -60.7 | -48.2 | 173.2 | -179 | 0 | 0 | 0 | 0 | 109.9 | I587 T588 I593 L594 F629 F631 I641 L662 | I587-V590 HydrophobicContact CB-CG2 4.07Å; I587-V590 HydrophobicContact CG1-CG2 4.45Å; I587-V590 VanDerWaalsContact O-CB 3.28Å; I587-V590 WeakPolarHBondContact O-CB 3.3Å; I587-V590 WeakPolarHBondContact O-CG2 3.25Å; I587-V590 PolarHBondContact O-N 2.88Å; T588-V590 PolarHBondContact O-N 2.85Å; V590-I593 PolarHBondContact O-N 3.32Å; V590-L594 HydrophobicContact CG1-CD1 3.78Å; V590-L594 HydrophobicContact CG1-CG 4.23Å; V590-L594 WeakPolarHBondContact O-CB 3.25Å; V590-L594 WeakPolarHBondContact O-CG 3.23Å; V590-L594 PolarHBondContact O-N 3.18Å; V590-F629 HydrophobicContact CB-CZ 4.42Å; V590-F629 HydrophobicContact CG1-CD2 4.3Å; V590-F629 HydrophobicContact CG1-CE2 3.86Å; V590-F629 HydrophobicContact CG1-CZ 4.03Å; V590-F629 HydrophobicContact CG2-CD1 4.04Å; V590-F629 HydrophobicContact CG2-CD2 4.17Å; V590-F629 HydrophobicContact CG2-CE1 4.27Å; V590-F629 HydrophobicContact CG2-CE2 4.39Å; V590-F629 HydrophobicContact CG2-CG 4Å; V590-F629 HydrophobicContact CG2-CZ 4.44Å; V590-F631 HydrophobicContact CG2-CE2 3.76Å; V590-F631 HydrophobicContact CG2-CZ 3.76Å; V590-I641 HydrophobicContact CG2-CD1 4.34Å; V590-L662 HydrophobicContact CG1-CD2 4.48Å |
| 591 | F | 94.5 | Very high | 89 | Confident | 2 Ų | 2 | 4.9 Ų | 4.9 | 1% | 0.009 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -66.7 | -40.2 | -178.1 | -64.2 | -60.1 | 0 | 0 | 0 | 112.4 | S569 I571 I587 T588 I593 L594 N595 L662 L779 C781 | S569-F591 WeakPolarHBondContact OG-CB 3.32Å; S569-F591 PolarHBondContact OG-O 2.79Å; I571-F591 HydrophobicContact CD1-CE2 4.06Å; I571-F591 HydrophobicContact CD1-CZ 3.88Å; I571-F591 HydrophobicContact CG1-CE1 4.34Å; I571-F591 HydrophobicContact CG1-CE2 3.93Å; I571-F591 HydrophobicContact CG1-CZ 3.42Å; I571-F591 VanDerWaalsContact CG1-CZ 3.42Å; I587-F591 HydrophobicContact CD1-CE2 4.12Å; I587-F591 HydrophobicContact CD1-CZ 4.27Å; I587-F591 HydrophobicContact CG1-CD2 4.45Å; I587-F591 HydrophobicContact CG1-CE2 3.76Å; I587-F591 HydrophobicContact CG1-CZ 4.41Å; T588-F591 PolarHBondContact O-N 3.23Å; F591-I593 PolarHBondContact O-N 3.13Å; F591-L594 HydrophobicContact CD1-CD1 4.2Å; F591-L594 PolarHBondContact O-N 3.21Å; F591-N595 VanDerWaalsContact O-CB 3.26Å; F591-N595 WeakPolarHBondContact O-CB 3.44Å; F591-N595 VanDerWaalsContact O-CG 3.26Å; F591-N595 PolarHBondContact O-N 3.08Å; F591-L662 HydrophobicContact CE1-CD1 4.33Å; F591-L662 HydrophobicContact CZ-CD1 4.45Å; F591-L779 HydrophobicContact CD2-CD2 4.47Å; F591-L779 HydrophobicContact CE2-CD2 4.04Å; F591-C781 HydrophobicContact CB-CB 3.81Å; F591-C781 VanDerWaalsContact CB-SG 3.56Å |
| 592 | H | 91.7 | Very high | 88.4 | Confident | 3 Ų | 3 | 5.7 Ų | 5.7 | 1% | 0.014 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -62.1 | -38.8 | 173.4 | -70.6 | -53.2 | 0 | 0 | 0 | 113 | T588 S596 E679 Y692 L760 C766 D783 | T588-H592 PolarHBondContact O-CD2 2.74Å; T588-H592 PolarHBondContact O-N 2.69Å; T588-H592 VanDerWaalsContact O-N 3.08Å; H592-S596 WeakPolarHBondContact O-CB 3.45Å; H592-S596 PolarHBondContact O-N 2.78Å; H592-S596 PolarHBondContact O-OG 2.78Å; H592-E679 IonicContact CD2-OE2 2.72Å; H592-E679 IonicContact NE2-OE2 2.75Å; H592-Y692 HydrophobicContact CB-CD1 4.34Å; H592-Y692 HydrophobicContact CB-CE1 3.69Å; H592-Y692 AromaticContact CD2-CZ 3.73Å; H592-Y692 PolarHBondContact CD2-OH 3.47Å; H592-L760 HydrophobicContact CB-CD1 4.47Å; H592-C766 VanDerWaalsContact CE1-SG 3.58Å; H592-C766 PolarHBondContact NE2-SG 3.42Å; H592-D783 IonicContact CE1-OD1 2.71Å; H592-D783 PolarHBondContact CE1-OD1 3.28Å; H592-D783 VanDerWaalsContact CE1-OD1 3.3Å; H592-D783 IonicContact CE1-OD2 3.12Å; H592-D783 IonicContact CG-OD2 3.98Å; H592-D783 IonicContact ND1-OD1 3.85Å; H592-D783 PolarHBondContact ND1-OD1 2.85Å; H592-D783 IonicContact ND1-OD2 2.73Å; H592-D783 PolarHBondContact ND1-OD2 2.78Å |
| 593 | I | 93.1 | Very high | 87.4 | Confident | 4 Ų | 4 | 11.9 Ų | 11.9 | 2% | 0.021 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -70.8 | -39.7 | 174.8 | -65.4 | -55.9 | 0 | 0 | 0 | 112 | P589 V590 F591 S596 L614 F629 A693 F705 W733 I758 | P589-I593 VanDerWaalsContact O-CG1 3.3Å; P589-I593 WeakPolarHBondContact O-CG1 3.42Å; P589-I593 PolarHBondContact O-N 2.83Å; P589-I593 VanDerWaalsContact O-N 3.08Å; V590-I593 PolarHBondContact O-N 3.32Å; F591-I593 PolarHBondContact O-N 3.13Å; I593-S596 WeakPolarHBondContact O-CA 3.28Å; I593-S596 WeakPolarHBondContact O-CB 3.45Å; I593-S596 PolarHBondContact O-N 2.88Å; I593-S596 VanDerWaalsContact O-N 3.09Å; I593-L614 HydrophobicContact CG2-CD1 4.28Å; I593-F629 HydrophobicContact CB-CE1 4.13Å; I593-F629 HydrophobicContact CB-CZ 4.19Å; I593-F629 HydrophobicContact CG1-CE1 4.27Å; I593-F629 HydrophobicContact CG2-CE1 4.17Å; I593-F629 HydrophobicContact CG2-CZ 3.99Å; I593-A693 HydrophobicContact CD1-CB 3.58Å; I593-F705 HydrophobicContact CD1-CD1 4.19Å; I593-F705 HydrophobicContact CD1-CE1 3.7Å; I593-F705 HydrophobicContact CD1-CZ 4.46Å; I593-F705 HydrophobicContact CG1-CE1 4.42Å; I593-F705 HydrophobicContact CG2-CE1 4.24Å; I593-F705 HydrophobicContact CG2-CZ 3.95Å; I593-W733 HydrophobicContact CD1-CH2 4.01Å; I593-W733 HydrophobicContact CG1-CH2 3.85Å; I593-W733 HydrophobicContact CG1-CZ3 4.32Å; I593-I758 HydrophobicContact CD1-CD1 4.1Å |
| 594 | L | 94.3 | Very high | 85.8 | Confident | 3 Ų | 3 | 16.8 Ų | 16.8 | 2% | 0.016 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -63.9 | -42.4 | 175 | -70.8 | 172.3 | 0 | 0 | 0 | 112.1 | L557 V590 F591 S596 M597 L645 I660 | L557-L594 HydrophobicContact CD1-CB 4.26Å; L557-L594 HydrophobicContact CD2-CB 4.2Å; V590-L594 HydrophobicContact CG1-CD1 3.78Å; V590-L594 HydrophobicContact CG1-CG 4.23Å; V590-L594 WeakPolarHBondContact O-CB 3.25Å; V590-L594 WeakPolarHBondContact O-CG 3.23Å; V590-L594 PolarHBondContact O-N 3.18Å; F591-L594 HydrophobicContact CD1-CD1 4.2Å; F591-L594 PolarHBondContact O-N 3.21Å; L594-S596 PolarHBondContact O-N 3.06Å; L594-M597 WeakPolarHBondContact O-CB 3.46Å; L594-M597 WeakPolarHBondContact O-CG 3.39Å; L594-M597 PolarHBondContact O-N 3.05Å; L594-L645 HydrophobicContact CD2-CD1 3.77Å; L594-L645 HydrophobicContact CD2-CD2 4.03Å; L594-L645 HydrophobicContact CD2-CG 4.42Å; L594-I660 HydrophobicContact CD1-CD1 3.63Å; L594-I660 HydrophobicContact CD2-CD1 3.83Å; L594-I660 HydrophobicContact CG-CD1 4.34Å |
| 595 | N | 92.5 | Very high | 84.3 | Confident | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -60.1 | -27 | 172.6 | -80.1 | -7.7 | 0 | 0 | 0 | 112.1 | L557 S567 S569 F591 C781 D783 P785 | L557-N595 WeakPolarHBondContact CD1-OD1 3.35Å; S567-N595 WeakPolarHBondContact CB-O 3.02Å; S567-N595 WeakPolarHBondContact OG-CB 3.18Å; S567-N595 PolarHBondContact OG-O 2.8Å; S569-N595 VanDerWaalsContact CB-OD1 3.23Å; S569-N595 WeakPolarHBondContact CB-OD1 3.42Å; S569-N595 PolarHBondContact N-OD1 2.93Å; S569-N595 VanDerWaalsContact N-OD1 3.14Å; S569-N595 VanDerWaalsContact OG-CG 3.3Å; S569-N595 PolarHBondContact OG-OD1 2.9Å; F591-N595 VanDerWaalsContact O-CB 3.26Å; F591-N595 WeakPolarHBondContact O-CB 3.44Å; F591-N595 VanDerWaalsContact O-CG 3.26Å; F591-N595 PolarHBondContact O-N 3.08Å; N595-C781 PolarHBondContact ND2-O 3.11Å; N595-C781 VanDerWaalsContact ND2-O 3.13Å; N595-D783 HydrophobicContact CB-CB 4.05Å; N595-D783 WeakPolarHBondContact CB-OD2 3.18Å; N595-D783 PolarHBondContact ND2-OD2 2.73Å; N595-P785 WeakPolarHBondContact O-CG 3.43Å |
| 596 | S | 91.2 | Very high | 82.8 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 3.2 | 179.5 | -57.8 | 0 | 0 | 0 | 0 | 115.1 | H592 I593 L594 I598 S599 I758 P785 | H592-S596 WeakPolarHBondContact O-CB 3.45Å; H592-S596 PolarHBondContact O-N 2.78Å; H592-S596 PolarHBondContact O-OG 2.78Å; I593-S596 WeakPolarHBondContact O-CA 3.28Å; I593-S596 WeakPolarHBondContact O-CB 3.45Å; I593-S596 PolarHBondContact O-N 2.88Å; I593-S596 VanDerWaalsContact O-N 3.09Å; L594-S596 PolarHBondContact O-N 3.06Å; S596-I598 VanDerWaalsContact C-N 3.29Å; S596-I598 PolarHBondContact O-N 3.45Å; S596-S599 WeakPolarHBondContact O-CB 3.06Å; S596-S599 PolarHBondContact O-N 3.26Å; S596-S599 PolarHBondContact O-OG 3.04Å; S596-I758 WeakPolarHBondContact OG-CG2 3.47Å; S596-P785 WeakPolarHBondContact OG-CB 3.4Å |
| 597 | M | 90.7 | Very high | 81 | Confident | 5 Ų | 5 | 31.1 Ų | 31.1 | 3% | 0.025 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -40.3 | -178.2 | -77.6 | -66.1 | -66.3 | 0 | 0 | 113.5 | I559 L594 L614 F615 L621 F625 L645 | I559-M597 HydrophobicContact CD1-CB 4Å; L594-M597 WeakPolarHBondContact O-CB 3.46Å; L594-M597 WeakPolarHBondContact O-CG 3.39Å; L594-M597 PolarHBondContact O-N 3.05Å; M597-L614 HydrophobicContact CE-CB 4.3Å; M597-L614 PolarHBondContact O-N 3.43Å; M597-L614 HydrophobicContact SD-CB 3.67Å; M597-L614 HydrophobicContact SD-CD1 4.21Å; M597-F615 HydrophobicContact CE-CB 4.45Å; M597-F615 VanDerWaalsContact O-CB 3.24Å; M597-F615 WeakPolarHBondContact O-CB 3.36Å; M597-F615 PolarHBondContact O-N 2.92Å; M597-L621 HydrophobicContact CE-CD1 4.12Å; M597-L621 HydrophobicContact CE-CD2 3.81Å; M597-L621 HydrophobicContact CE-CG 4.3Å; M597-F625 HydrophobicContact CE-CD1 3.83Å; M597-F625 HydrophobicContact CE-CE1 3.85Å; M597-F625 HydrophobicContact SD-CD1 4.44Å; M597-F625 HydrophobicContact SD-CE1 4.03Å; M597-L645 HydrophobicContact CG-CD2 4.48Å |
| 598 | I | 89.2 | Confident | 79.3 | Confident | 6 Ų | 6 | 42.1 Ų | 42.1 | 3% | 0.031 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.9 | 55.8 | 178.4 | -44.1 | 174.5 | 0 | 0 | 0 | 109.4 | F518 F534 I559 H561 S596 F615 | F518-I598 HydrophobicContact CD2-CG2 3.74Å; F518-I598 HydrophobicContact CE1-CG2 4.18Å; F518-I598 HydrophobicContact CE2-CD1 4.25Å; F518-I598 HydrophobicContact CE2-CG2 3.33Å; F518-I598 HydrophobicContact CG-CG2 4.31Å; F518-I598 HydrophobicContact CZ-CG2 3.58Å; F534-I598 HydrophobicContact CB-CD1 4.27Å; F534-I598 HydrophobicContact CD1-CD1 3.92Å; F534-I598 HydrophobicContact CD2-CD1 3.33Å; F534-I598 HydrophobicContact CE1-CD1 4.06Å; F534-I598 HydrophobicContact CE2-CD1 3.51Å; F534-I598 HydrophobicContact CG-CD1 3.57Å; F534-I598 HydrophobicContact CZ-CD1 3.88Å; I559-I598 HydrophobicContact CD1-CD1 4.17Å; I559-I598 HydrophobicContact CD1-CG1 4.09Å; I559-I598 HydrophobicContact CG2-CB 4.14Å; I559-I598 HydrophobicContact CG2-CD1 4.22Å; I559-I598 HydrophobicContact CG2-CG1 4.45Å; H561-I598 HydrophobicContact CB-CG2 4.44Å; H561-I598 PolarHBondContact ND1-O 3.33Å; S596-I598 VanDerWaalsContact C-N 3.29Å; S596-I598 PolarHBondContact O-N 3.45Å; I598-F615 HydrophobicContact CD1-CD2 4.25Å; I598-F615 HydrophobicContact CD1-CG 4.35Å; I598-F615 HydrophobicContact CG1-CB 3.87Å; I598-F615 HydrophobicContact CG1-CD2 4.17Å; I598-F615 HydrophobicContact CG1-CG 3.96Å |
| 599 | S | 86.7 | Confident | 78.1 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.007 | 23% | 0.227 | C | C | . | . | P | Polyproline II helix | trans | -68.1 | 143.1 | 171.7 | 38 | 0 | 0 | 0 | 0 | 111.5 | S596 N613 P785 | S596-S599 WeakPolarHBondContact O-CB 3.06Å; S596-S599 PolarHBondContact O-N 3.26Å; S596-S599 PolarHBondContact O-OG 3.04Å; S599-N613 PolarHBondContact O-ND2 2.74Å; S599-P785 WeakPolarHBondContact CA-O 3.41Å; S599-P785 WeakPolarHBondContact CB-O 3.21Å |
| 600 | S | 79 | Confident | 77.2 | Confident | 4 Ų | 4 | 49.7 Ų | 49.7 | 3% | 0.028 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 141.5 | 175.4 | -60.5 | 0 | 0 | 0 | 0 | 111.1 | H561 R565 P785 L787 | H561-S600 PolarHBondContact CE1-OG 2.96Å; R565-S600 WeakPolarHBondContact CD-OG 3.03Å; S600-P785 PolarHBondContact N-O 2.79Å; S600-L787 PolarHBondContact O-N 3.4Å |
| 601 | P | 76.6 | Confident | 76.3 | Confident | 37 Ų | 37 | 51.4 Ų | 51.4 | 24% | 0.24 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 151.5 | 168.8 | 29.7 | -34.2 | 0 | 0 | 0 | 111.2 | E528 | E528-P601 WeakPolarHBondContact OE1-CD 3.5Å |
| 602 | C | 72.7 | Confident | 75.9 | Confident | 19 Ų | 19 | 52.3 Ų | 52.3 | 13% | 0.128 | 25% | 0.25 | C | S | . | . | P | Polyproline II helix | trans | -82.6 | 122.5 | 179.1 | -176.9 | 0 | 0 | 0 | 0 | 112.7 | I605 L787 L788 C797 | C602-I605 HydrophobicContact CB-CD1 4.46Å; C602-L787 PolarHBondContact N-O 2.88Å; C602-L788 HydrophobicContact CB-CD2 4.4Å; C602-L788 HydrophobicContact CB-CG 4.3Å; C602-C797 HydrophobicContact CB-CB 4.26Å; C602-C797 WeakPolarHBondContact CB-SG 3.33Å; C602-C797 WeakPolarHBondContact SG-CA 3.18Å; C602-C797 WeakPolarHBondContact SG-CB 3.39Å; C602-C797 CovalentContact SG-SG 2.02Å; C602-C797 PolarHBondContact SG-SG 3.24Å |
| 603 | E | 63.4 | Low | 75.7 | Confident | 142 Ų | 142 | 52.5 Ų | 52.5 | 66% | 0.664 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -30.5 | -173.7 | -67.6 | 168.9 | -147.3 | 0 | 0 | 114 | R565 I605 | R565-E603 IonicContact NH1-OE1 3.02Å; R565-E603 IonicContact NH2-OE1 3.54Å; R565-E603 PolarHBondContact NH2-OE1 3.02Å; E603-I605 VanDerWaalsContact C-N 3.3Å; E603-I605 PolarHBondContact O-N 3.04Å |
| 604 | N | 55.5 | Low | 75.6 | Confident | 102 Ų | 102 | 52.5 Ų | 52.5 | 55% | 0.545 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | 1.4 | -173.3 | -76.7 | -7.2 | 0 | 0 | 0 | 115.3 | T799 | N604-T799 WeakPolarHBondContact ND2-CG2 3.24Š|
| 605 | I | 56.7 | Low | 75.5 | Confident | 41 Ų | 41 | 52.4 Ų | 52.4 | 21% | 0.21 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -98.4 | 134.3 | 178.6 | -64.1 | -178 | 0 | 0 | 0 | 109.2 | C602 E603 K607 L788 D796 | C602-I605 HydrophobicContact CB-CD1 4.46Å; E603-I605 VanDerWaalsContact C-N 3.3Å; E603-I605 PolarHBondContact O-N 3.04Å; I605-K607 PolarHBondContact O-N 2.78Å; I605-L788 HydrophobicContact CD1-CB 4.45Å; I605-L788 HydrophobicContact CD1-CD2 3.64Å; I605-L788 HydrophobicContact CD1-CG 4.44Å; I605-D796 HydrophobicContact CD1-CB 4.29Å |
| 606 | P | 54.9 | Low | 75.4 | Confident | 103 Ų | 103 | 52.8 Ų | 52.8 | 67% | 0.669 | 25% | 0.253 | S | S | * | . | trans | -53.6 | 114.8 | 173.4 | -25.1 | 33.9 | 0 | 0 | 0 | 110.6 | R608 | P606-R608 PolarHBondContact O-N 2.85Š| ||
| 607 | K | 51.9 | Low | 75.3 | Confident | 178 Ų | 178 | 52.9 Ų | 52.9 | 77% | 0.774 | 25% | 0.254 | S | S | * | . | trans | -64.9 | 77.7 | 179.5 | -69.3 | -173.9 | 176.8 | -174.5 | 0 | 111.1 | I605 | I605-K607 PolarHBondContact O-N 2.78Š| ||
| 608 | R | 54.7 | Low | 75.2 | Confident | 230 Ų | 230 | 52.7 Ų | 52.7 | 87% | 0.868 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -80.3 | -34.6 | 170 | -69.4 | -173.8 | 176.5 | -175.4 | 0 | 111.4 | P606 | P606-R608 PolarHBondContact O-N 2.85Š|
| 609 | E | 64 | Low | 75.1 | Confident | 112 Ų | 112 | 54.3 Ų | 54.3 | 52% | 0.523 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -139.4 | 149.6 | -176 | -66.2 | -177.6 | -174.3 | 0 | 0 | 111.2 | ||
| 610 | R | 72.2 | Confident | 75.2 | Confident | 52 Ų | 52 | 54.3 Ų | 54.3 | 20% | 0.196 | 26% | 0.262 | C | S | . | . | trans | -84.4 | 128.9 | -179.8 | -174.8 | 170.2 | -174.1 | -154.1 | -13.5 | 110.2 | E501 C513 S514 D515 Y612 | E501-R610 IonicContact OE2-NH1 2.78Å; E501-R610 PolarHBondContact OE2-NH1 3.39Å; C513-R610 PolarHBondContact O-NH1 2.88Å; C513-R610 PolarHBondContact O-NH2 2.79Å; S514-R610 PolarHBondContact O-NH2 3.45Å; D515-R610 WeakPolarHBondContact OD1-CD 3.43Å; D515-R610 IonicContact OD1-CZ 3.83Å; D515-R610 IonicContact OD1-NE 2.78Å; D515-R610 PolarHBondContact OD1-NE 2.72Å; D515-R610 IonicContact OD1-NH2 2.66Å; R610-Y612 HydrophobicContact CB-CE2 4.39Å; R610-Y612 HydrophobicContact CG-CE1 4.29Å; R610-Y612 HydrophobicContact CG-CE2 4.21Å | ||
| 611 | V | 77.2 | Confident | 75.7 | Confident | 36 Ų | 36 | 54.1 Ų | 54.1 | 22% | 0.218 | 26% | 0.261 | C | S | . | . | trans | -105.4 | 130.7 | -174.2 | -156.2 | 0 | 0 | 0 | 0 | 110.1 | Y756 L787 A789 | V611-Y756 HydrophobicContact CG1-CD1 3.7Å; V611-Y756 HydrophobicContact CG1-CE1 3.95Å; V611-L787 HydrophobicContact CG1-CD2 3.67Å; V611-L787 HydrophobicContact CG1-CG 3.73Å; V611-A789 HydrophobicContact CG1-CB 4.41Å; V611-A789 HydrophobicContact CG2-CB 3.87Å | ||
| 612 | Y | 84.9 | Confident | 76 | Confident | 21 Ų | 21 | 55 Ų | 55 | 8% | 0.082 | 26% | 0.262 | C | S | . | . | trans | -113.3 | 121.6 | -175.7 | -60 | -85.8 | 0 | 0 | 0 | 111.1 | R610 T616 Y695 L743 I750 | R610-Y612 HydrophobicContact CB-CE2 4.39Å; R610-Y612 HydrophobicContact CG-CE1 4.29Å; R610-Y612 HydrophobicContact CG-CE2 4.21Å; Y612-T616 HydrophobicContact CD1-CG2 3.9Å; Y612-Y695 PolarHBondContact O-OH 2.86Å; Y612-L743 HydrophobicContact CD1-CD1 4.11Å; Y612-L743 HydrophobicContact CE1-CD1 4.31Å; Y612-I750 HydrophobicContact CD2-CD1 3.52Å; Y612-I750 HydrophobicContact CD2-CG1 3.87Å; Y612-I750 HydrophobicContact CE2-CD1 3.84Å; Y612-I750 HydrophobicContact CE2-CG1 3.71Å; Y612-I750 HydrophobicContact CG-CD1 4.08Å | ||
| 613 | N | 89.1 | Confident | 76.4 | Confident | 6 Ų | 6 | 61.1 Ų | 61.1 | 3% | 0.032 | 28% | 0.282 | C | S | . | . | trans | -69.2 | 160.3 | 174.5 | 63.2 | 26.6 | 0 | 0 | 0 | 112.6 | S599 F615 T616 L617 L787 | S599-N613 PolarHBondContact O-ND2 2.74Å; N613-F615 PolarHBondContact O-N 3.35Å; N613-T616 PolarHBondContact O-N 3.44Å; N613-T616 WeakPolarHBondContact OD1-CB 3.34Å; N613-T616 PolarHBondContact OD1-N 2.8Å; N613-T616 PolarHBondContact OD1-OG1 2.54Å; N613-L617 PolarHBondContact O-N 3.14Å; N613-L787 HydrophobicContact CB-CD2 4.11Å | ||
| 614 | L | 90.9 | Very high | 77.3 | Confident | 4 Ų | 4 | 57.3 Ų | 57.3 | 2% | 0.021 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.8 | -33.2 | -174.9 | -60.7 | 171.1 | 0 | 0 | 0 | 112.4 | I593 M597 L617 G618 Y695 I703 F705 | I593-L614 HydrophobicContact CG2-CD1 4.28Å; M597-L614 HydrophobicContact CE-CB 4.3Å; M597-L614 PolarHBondContact O-N 3.43Å; M597-L614 HydrophobicContact SD-CB 3.67Å; M597-L614 HydrophobicContact SD-CD1 4.21Å; L614-L617 PolarHBondContact O-N 2.9Å; L614-G618 PolarHBondContact O-N 2.67Å; L614-Y695 HydrophobicContact CD2-CD1 4.34Å; L614-Y695 HydrophobicContact CD2-CE1 4.04Å; L614-Y695 HydrophobicContact CD2-CE2 4.22Å; L614-I703 HydrophobicContact CD2-CG2 4.09Å; L614-F705 HydrophobicContact CD1-CZ 4Å; L614-F705 HydrophobicContact CD2-CZ 4.02Å |
| 615 | F | 92.1 | Very high | 79 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 0% | 0.004 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.3 | -41.4 | 174 | -177.8 | -98.1 | 0 | 0 | 0 | 112.6 | F518 W526 F534 M597 I598 N613 G618 N619 G620 L621 L647 | F518-F615 AromaticContact CD2-CD1 3.85Å; F518-F615 HydrophobicContact CD2-CD1 3.85Å; F518-F615 HydrophobicContact CD2-CE1 4.07Å; F518-F615 HydrophobicContact CE2-CD1 4.35Å; F518-F615 HydrophobicContact CE2-CE1 4.31Å; W526-F615 AromaticContact CE3-CE1 3.85Å; W526-F615 HydrophobicContact CE3-CE1 3.85Å; W526-F615 HydrophobicContact CE3-CZ 4.31Å; W526-F615 HydrophobicContact CH2-CE1 4.25Å; W526-F615 AromaticContact CH2-CZ 3.91Å; W526-F615 HydrophobicContact CH2-CZ 3.91Å; W526-F615 AromaticContact CZ3-CE1 3.55Å; W526-F615 HydrophobicContact CZ3-CE1 3.55Å; W526-F615 AromaticContact CZ3-CZ 3.69Å; W526-F615 HydrophobicContact CZ3-CZ 3.69Å; F534-F615 HydrophobicContact CD1-CE2 4.43Å; F534-F615 HydrophobicContact CD1-CZ 4.38Å; F534-F615 HydrophobicContact CE1-CE1 4.43Å; F534-F615 HydrophobicContact CE1-CE2 4.3Å; F534-F615 AromaticContact CE1-CZ 3.82Å; F534-F615 HydrophobicContact CE1-CZ 3.82Å; M597-F615 HydrophobicContact CE-CB 4.45Å; M597-F615 VanDerWaalsContact O-CB 3.24Å; M597-F615 WeakPolarHBondContact O-CB 3.36Å; M597-F615 PolarHBondContact O-N 2.92Å; I598-F615 HydrophobicContact CD1-CD2 4.25Å; I598-F615 HydrophobicContact CD1-CG 4.35Å; I598-F615 HydrophobicContact CG1-CB 3.87Å; I598-F615 HydrophobicContact CG1-CD2 4.17Å; I598-F615 HydrophobicContact CG1-CG 3.96Å; N613-F615 PolarHBondContact O-N 3.35Å; F615-G618 CarbonylContact O-C 3.34Å; F615-G618 PolarHBondContact O-N 2.81Å; F615-N619 PolarHBondContact O-N 2.87Å; F615-G620 WeakPolarHBondContact O-CA 3.47Å; F615-G620 PolarHBondContact O-N 3.03Å; F615-L621 HydrophobicContact CD2-CB 4.46Å; F615-L621 HydrophobicContact CD2-CD1 3.63Å; F615-L621 HydrophobicContact CD2-CG 3.63Å; F615-L621 HydrophobicContact CE2-CB 4.15Å; F615-L621 HydrophobicContact CE2-CD1 3.77Å; F615-L621 HydrophobicContact CE2-CG 3.78Å; F615-L647 HydrophobicContact CZ-CD2 4.21Å |
| 616 | T | 90.4 | Very high | 80.7 | Confident | 9 Ų | 9 | 55.4 Ų | 55.4 | 6% | 0.055 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -71.7 | -41 | 176.1 | -57.2 | 0 | 0 | 0 | 0 | 111.8 | G519 Y612 N613 G618 N619 L743 | G519-T616 PolarHBondContact N-OG1 2.85Å; Y612-T616 HydrophobicContact CD1-CG2 3.9Å; N613-T616 PolarHBondContact O-N 3.44Å; N613-T616 WeakPolarHBondContact OD1-CB 3.34Å; N613-T616 PolarHBondContact OD1-N 2.8Å; N613-T616 PolarHBondContact OD1-OG1 2.54Å; T616-G618 PolarHBondContact O-N 2.76Å; T616-N619 WeakPolarHBondContact O-CA 3.41Å; T616-N619 PolarHBondContact O-N 3.06Å; T616-L743 HydrophobicContact CG2-CD1 4.02Å |
| 617 | L | 89.4 | Confident | 82.6 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.3 | -32.1 | 172 | -63 | 174.9 | 0 | 0 | 0 | 112 | N613 L614 N619 Y695 I697 I703 S739 S741 L743 L744 I750 | N613-L617 PolarHBondContact O-N 3.14Å; L614-L617 PolarHBondContact O-N 2.9Å; L617-N619 PolarHBondContact O-N 3.14Å; L617-Y695 HydrophobicContact CD1-CE2 3.88Å; L617-I697 HydrophobicContact CD1-CD1 4.32Å; L617-I697 HydrophobicContact CD2-CD1 3.93Å; L617-I703 HydrophobicContact CB-CD1 3.73Å; L617-I703 HydrophobicContact CD1-CD1 4.08Å; L617-I703 HydrophobicContact CD1-CG1 4.48Å; L617-S739 PolarHBondContact O-OG 2.96Å; L617-S741 WeakPolarHBondContact O-CB 3.4Å; L617-S741 PolarHBondContact O-OG 3.22Å; L617-L743 HydrophobicContact CD2-CD1 4.42Å; L617-L744 HydrophobicContact CD2-CD2 4.3Å; L617-I750 HydrophobicContact CD2-CD1 3.49Å; L617-I750 VanDerWaalsContact CD2-CD1 3.49Å |
| 618 | G | 88.4 | Confident | 84.8 | Confident | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | 11.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 115 | L614 F615 T616 G620 L621 | L614-G618 PolarHBondContact O-N 2.67Å; F615-G618 CarbonylContact O-C 3.34Å; F615-G618 PolarHBondContact O-N 2.81Å; T616-G618 PolarHBondContact O-N 2.76Å; G618-G620 VanDerWaalsContact C-N 3.32Å; G618-G620 PolarHBondContact O-N 2.88Å; G618-L621 PolarHBondContact O-N 2.76Å; G618-L621 VanDerWaalsContact O-N 3.09Å |
| 619 | N | 87.2 | Confident | 86.8 | Confident | 41 Ų | 41 | 34.3 Ų | 34.3 | 22% | 0.219 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | 50.9 | 48.4 | -177 | -172.8 | 49.5 | 0 | 0 | 0 | 112.3 | A520 F615 T616 L617 L621 Q622 | A520-N619 WeakPolarHBondContact CB-O 3.08Å; F615-N619 PolarHBondContact O-N 2.87Å; T616-N619 WeakPolarHBondContact O-CA 3.41Å; T616-N619 PolarHBondContact O-N 3.06Å; L617-N619 PolarHBondContact O-N 3.14Å; N619-L621 PolarHBondContact O-N 3.05Å; N619-L621 VanDerWaalsContact O-N 3.14Å; N619-Q622 WeakPolarHBondContact O-CB 3.4Å; N619-Q622 VanDerWaalsContact O-CG 3.31Å; N619-Q622 WeakPolarHBondContact O-CG 3.12Å; N619-Q622 PolarHBondContact O-N 3.02Å |
| 620 | G | 88.2 | Confident | 88.4 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | 60 | 24.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | F615 G618 Q622 | F615-G620 WeakPolarHBondContact O-CA 3.47Å; F615-G620 PolarHBondContact O-N 3.03Å; G618-G620 VanDerWaalsContact C-N 3.32Å; G618-G620 PolarHBondContact O-N 2.88Å; G620-Q622 PolarHBondContact O-N 2.88Å; G620-Q622 VanDerWaalsContact O-N 3.1Å; G620-Q622 PolarHBondContact O-NE2 2.04Å |
| 621 | L | 89.8 | Confident | 89.5 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | 55.2 | 24.4 | -176.9 | -58.5 | -178.3 | 0 | 0 | 0 | 114.5 | F536 M597 F615 G618 N619 R623 F625 L645 L647 | F536-L621 HydrophobicContact CE1-CD1 3.74Å; F536-L621 HydrophobicContact CZ-CD1 3.65Å; M597-L621 HydrophobicContact CE-CD1 4.12Å; M597-L621 HydrophobicContact CE-CD2 3.81Å; M597-L621 HydrophobicContact CE-CG 4.3Å; F615-L621 HydrophobicContact CD2-CB 4.46Å; F615-L621 HydrophobicContact CD2-CD1 3.63Å; F615-L621 HydrophobicContact CD2-CG 3.63Å; F615-L621 HydrophobicContact CE2-CB 4.15Å; F615-L621 HydrophobicContact CE2-CD1 3.77Å; F615-L621 HydrophobicContact CE2-CG 3.78Å; G618-L621 PolarHBondContact O-N 2.76Å; G618-L621 VanDerWaalsContact O-N 3.09Å; N619-L621 PolarHBondContact O-N 3.05Å; N619-L621 VanDerWaalsContact O-N 3.14Å; L621-R623 PolarHBondContact O-N 3.32Å; L621-F625 HydrophobicContact CD2-CB 3.26Å; L621-F625 HydrophobicContact CD2-CD1 3.94Å; L621-F625 HydrophobicContact CD2-CG 3.76Å; L621-L645 HydrophobicContact CD1-CB 4.05Å; L621-L645 HydrophobicContact CD1-CD2 4.35Å; L621-L645 HydrophobicContact CD2-CB 4.14Å; L621-L647 HydrophobicContact CB-CB 3.85Å; L621-L647 PolarHBondContact O-N 3.31Å |
| 622 | Q | 82.2 | Confident | 90.3 | Very high | 56 Ų | 56 | 33 Ų | 33 | 26% | 0.262 | 16% | 0.157 | S | C | . | . | S | Bend | trans | -70 | -9.3 | 177.4 | -61.8 | -64.5 | -61.3 | 0 | 0 | 113.6 | A520 A523 N619 G620 F650 | A520-Q622 HydrophobicContact CB-CG 4.07Å; A523-Q622 HydrophobicContact CB-CG 3.75Å; N619-Q622 WeakPolarHBondContact O-CB 3.4Å; N619-Q622 VanDerWaalsContact O-CG 3.31Å; N619-Q622 WeakPolarHBondContact O-CG 3.12Å; N619-Q622 PolarHBondContact O-N 3.02Å; G620-Q622 PolarHBondContact O-N 2.88Å; G620-Q622 VanDerWaalsContact O-N 3.1Å; G620-Q622 PolarHBondContact O-NE2 2.04Å; Q622-F650 VanDerWaalsContact NE2-CE1 3.25Å |
| 623 | R | 81.1 | Confident | 90.6 | Very high | 146 Ų | 146 | 32 Ų | 32 | 55% | 0.551 | 15% | 0.154 | S | C | * | . | S | Bend | trans | -135.5 | 155.7 | 167.8 | -66.5 | -173.9 | -177.3 | -179.8 | 3.2 | 107.6 | L621 F625 E740 | L621-R623 PolarHBondContact O-N 3.32Å; R623-F625 PolarHBondContact O-N 3.38Å; R623-E740 WeakPolarHBondContact CD-OE2 3.47Å; R623-E740 IonicContact CZ-OE2 2.67Å; R623-E740 IonicContact NE-OE2 2.78Å; R623-E740 IonicContact NH1-OE2 3.95Å; R623-E740 PolarHBondContact NH1-OE2 2.68Å |
| 624 | P | 83.3 | Confident | 90.4 | Very high | 62 Ų | 62 | 35.3 Ų | 35.3 | 40% | 0.403 | 17% | 0.169 | S | C | . | . | trans | -54.6 | 105.2 | 178.1 | -28 | 35.8 | 0 | 0 | 0 | 112.5 | I644 L645 | P624-I644 HydrophobicContact CB-CG2 3.73Å; P624-L645 CarbonylContact C-O 2.8Å; P624-L645 WeakPolarHBondContact CA-O 3.31Å | ||
| 625 | F | 90.8 | Very high | 90.1 | Very high | 3 Ų | 3 | 42.1 Ų | 42.1 | 1% | 0.013 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 122.7 | 176.4 | -178.2 | -115.9 | 0 | 0 | 0 | 108.9 | M597 L621 R623 V627 I644 L645 I703 A737 | M597-F625 HydrophobicContact CE-CD1 3.83Å; M597-F625 HydrophobicContact CE-CE1 3.85Å; M597-F625 HydrophobicContact SD-CD1 4.44Å; M597-F625 HydrophobicContact SD-CE1 4.03Å; L621-F625 HydrophobicContact CD2-CB 3.26Å; L621-F625 HydrophobicContact CD2-CD1 3.94Å; L621-F625 HydrophobicContact CD2-CG 3.76Å; R623-F625 PolarHBondContact O-N 3.38Å; F625-V627 HydrophobicContact CD1-CG2 3.91Å; F625-V627 HydrophobicContact CE1-CG2 3.56Å; F625-V627 HydrophobicContact CZ-CG2 4.31Å; F625-I644 WeakPolarHBondContact O-CA 3.28Å; F625-L645 PolarHBondContact N-O 3.28Å; F625-L645 PolarHBondContact O-N 3.04Å; F625-I703 HydrophobicContact CE2-CD1 4.02Å; F625-I703 HydrophobicContact CZ-CD1 3.95Å; F625-A737 HydrophobicContact CE1-CB 4.32Å; F625-A737 HydrophobicContact CE2-CB 4.13Å; F625-A737 HydrophobicContact CZ-CB 3.7Å |
| 626 | K | 92.2 | Very high | 89.9 | Confident | 100 Ų | 100 | 42.1 Ų | 42.1 | 44% | 0.435 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 126.6 | -172.8 | -59.5 | -172.6 | -176.5 | 178 | 0 | 110.5 | A643 I644 A737 E738 | K626-A643 CarbonylContact C-O 3.56Å; K626-A643 WeakPolarHBondContact CA-O 3.3Å; K626-I644 HydrophobicContact CG-CG1 4.28Å; K626-A737 WeakPolarHBondContact O-CA 3.47Å; K626-A737 WeakPolarHBondContact O-CB 3.29Å; K626-E738 PolarHBondContact O-N 2.92Å |
| 627 | V | 95 | Very high | 89.9 | Confident | 6 Ų | 6 | 42.9 Ų | 42.9 | 4% | 0.036 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 121.7 | 174.5 | -167.5 | 0 | 0 | 0 | 0 | 108.5 | F625 F629 Q642 A643 A735 A737 | F625-V627 HydrophobicContact CD1-CG2 3.91Å; F625-V627 HydrophobicContact CE1-CG2 3.56Å; F625-V627 HydrophobicContact CZ-CG2 4.31Å; V627-F629 HydrophobicContact CB-CD2 4.37Å; V627-F629 HydrophobicContact CB-CE2 3.79Å; V627-F629 HydrophobicContact CB-CZ 4.4Å; V627-F629 HydrophobicContact CG1-CD2 3.9Å; V627-F629 HydrophobicContact CG1-CE1 4.33Å; V627-F629 HydrophobicContact CG1-CE2 3.38Å; V627-F629 HydrophobicContact CG1-CZ 3.63Å; V627-Q642 WeakPolarHBondContact O-CA 3.47Å; V627-A643 HydrophobicContact CB-CB 4.27Å; V627-A643 PolarHBondContact N-O 2.92Å; V627-A643 PolarHBondContact O-N 3.49Å; V627-A735 HydrophobicContact CG1-CB 4.19Å; V627-A737 HydrophobicContact CB-CB 4.19Å; V627-A737 HydrophobicContact CG1-CB 4.11Å; V627-A737 HydrophobicContact CG2-CB 3.85Å |
| 628 | L | 97.1 | Very high | 90.1 | Very high | 63 Ų | 63 | 48.5 Ų | 48.5 | 33% | 0.33 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 100.1 | 177.4 | -67.3 | 170.2 | 0 | 0 | 0 | 108.8 | T640 Q642 A735 V736 | L628-T640 HydrophobicContact CD2-CG2 4.43Å; L628-Q642 HydrophobicContact CD2-CB 3.72Å; L628-Q642 HydrophobicContact CD2-CG 3.78Å; L628-A735 CarbonylContact O-C 3.59Å; L628-A735 VanDerWaalsContact O-CA 3.24Å; L628-A735 WeakPolarHBondContact O-CA 3Å; L628-V736 PolarHBondContact N-O 3.17Å; L628-V736 PolarHBondContact O-N 2.87Å |
| 629 | F | 97.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 138.1 | 171.4 | -59.8 | -98.4 | 0 | 0 | 0 | 109.9 | V590 I593 V627 F631 T640 I641 A643 W733 S734 A735 | V590-F629 HydrophobicContact CB-CZ 4.42Å; V590-F629 HydrophobicContact CG1-CD2 4.3Å; V590-F629 HydrophobicContact CG1-CE2 3.86Å; V590-F629 HydrophobicContact CG1-CZ 4.03Å; V590-F629 HydrophobicContact CG2-CD1 4.04Å; V590-F629 HydrophobicContact CG2-CD2 4.17Å; V590-F629 HydrophobicContact CG2-CE1 4.27Å; V590-F629 HydrophobicContact CG2-CE2 4.39Å; V590-F629 HydrophobicContact CG2-CG 4Å; V590-F629 HydrophobicContact CG2-CZ 4.44Å; I593-F629 HydrophobicContact CB-CE1 4.13Å; I593-F629 HydrophobicContact CB-CZ 4.19Å; I593-F629 HydrophobicContact CG1-CE1 4.27Å; I593-F629 HydrophobicContact CG2-CE1 4.17Å; I593-F629 HydrophobicContact CG2-CZ 3.99Å; V627-F629 HydrophobicContact CB-CD2 4.37Å; V627-F629 HydrophobicContact CB-CE2 3.79Å; V627-F629 HydrophobicContact CB-CZ 4.4Å; V627-F629 HydrophobicContact CG1-CD2 3.9Å; V627-F629 HydrophobicContact CG1-CE1 4.33Å; V627-F629 HydrophobicContact CG1-CE2 3.38Å; V627-F629 HydrophobicContact CG1-CZ 3.63Å; F629-F631 HydrophobicContact CB-CD2 4.25Å; F629-F631 HydrophobicContact CB-CE2 3.77Å; F629-T640 CarbonylContact O-C 3.53Å; F629-T640 VanDerWaalsContact O-CA 3.26Å; F629-T640 WeakPolarHBondContact O-CA 3.03Å; F629-T640 WeakPolarHBondContact O-CG2 3.39Å; F629-I641 HydrophobicContact CB-CB 4.28Å; F629-I641 PolarHBondContact N-O 2.78Å; F629-I641 PolarHBondContact O-N 2.84Å; F629-A643 HydrophobicContact CE2-CB 4.15Å; F629-W733 HydrophobicContact CD1-CE3 4.15Å; F629-W733 HydrophobicContact CD1-CZ3 4.28Å; F629-W733 HydrophobicContact CE1-CZ3 4.32Å; F629-S734 CarbonylContact C-O 3.56Å; F629-S734 VanDerWaalsContact CA-O 3.29Å; F629-S734 WeakPolarHBondContact CA-O 3.34Å; F629-A735 HydrophobicContact CB-CB 4.43Å; F629-A735 HydrophobicContact CD1-CB 3.57Å; F629-A735 HydrophobicContact CE1-CB 3.95Å; F629-A735 HydrophobicContact CG-CB 4Å |
| 630 | Q | 96.9 | Very high | 90.8 | Very high | 114 Ų | 114 | 48.4 Ų | 48.4 | 53% | 0.533 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 130 | 171.8 | -63 | -177 | -11.6 | 0 | 0 | 108.7 | W733 S734 | Q630-W733 CarbonylContact O-C 3.57Å; Q630-W733 WeakPolarHBondContact O-CA 3.5Å; Q630-S734 PolarHBondContact N-O 3.18Å; Q630-S734 PolarHBondContact O-N 2.98Å |
| 631 | F | 96 | Very high | 91.2 | Very high | 4 Ų | 4 | 48.4 Ų | 48.4 | 2% | 0.018 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 133.2 | 179.9 | -78.3 | -92.7 | 0 | 0 | 0 | 110.6 | I587 V590 F629 I633 K638 F639 I641 V731 H732 W733 | I587-F631 HydrophobicContact CB-CZ 4.21Å; I587-F631 HydrophobicContact CG2-CZ 4.42Å; V590-F631 HydrophobicContact CG2-CE2 3.76Å; V590-F631 HydrophobicContact CG2-CZ 3.76Å; F629-F631 HydrophobicContact CB-CD2 4.25Å; F629-F631 HydrophobicContact CB-CE2 3.77Å; F631-I633 HydrophobicContact CB-CG1 4.29Å; F631-I633 HydrophobicContact CD1-CD1 4.33Å; F631-I633 HydrophobicContact CD1-CG1 4.45Å; F631-K638 VanDerWaalsContact O-CA 3.31Å; F631-K638 WeakPolarHBondContact O-CA 3.49Å; F631-F639 HydrophobicContact CB-CD1 4.2Å; F631-F639 HydrophobicContact CB-CD2 4.23Å; F631-F639 HydrophobicContact CB-CE1 3.86Å; F631-F639 HydrophobicContact CB-CE2 3.87Å; F631-F639 HydrophobicContact CB-CG 4.38Å; F631-F639 HydrophobicContact CB-CZ 3.68Å; F631-F639 HydrophobicContact CD1-CZ 4.43Å; F631-F639 AromaticContact CD2-CE2 3.89Å; F631-F639 HydrophobicContact CD2-CE2 3.89Å; F631-F639 HydrophobicContact CD2-CZ 4.29Å; F631-F639 AromaticContact CG-CE2 3.95Å; F631-F639 HydrophobicContact CG-CE2 3.95Å; F631-F639 AromaticContact CG-CZ 3.9Å; F631-F639 HydrophobicContact CG-CZ 3.9Å; F631-F639 PolarHBondContact N-O 3.03Å; F631-F639 PolarHBondContact O-N 3.08Å; F631-F639 VanDerWaalsContact O-N 3.08Å; F631-I641 HydrophobicContact CD2-CG1 4.47Å; F631-I641 HydrophobicContact CE2-CD1 4.23Å; F631-I641 HydrophobicContact CE2-CG1 4.48Å; F631-V731 HydrophobicContact CD1-CG1 3.7Å; F631-V731 HydrophobicContact CE1-CG1 3.84Å; F631-H732 CarbonylContact C-O 3.51Å; F631-H732 WeakPolarHBondContact CA-O 3.21Å; F631-W733 HydrophobicContact CD1-CB 3.8Å; F631-W733 HydrophobicContact CE1-CB 3.63Å; F631-W733 HydrophobicContact CE1-CG 4.36Å; F631-W733 HydrophobicContact CG-CB 4.34Å; F631-W733 HydrophobicContact CZ-CB 4.03Å |
| 632 | D | 94.5 | Very high | 91.5 | Very high | 53 Ų | 53 | 50.7 Ų | 50.7 | 28% | 0.283 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 96.7 | 167.8 | -174.6 | 14.2 | 0 | 0 | 0 | 108.2 | K638 H732 | D632-K638 HydrophobicContact CB-CG 4.16Å; D632-K638 WeakPolarHBondContact OD1-CE 3.4Å; D632-K638 IonicContact OD1-NZ 2.94Å; D632-K638 WeakPolarHBondContact OD2-CE 3.44Å; D632-K638 IonicContact OD2-NZ 3.85Å; D632-K638 PolarHBondContact OD2-NZ 3.19Å; D632-H732 HydrophobicContact CB-CB 4.19Å; D632-H732 PolarHBondContact N-O 2.86Å; D632-H732 WeakPolarHBondContact O-CB 3.49Å; D632-H732 PolarHBondContact O-N 3.04Å; D632-H732 PolarHBondContact O-ND1 2.84Å |
| 633 | I | 91.4 | Very high | 92.2 | Very high | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 123.6 | -173.4 | -58.4 | -167.6 | 0 | 0 | 0 | 109 | L586 F631 R635 V636 G637 F639 I729 V731 | L586-I633 HydrophobicContact CB-CD1 3.78Å; L586-I633 HydrophobicContact CD1-CD1 3.75Å; L586-I633 HydrophobicContact CD1-CG2 3.67Å; L586-I633 HydrophobicContact CG-CD1 4.44Å; F631-I633 HydrophobicContact CB-CG1 4.29Å; F631-I633 HydrophobicContact CD1-CD1 4.33Å; F631-I633 HydrophobicContact CD1-CG1 4.45Å; I633-R635 PolarHBondContact O-N 2.95Å; I633-V636 HydrophobicContact CB-CB 3.94Å; I633-V636 HydrophobicContact CB-CG2 4.42Å; I633-V636 HydrophobicContact CG2-CB 3.74Å; I633-V636 HydrophobicContact CG2-CG2 3.66Å; I633-V636 PolarHBondContact O-N 3.44Å; I633-G637 PolarHBondContact N-O 3.34Å; I633-G637 VanDerWaalsContact N-O 3.13Å; I633-G637 PolarHBondContact O-N 2.86Å; I633-F639 HydrophobicContact CD1-CE1 3.61Å; I633-F639 HydrophobicContact CD1-CZ 3.82Å; I633-F639 HydrophobicContact CG1-CE1 4.09Å; I633-I729 HydrophobicContact CG2-CG2 3.82Å; I633-V731 HydrophobicContact CD1-CG1 4.23Å; I633-V731 HydrophobicContact CD1-CG2 4.1Å; I633-V731 HydrophobicContact CG1-CG1 4.12Å; I633-V731 HydrophobicContact CG1-CG2 4.13Å; I633-V731 HydrophobicContact CG2-CG2 4.11Å |
| 634 | E | 84.6 | Confident | 92.8 | Very high | 74 Ų | 74 | 43.2 Ų | 43.2 | 35% | 0.346 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | 135.2 | 176.8 | -78.1 | -172.6 | -169.3 | 0 | 0 | 111.3 | V636 I729 N730 | E634-V636 PolarHBondContact O-N 3.14Å; E634-I729 HydrophobicContact CB-CG2 4.36Å; E634-N730 HydrophobicContact CG-CB 4.14Å; E634-N730 PolarHBondContact N-O 2.99Å; E634-N730 VanDerWaalsContact N-O 3.13Å; E634-N730 WeakPolarHBondContact OE1-CB 3.38Å; E634-N730 PolarHBondContact OE1-ND2 2.96Å |
| 635 | R | 83.5 | Confident | 93.3 | Very high | 147 Ų | 147 | 40.3 Ų | 40.3 | 56% | 0.555 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68.7 | -23.9 | -178.7 | -45.1 | 175.4 | -165.7 | -178.3 | 10.5 | 115.4 | I633 N671 E727 E728 | I633-R635 PolarHBondContact O-N 2.95Å; R635-N671 VanDerWaalsContact O-CB 3.32Å; R635-N671 WeakPolarHBondContact O-CB 3.37Å; R635-N671 PolarHBondContact O-ND2 2.85Å; R635-E727 IonicContact CZ-OE1 3.81Å; R635-E727 IonicContact NH1-OE1 3.81Å; R635-E727 PolarHBondContact NH1-OE1 2.78Å; R635-E728 PolarHBondContact NH2-O 3.34Å |
| 636 | V | 87.9 | Confident | 93.3 | Very high | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.012 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | -51.1 | 179.7 | 177.8 | 0 | 0 | 0 | 0 | 112.5 | T583 I633 E634 L670 N671 L673 | T583-V636 HydrophobicContact CG2-CG1 3.67Å; I633-V636 HydrophobicContact CB-CB 3.94Å; I633-V636 HydrophobicContact CB-CG2 4.42Å; I633-V636 HydrophobicContact CG2-CB 3.74Å; I633-V636 HydrophobicContact CG2-CG2 3.66Å; I633-V636 PolarHBondContact O-N 3.44Å; E634-V636 PolarHBondContact O-N 3.14Å; V636-L670 HydrophobicContact CG1-CB 4.32Å; V636-L670 HydrophobicContact CG1-CD1 4.38Å; V636-N671 PolarHBondContact O-N 3.09Å; V636-L673 HydrophobicContact CG2-CD1 3.86Å; V636-L673 HydrophobicContact CG2-CD2 3.73Å; V636-L673 HydrophobicContact CG2-CG 3.64Å |
| 637 | G | 90.6 | Very high | 93.2 | Very high | 25 Ų | 25 | 38.8 Ų | 38.8 | 26% | 0.258 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 117.9 | -164.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | I633 | I633-G637 PolarHBondContact N-O 3.34Å; I633-G637 VanDerWaalsContact N-O 3.13Å; I633-G637 PolarHBondContact O-N 2.86Å |
| 638 | K | 93.5 | Very high | 92.7 | Very high | 119 Ų | 119 | 45.9 Ų | 45.9 | 52% | 0.517 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 131.8 | -169 | -67.8 | -174.4 | 175.1 | -158.7 | 0 | 113.7 | F631 D632 S666 L670 | F631-K638 VanDerWaalsContact O-CA 3.31Å; F631-K638 WeakPolarHBondContact O-CA 3.49Å; D632-K638 HydrophobicContact CB-CG 4.16Å; D632-K638 WeakPolarHBondContact OD1-CE 3.4Å; D632-K638 IonicContact OD1-NZ 2.94Å; D632-K638 WeakPolarHBondContact OD2-CE 3.44Å; D632-K638 IonicContact OD2-NZ 3.85Å; D632-K638 PolarHBondContact OD2-NZ 3.19Å; K638-S666 VanDerWaalsContact O-CB 3.28Å; K638-S666 WeakPolarHBondContact O-CB 3.2Å; K638-S666 PolarHBondContact O-OG 2.66Å; K638-L670 WeakPolarHBondContact O-CD2 3.41Å |
| 639 | F | 94.8 | Very high | 91.8 | Very high | 7 Ų | 7 | 45.2 Ų | 45.2 | 3% | 0.031 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 164.7 | 173.1 | 64.2 | -87.9 | 0 | 0 | 0 | 112.4 | F544 I587 F631 I633 I641 F665 L670 | F544-F639 HydrophobicContact CD1-CB 4.14Å; F544-F639 HydrophobicContact CE1-CB 3.81Å; F544-F639 HydrophobicContact CE1-CD2 4.02Å; F544-F639 AromaticContact CE1-CG 3.89Å; F544-F639 HydrophobicContact CE1-CG 3.89Å; F544-F639 HydrophobicContact CZ-CD2 4.42Å; I587-F639 HydrophobicContact CG2-CE2 4.12Å; I587-F639 HydrophobicContact CG2-CZ 4.11Å; F631-F639 HydrophobicContact CB-CD1 4.2Å; F631-F639 HydrophobicContact CB-CD2 4.23Å; F631-F639 HydrophobicContact CB-CE1 3.86Å; F631-F639 HydrophobicContact CB-CE2 3.87Å; F631-F639 HydrophobicContact CB-CG 4.38Å; F631-F639 HydrophobicContact CB-CZ 3.68Å; F631-F639 HydrophobicContact CD1-CZ 4.43Å; F631-F639 AromaticContact CD2-CE2 3.89Å; F631-F639 HydrophobicContact CD2-CE2 3.89Å; F631-F639 HydrophobicContact CD2-CZ 4.29Å; F631-F639 AromaticContact CG-CE2 3.95Å; F631-F639 HydrophobicContact CG-CE2 3.95Å; F631-F639 AromaticContact CG-CZ 3.9Å; F631-F639 HydrophobicContact CG-CZ 3.9Å; F631-F639 PolarHBondContact N-O 3.03Å; F631-F639 PolarHBondContact O-N 3.08Å; F631-F639 VanDerWaalsContact O-N 3.08Å; I633-F639 HydrophobicContact CD1-CE1 3.61Å; I633-F639 HydrophobicContact CD1-CZ 3.82Å; I633-F639 HydrophobicContact CG1-CE1 4.09Å; F639-I641 HydrophobicContact CD2-CG1 4.07Å; F639-I641 HydrophobicContact CE2-CD1 3.9Å; F639-I641 HydrophobicContact CE2-CG1 3.91Å; F639-F665 WeakPolarHBondContact CB-O 3.47Å; F639-L670 HydrophobicContact CB-CD1 4.14Å; F639-L670 HydrophobicContact CD1-CD1 3.66Å; F639-L670 HydrophobicContact CE1-CD1 4.41Å; F639-L670 HydrophobicContact CG-CD1 4.16Å |
| 640 | T | 96.3 | Very high | 90.7 | Very high | 32 Ų | 32 | 47.7 Ų | 47.7 | 20% | 0.196 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 144.3 | 178.7 | -55.4 | 0 | 0 | 0 | 0 | 109.1 | L628 F629 A664 F665 | L628-T640 HydrophobicContact CD2-CG2 4.43Å; F629-T640 CarbonylContact O-C 3.53Å; F629-T640 VanDerWaalsContact O-CA 3.26Å; F629-T640 WeakPolarHBondContact O-CA 3.03Å; F629-T640 WeakPolarHBondContact O-CG2 3.39Å; T640-A664 CarbonylContact O-C 3.55Å; T640-A664 VanDerWaalsContact O-CA 3.32Å; T640-A664 WeakPolarHBondContact O-CA 3.12Å; T640-F665 HydrophobicContact CG2-CE1 3.82Å; T640-F665 HydrophobicContact CG2-CE2 4.17Å; T640-F665 HydrophobicContact CG2-CZ 3.53Å; T640-F665 PolarHBondContact N-O 3.19Å; T640-F665 PolarHBondContact O-N 3.25Å |
| 641 | I | 96.7 | Very high | 89.1 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 120.4 | 164.7 | -61.9 | -172.1 | 0 | 0 | 0 | 108.7 | I587 V590 F629 F631 F639 L662 E663 A664 | I587-I641 HydrophobicContact CB-CD1 3.94Å; I587-I641 HydrophobicContact CD1-CD1 3.5Å; I587-I641 VanDerWaalsContact CD1-CD1 3.5Å; I587-I641 HydrophobicContact CG1-CD1 4.29Å; I587-I641 HydrophobicContact CG2-CD1 3.55Å; V590-I641 HydrophobicContact CG2-CD1 4.34Å; F629-I641 HydrophobicContact CB-CB 4.28Å; F629-I641 PolarHBondContact N-O 2.78Å; F629-I641 PolarHBondContact O-N 2.84Å; F631-I641 HydrophobicContact CD2-CG1 4.47Å; F631-I641 HydrophobicContact CE2-CD1 4.23Å; F631-I641 HydrophobicContact CE2-CG1 4.48Å; F639-I641 HydrophobicContact CD2-CG1 4.07Å; F639-I641 HydrophobicContact CE2-CD1 3.9Å; F639-I641 HydrophobicContact CE2-CG1 3.91Å; I641-L662 HydrophobicContact CG2-CD2 4.21Å; I641-E663 WeakPolarHBondContact CA-O 3.04Å; I641-A664 HydrophobicContact CD1-CB 4.22Å; I641-A664 HydrophobicContact CG1-CB 3.84Å |
| 642 | Q | 96.3 | Very high | 87.4 | Confident | 48 Ų | 48 | 49.3 Ų | 49.3 | 22% | 0.224 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 116.5 | 168.7 | 179.3 | -179.9 | -111.8 | 0 | 0 | 109.1 | V627 L628 I644 L662 E663 F665 | V627-Q642 WeakPolarHBondContact O-CA 3.47Å; L628-Q642 HydrophobicContact CD2-CB 3.72Å; L628-Q642 HydrophobicContact CD2-CG 3.78Å; Q642-I644 HydrophobicContact CG-CD1 4.39Å; Q642-I644 HydrophobicContact CG-CG1 4.04Å; Q642-L662 CarbonylContact O-C 3.6Å; Q642-L662 WeakPolarHBondContact O-CA 3.45Å; Q642-E663 PolarHBondContact N-O 2.96Å; Q642-E663 PolarHBondContact O-N 2.73Å; Q642-F665 HydrophobicContact CB-CE1 4.19Å |
| 643 | A | 95.9 | Very high | 85.8 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 135.1 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | K626 V627 F629 L645 E661 L662 | K626-A643 CarbonylContact C-O 3.56Å; K626-A643 WeakPolarHBondContact CA-O 3.3Å; V627-A643 HydrophobicContact CB-CB 4.27Å; V627-A643 PolarHBondContact N-O 2.92Å; V627-A643 PolarHBondContact O-N 3.49Å; F629-A643 HydrophobicContact CE2-CB 4.15Å; A643-L645 HydrophobicContact CB-CD1 4.26Å; A643-E661 WeakPolarHBondContact CA-O 3.42Å; A643-L662 HydrophobicContact CB-CD2 3.31Å |
| 644 | I | 94.4 | Very high | 84.7 | Confident | 46 Ų | 46 | 50.6 Ų | 50.6 | 24% | 0.236 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 120.3 | 174.4 | -52.4 | -174.6 | 0 | 0 | 0 | 108.1 | P624 F625 K626 Q642 I660 E661 | P624-I644 HydrophobicContact CB-CG2 3.73Å; F625-I644 WeakPolarHBondContact O-CA 3.28Å; K626-I644 HydrophobicContact CG-CG1 4.28Å; Q642-I644 HydrophobicContact CG-CD1 4.39Å; Q642-I644 HydrophobicContact CG-CG1 4.04Å; I644-I660 WeakPolarHBondContact O-CA 3.39Å; I644-E661 PolarHBondContact N-O 3.11Å; I644-E661 PolarHBondContact O-N 2.94Å |
| 645 | L | 93.7 | Very high | 84.2 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 134.9 | 177.1 | -65.3 | 88.4 | 0 | 0 | 0 | 110.7 | L557 L594 M597 L621 P624 F625 A643 V659 I660 | L557-L645 HydrophobicContact CD2-CD2 3.87Å; L594-L645 HydrophobicContact CD2-CD1 3.77Å; L594-L645 HydrophobicContact CD2-CD2 4.03Å; L594-L645 HydrophobicContact CD2-CG 4.42Å; M597-L645 HydrophobicContact CG-CD2 4.48Å; L621-L645 HydrophobicContact CD1-CB 4.05Å; L621-L645 HydrophobicContact CD1-CD2 4.35Å; L621-L645 HydrophobicContact CD2-CB 4.14Å; P624-L645 CarbonylContact C-O 2.8Å; P624-L645 WeakPolarHBondContact CA-O 3.31Å; F625-L645 PolarHBondContact N-O 3.28Å; F625-L645 PolarHBondContact O-N 3.04Å; A643-L645 HydrophobicContact CB-CD1 4.26Å; L645-V659 WeakPolarHBondContact CA-O 3.21Å; L645-I660 HydrophobicContact CD1-CD1 4.46Å; L645-I660 HydrophobicContact CD2-CD1 4.21Å; L645-I660 HydrophobicContact CG-CB 4.41Å; L645-I660 HydrophobicContact CG-CD1 4.13Å; L645-I660 HydrophobicContact CG-CG1 4.08Å |
| 646 | E | 90.9 | Very high | 84.2 | Confident | 63 Ų | 63 | 43.6 Ų | 43.6 | 29% | 0.294 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 127.2 | 178.5 | 179.6 | -178.4 | -119.9 | 0 | 0 | 109.4 | R648 G658 V659 | E646-R648 HydrophobicContact CG-CG 4.37Å; E646-R648 IonicContact OE2-CZ 2.74Å; E646-R648 IonicContact OE2-NE 3.93Å; E646-R648 PolarHBondContact OE2-NE 2.96Å; E646-R648 VanDerWaalsContact OE2-NE 3.12Å; E646-R648 IonicContact OE2-NH2 2.77Å; E646-R648 PolarHBondContact OE2-NH2 3.32Å; E646-G658 CarbonylContact O-C 3.45Å; E646-G658 WeakPolarHBondContact O-CA 3.39Å; E646-V659 PolarHBondContact N-O 2.76Å; E646-V659 PolarHBondContact O-N 2.71Å |
| 647 | L | 89.7 | Confident | 84.2 | Confident | 9 Ų | 9 | 45.1 Ų | 45.1 | 5% | 0.047 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 127.9 | 172.4 | -162.8 | 73.1 | 0 | 0 | 0 | 109 | W526 F534 F536 F615 L621 F650 A656 | W526-L647 HydrophobicContact CH2-CD2 3.72Å; W526-L647 HydrophobicContact CZ2-CD2 4.15Å; F534-L647 HydrophobicContact CD1-CD1 4.35Å; F536-L647 HydrophobicContact CE1-CD1 3.92Å; F536-L647 HydrophobicContact CZ-CD1 3.8Å; F615-L647 HydrophobicContact CZ-CD2 4.21Å; L621-L647 HydrophobicContact CB-CB 3.85Å; L621-L647 PolarHBondContact O-N 3.31Å; L647-F650 HydrophobicContact CD2-CB 3.85Å; L647-F650 HydrophobicContact CD2-CD1 3.76Å; L647-F650 HydrophobicContact CD2-CG 4.01Å; L647-F650 HydrophobicContact CG-CB 4.43Å; L647-F650 HydrophobicContact CG-CD1 4.05Å; L647-A656 HydrophobicContact CD1-CB 3.99Å; L647-A656 HydrophobicContact CD2-CB 4.43Å |
| 648 | R | 84.8 | Confident | 84.2 | Confident | 155 Ų | 155 | 44.2 Ų | 44.2 | 59% | 0.585 | 23% | 0.234 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -109.6 | -49.3 | -172.5 | -70.3 | -169.6 | 174.8 | 170.1 | 4.7 | 113 | E646 S657 V659 | E646-R648 HydrophobicContact CG-CG 4.37Å; E646-R648 IonicContact OE2-CZ 2.74Å; E646-R648 IonicContact OE2-NE 3.93Å; E646-R648 PolarHBondContact OE2-NE 2.96Å; E646-R648 VanDerWaalsContact OE2-NE 3.12Å; E646-R648 IonicContact OE2-NH2 2.77Å; E646-R648 PolarHBondContact OE2-NH2 3.32Å; R648-S657 PolarHBondContact N-O 3.22Å; R648-V659 VanDerWaalsContact CZ-CG2 3.41Å |
| 649 | D | 78 | Confident | 84.1 | Confident | 49 Ų | 49 | 39.6 Ų | 39.6 | 26% | 0.262 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 127.3 | 175.9 | 173 | 31.7 | 0 | 0 | 0 | 109.6 | T651 A656 S657 | D649-T651 WeakPolarHBondContact OD1-CB 3.44Å; D649-T651 VanDerWaalsContact OD1-CG2 3.23Å; D649-T651 WeakPolarHBondContact OD1-CG2 3.42Å; D649-T651 PolarHBondContact OD1-N 2.78Å; D649-T651 PolarHBondContact OD1-OG1 3.32Å; D649-A656 CarbonylContact O-C 3.53Å; D649-A656 VanDerWaalsContact O-CA 3.28Å; D649-A656 WeakPolarHBondContact O-CA 3.36Å; D649-S657 PolarHBondContact N-O 3.42Å; D649-S657 VanDerWaalsContact N-O 3.09Å; D649-S657 PolarHBondContact O-N 3.21Å |
| 650 | F | 74.7 | Confident | 84.1 | Confident | 51 Ų | 51 | 39.4 Ų | 39.4 | 22% | 0.224 | 22% | 0.215 | C | C | . | . | trans | -143.9 | 25.5 | 176.5 | 52.7 | -88.4 | 0 | 0 | 0 | 110.1 | K524 W526 Q622 L647 T652 A656 | K524-F650 HydrophobicContact CB-CD2 4.22Å; K524-F650 HydrophobicContact CB-CE2 4.43Å; K524-F650 HydrophobicContact CD-CD2 3.88Å; K524-F650 PolarHBondContact NZ-O 2.86Å; W526-F650 HydrophobicContact CH2-CB 4.35Å; W526-F650 HydrophobicContact CZ2-CB 3.89Å; Q622-F650 VanDerWaalsContact NE2-CE1 3.25Å; L647-F650 HydrophobicContact CD2-CB 3.85Å; L647-F650 HydrophobicContact CD2-CD1 3.76Å; L647-F650 HydrophobicContact CD2-CG 4.01Å; L647-F650 HydrophobicContact CG-CB 4.43Å; L647-F650 HydrophobicContact CG-CD1 4.05Å; F650-T652 VanDerWaalsContact C-N 3.35Å; F650-T652 PolarHBondContact O-N 3.29Å; F650-A656 HydrophobicContact CB-CB 3.85Å | ||
| 651 | T | 63.2 | Low | 84.1 | Confident | 97 Ų | 97 | 41.3 Ų | 41.3 | 60% | 0.595 | 22% | 0.222 | S | C | * | . | trans | -59.8 | -44.4 | -178.5 | 51.3 | 0 | 0 | 0 | 0 | 111.4 | D649 | D649-T651 WeakPolarHBondContact OD1-CB 3.44Å; D649-T651 VanDerWaalsContact OD1-CG2 3.23Å; D649-T651 WeakPolarHBondContact OD1-CG2 3.42Å; D649-T651 PolarHBondContact OD1-N 2.78Å; D649-T651 PolarHBondContact OD1-OG1 3.32Å | ||
| 652 | T | 59.4 | Low | 84 | Confident | 56 Ų | 56 | 41.4 Ų | 41.4 | 34% | 0.344 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -71.6 | 152.1 | -179 | 92.4 | 0 | 0 | 0 | 0 | 112.7 | K524 F650 A654 Y655 | K524-T652 PolarHBondContact NZ-O 2.8Å; F650-T652 VanDerWaalsContact C-N 3.35Å; F650-T652 PolarHBondContact O-N 3.29Å; T652-A654 PolarHBondContact O-N 2.97Å; T652-Y655 WeakPolarHBondContact OG1-CA 3.34Å; T652-Y655 WeakPolarHBondContact OG1-CB 3.35Å; T652-Y655 PolarHBondContact OG1-N 3.41Å; T652-Y655 PolarHBondContact OG1-O 2.04Å |
| 653 | G | 62 | Low | 83.9 | Confident | 42 Ų | 42 | 41.6 Ų | 41.6 | 43% | 0.433 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -66.7 | -33.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | H532 | H532-G653 PolarHBondContact CE1-O 3.1Å; H532-G653 PolarHBondContact ND1-O 3.39Å |
| 654 | A | 68.4 | Low | 83.8 | Confident | 39 Ų | 39 | 41.7 Ų | 41.7 | 32% | 0.322 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -114.6 | -16.2 | -168.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | H532 K533 T652 | H532-A654 CarbonylContact C-O 3.52Å; H532-A654 WeakPolarHBondContact CA-O 3.42Å; K533-A654 PolarHBondContact N-O 2.98Å; T652-A654 PolarHBondContact O-N 2.97Å |
| 655 | Y | 74.2 | Confident | 83.8 | Confident | 74 Ų | 74 | 43 Ų | 43 | 29% | 0.29 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 139.4 | 179.1 | 177.7 | -100.9 | 0 | 0 | 0 | 111.7 | K533 T652 | K533-Y655 HydrophobicContact CB-CD2 4.18Å; K533-Y655 HydrophobicContact CD-CD2 4.37Å; K533-Y655 HydrophobicContact CG-CD2 4.18Å; K533-Y655 HydrophobicContact CG-CE2 4.44Å; K533-Y655 WeakPolarHBondContact O-CA 3.33Å; K533-Y655 WeakPolarHBondContact O-CD2 3.42Å; T652-Y655 WeakPolarHBondContact OG1-CA 3.34Å; T652-Y655 WeakPolarHBondContact OG1-CB 3.35Å; T652-Y655 PolarHBondContact OG1-N 3.41Å; T652-Y655 PolarHBondContact OG1-O 2.04Å |
| 656 | A | 83 | Confident | 83.7 | Confident | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.008 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 148.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | W526 K533 F534 S535 L647 D649 F650 | W526-A656 HydrophobicContact CZ2-CB 4.35Å; K533-A656 PolarHBondContact O-N 3.45Å; F534-A656 CarbonylContact C-O 3.47Å; F534-A656 VanDerWaalsContact CA-O 3.3Å; F534-A656 WeakPolarHBondContact CA-O 3.32Å; F534-A656 HydrophobicContact CD1-CB 3.78Å; F534-A656 HydrophobicContact CE1-CB 3.99Å; S535-A656 PolarHBondContact N-O 3Å; L647-A656 HydrophobicContact CD1-CB 3.99Å; L647-A656 HydrophobicContact CD2-CB 4.43Å; D649-A656 CarbonylContact O-C 3.53Å; D649-A656 VanDerWaalsContact O-CA 3.28Å; D649-A656 WeakPolarHBondContact O-CA 3.36Å; F650-A656 HydrophobicContact CB-CB 3.85Å |
| 657 | S | 86.9 | Confident | 83.2 | Confident | 33 Ų | 33 | 47.6 Ų | 47.6 | 23% | 0.231 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 151.3 | 178.2 | 73.8 | 0 | 0 | 0 | 0 | 112.8 | S535 R648 D649 | S535-S657 CarbonylContact O-C 3.53Å; S535-S657 WeakPolarHBondContact O-CA 3.45Å; R648-S657 PolarHBondContact N-O 3.22Å; D649-S657 PolarHBondContact N-O 3.42Å; D649-S657 VanDerWaalsContact N-O 3.09Å; D649-S657 PolarHBondContact O-N 3.21Å |
| 658 | G | 90.8 | Very high | 83 | Confident | 6 Ų | 6 | 53.4 Ų | 53.4 | 6% | 0.062 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | -173.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | S535 F536 S537 E646 | S535-G658 PolarHBondContact O-N 2.86Å; F536-G658 WeakPolarHBondContact CA-O 3.37Å; S537-G658 PolarHBondContact N-O 2.98Å; E646-G658 CarbonylContact O-C 3.45Å; E646-G658 WeakPolarHBondContact O-CA 3.39Å |
| 659 | V | 93.1 | Very high | 83 | Confident | 23 Ų | 23 | 51.2 Ų | 51.2 | 14% | 0.139 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 144 | 175.2 | 167.3 | 0 | 0 | 0 | 0 | 110.5 | S537 L645 E646 R648 E661 | S537-V659 VanDerWaalsContact O-CA 3.25Å; S537-V659 WeakPolarHBondContact O-CA 3.21Å; L645-V659 WeakPolarHBondContact CA-O 3.21Å; E646-V659 PolarHBondContact N-O 2.76Å; E646-V659 PolarHBondContact O-N 2.71Å; R648-V659 VanDerWaalsContact CZ-CG2 3.41Å; V659-E661 HydrophobicContact CG1-CG 4.02Å |
| 660 | I | 94.5 | Very high | 83.4 | Confident | 2 Ų | 2 | 49.5 Ų | 49.5 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 124.7 | 172.6 | -178.6 | 169 | 0 | 0 | 0 | 109.1 | F536 S537 G538 S539 I555 L557 L594 I644 L645 | F536-I660 HydrophobicContact CB-CB 4.12Å; F536-I660 HydrophobicContact CB-CG2 3.81Å; S537-I660 PolarHBondContact O-N 2.9Å; S537-I660 VanDerWaalsContact O-N 3.09Å; G538-I660 WeakPolarHBondContact CA-O 3.38Å; S539-I660 PolarHBondContact N-O 2.92Å; I555-I660 HydrophobicContact CD1-CG1 4.06Å; I555-I660 HydrophobicContact CD1-CG2 4.06Å; I555-I660 WeakPolarHBondContact CD1-O 3.13Å; I555-I660 HydrophobicContact CG1-CG2 4.18Å; L557-I660 HydrophobicContact CD2-CD1 4.47Å; L594-I660 HydrophobicContact CD1-CD1 3.63Å; L594-I660 HydrophobicContact CD2-CD1 3.83Å; L594-I660 HydrophobicContact CG-CD1 4.34Å; I644-I660 WeakPolarHBondContact O-CA 3.39Å; L645-I660 HydrophobicContact CD1-CD1 4.46Å; L645-I660 HydrophobicContact CD2-CD1 4.21Å; L645-I660 HydrophobicContact CG-CB 4.41Å; L645-I660 HydrophobicContact CG-CD1 4.13Å; L645-I660 HydrophobicContact CG-CG1 4.08Å |
| 661 | E | 95.2 | Very high | 84.1 | Confident | 73 Ų | 73 | 52.6 Ų | 52.6 | 34% | 0.341 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 135.2 | 174.5 | -63 | -62.6 | 160.3 | 0 | 0 | 109.9 | S539 A643 I644 V659 | S539-E661 WeakPolarHBondContact CA-OE2 3.28Å; S539-E661 WeakPolarHBondContact CB-OE2 3.15Å; S539-E661 PolarHBondContact N-OE2 3.45Å; S539-E661 PolarHBondContact OG-OE2 2.92Å; A643-E661 WeakPolarHBondContact CA-O 3.42Å; I644-E661 PolarHBondContact N-O 3.11Å; I644-E661 PolarHBondContact O-N 2.94Å; V659-E661 HydrophobicContact CG1-CG 4.02Å |
| 662 | L | 95.6 | Very high | 85.2 | Confident | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.016 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 127.2 | 176.3 | -63.5 | 179.4 | 0 | 0 | 0 | 110.1 | S539 L540 T541 I555 V590 F591 I641 Q642 A643 | S539-L662 PolarHBondContact O-N 2.83Å; L540-L662 CarbonylContact C-O 3.57Å; L540-L662 VanDerWaalsContact CA-O 3.27Å; L540-L662 WeakPolarHBondContact CA-O 3.49Å; L540-L662 HydrophobicContact CB-CB 3.99Å; L540-L662 HydrophobicContact CD1-CB 4.22Å; L540-L662 HydrophobicContact CD1-CD1 3.92Å; L540-L662 HydrophobicContact CG-CB 3.82Å; L540-L662 HydrophobicContact CG-CD1 4.42Å; T541-L662 PolarHBondContact N-O 3.34Å; I555-L662 HydrophobicContact CD1-CB 3.98Å; I555-L662 HydrophobicContact CD1-CD1 3.66Å; I555-L662 HydrophobicContact CD1-CG 3.44Å; I555-L662 VanDerWaalsContact CD1-CG 3.44Å; I555-L662 HydrophobicContact CG2-CD1 4.36Å; V590-L662 HydrophobicContact CG1-CD2 4.48Å; F591-L662 HydrophobicContact CE1-CD1 4.33Å; F591-L662 HydrophobicContact CZ-CD1 4.45Å; I641-L662 HydrophobicContact CG2-CD2 4.21Å; Q642-L662 CarbonylContact O-C 3.6Å; Q642-L662 WeakPolarHBondContact O-CA 3.45Å; A643-L662 HydrophobicContact CB-CD2 3.31Å |
| 663 | E | 94 | Very high | 86.4 | Confident | 52 Ų | 52 | 47.4 Ų | 47.4 | 24% | 0.243 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 111.8 | 169 | -174 | 174.1 | -162 | 0 | 0 | 109.6 | R543 I641 Q642 F665 | R543-E663 IonicContact CZ-OE1 2.74Å; R543-E663 IonicContact NH1-OE1 2.94Å; R543-E663 PolarHBondContact NH1-OE1 3.42Å; I641-E663 WeakPolarHBondContact CA-O 3.04Å; Q642-E663 PolarHBondContact N-O 2.96Å; Q642-E663 PolarHBondContact O-N 2.73Å; E663-F665 HydrophobicContact CG-CD1 4.21Å |
| 664 | A | 93.5 | Very high | 86.9 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.008 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 125.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110 | T541 A542 R543 F544 T640 I641 | T541-A664 PolarHBondContact O-N 2.94Å; A542-A664 CarbonylContact C-O 3.54Å; A542-A664 VanDerWaalsContact CA-O 3.27Å; A542-A664 WeakPolarHBondContact CA-O 3.49Å; A542-A664 HydrophobicContact CB-CB 4.19Å; R543-A664 PolarHBondContact N-O 2.81Å; F544-A664 HydrophobicContact CE1-CB 4.06Å; F544-A664 HydrophobicContact CZ-CB 3.9Å; T640-A664 CarbonylContact O-C 3.55Å; T640-A664 VanDerWaalsContact O-CA 3.32Å; T640-A664 WeakPolarHBondContact O-CA 3.12Å; I641-A664 HydrophobicContact CD1-CB 4.22Å; I641-A664 HydrophobicContact CG1-CB 3.84Å |
| 665 | F | 93.4 | Very high | 87.2 | Confident | 73 Ų | 73 | 56 Ų | 56 | 32% | 0.32 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 147.9 | -177 | 62.7 | -87 | 0 | 0 | 0 | 114.6 | R543 F639 T640 Q642 E663 | R543-F665 HydrophobicContact CB-CB 4.46Å; R543-F665 CarbonylContact O-C 3.55Å; R543-F665 WeakPolarHBondContact O-CA 3.49Å; F639-F665 WeakPolarHBondContact CB-O 3.47Å; T640-F665 HydrophobicContact CG2-CE1 3.82Å; T640-F665 HydrophobicContact CG2-CE2 4.17Å; T640-F665 HydrophobicContact CG2-CZ 3.53Å; T640-F665 PolarHBondContact N-O 3.19Å; T640-F665 PolarHBondContact O-N 3.25Å; Q642-F665 HydrophobicContact CB-CE1 4.19Å; E663-F665 HydrophobicContact CG-CD1 4.21Å |
| 666 | S | 91.7 | Very high | 87.1 | Confident | 19 Ų | 19 | 53.6 Ų | 53.6 | 13% | 0.133 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 145 | 166.1 | -169.8 | 0 | 0 | 0 | 0 | 111.1 | R543 G545 K638 E668 | R543-S666 PolarHBondContact O-N 3.44Å; G545-S666 PolarHBondContact N-O 2.82Å; K638-S666 VanDerWaalsContact O-CB 3.28Å; K638-S666 WeakPolarHBondContact O-CB 3.2Å; K638-S666 PolarHBondContact O-OG 2.66Å; S666-E668 VanDerWaalsContact C-N 3.3Å; S666-E668 PolarHBondContact OG-N 2.82Å; S666-E668 PolarHBondContact OG-O 3.29Å |
| 667 | T | 82.3 | Confident | 87 | Confident | 141 Ų | 141 | 54.1 Ų | 54.1 | 87% | 0.865 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -76.9 | -20.1 | 171.1 | 48.7 | 0 | 0 | 0 | 0 | 112.8 | ||
| 668 | E | 84.9 | Confident | 86.4 | Confident | 132 Ų | 132 | 56 Ų | 56 | 62% | 0.617 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -98.8 | 153.3 | 178.4 | -62 | -176.3 | 176.7 | 0 | 0 | 109.9 | G545 S666 | G545-E668 PolarHBondContact N-O 2.04Å; S666-E668 VanDerWaalsContact C-N 3.3Å; S666-E668 PolarHBondContact OG-N 2.82Å; S666-E668 PolarHBondContact OG-O 3.29Å |
| 669 | N | 83.9 | Confident | 85.7 | Confident | 109 Ų | 109 | 57.4 Ų | 57.4 | 58% | 0.583 | 29% | 0.291 | S | S | * | . | P | Polyproline II helix | trans | -73 | 128.4 | 169.5 | -73 | -9 | 0 | 0 | 0 | 108.5 | G545 S546 | G545-N669 VanDerWaalsContact CA-OD1 3.3Å; G545-N669 WeakPolarHBondContact CA-OD1 3.48Å; S546-N669 PolarHBondContact N-OD1 2.93Å; S546-N669 PolarHBondContact OG-OD1 2.94Å |
| 670 | L | 87.9 | Confident | 84.5 | Confident | 13 Ų | 13 | 57 Ų | 57 | 7% | 0.068 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -86.4 | 153.1 | 174.6 | -63.4 | -178 | 0 | 0 | 0 | 111.3 | F544 V636 K638 F639 L672 | F544-L670 HydrophobicContact CB-CB 4.43Å; F544-L670 HydrophobicContact CB-CD1 3.98Å; F544-L670 HydrophobicContact CB-CG 4.03Å; F544-L670 HydrophobicContact CD1-CD1 3.49Å; F544-L670 VanDerWaalsContact CD1-CD1 3.49Å; F544-L670 HydrophobicContact CD1-CG 4.28Å; F544-L670 HydrophobicContact CD2-CD1 3.99Å; F544-L670 HydrophobicContact CE1-CD1 3.9Å; F544-L670 HydrophobicContact CE2-CD1 4.33Å; F544-L670 HydrophobicContact CG-CD1 3.54Å; F544-L670 HydrophobicContact CG-CG 4.17Å; F544-L670 HydrophobicContact CZ-CD1 4.29Å; V636-L670 HydrophobicContact CG1-CB 4.32Å; V636-L670 HydrophobicContact CG1-CD1 4.38Å; K638-L670 WeakPolarHBondContact O-CD2 3.41Å; F639-L670 HydrophobicContact CB-CD1 4.14Å; F639-L670 HydrophobicContact CD1-CD1 3.66Å; F639-L670 HydrophobicContact CE1-CD1 4.41Å; F639-L670 HydrophobicContact CG-CD1 4.16Å; L670-L672 VanDerWaalsContact C-N 3.35Å; L670-L672 HydrophobicContact CB-CD2 3.8Å; L670-L672 HydrophobicContact CD1-CD2 4.19Å; L670-L672 PolarHBondContact O-N 3.47Å; L670-L672 VanDerWaalsContact O-N 3.17Å |
| 671 | N | 88.7 | Confident | 82.6 | Confident | 116 Ų | 116 | 65.7 Ų | 65.7 | 62% | 0.62 | 32% | 0.324 | S | S | * | . | trans | -82.8 | 83 | 164.2 | -60.3 | -36.6 | 0 | 0 | 0 | 108.5 | R635 V636 | R635-N671 VanDerWaalsContact O-CB 3.32Å; R635-N671 WeakPolarHBondContact O-CB 3.37Å; R635-N671 PolarHBondContact O-ND2 2.85Å; V636-N671 PolarHBondContact O-N 3.09Å | ||
| 672 | L | 85.9 | Confident | 80.1 | Confident | 22 Ų | 22 | 66 Ų | 66 | 12% | 0.115 | 33% | 0.334 | C | S | . | . | trans | -61.3 | 145.8 | -179.3 | -56.8 | -172.7 | 0 | 0 | 0 | 112.2 | F544 E547 R579 I580 T583 L670 | F544-L672 HydrophobicContact CD2-CD2 3.81Å; F544-L672 HydrophobicContact CE2-CD2 4.33Å; E547-L672 WeakPolarHBondContact OE2-CD1 3.29Å; R579-L672 HydrophobicContact CB-CB 3.73Å; R579-L672 HydrophobicContact CB-CD1 3.84Å; R579-L672 HydrophobicContact CB-CG 4.48Å; I580-L672 HydrophobicContact CB-CD1 4.46Å; I580-L672 HydrophobicContact CG1-CD1 3.52Å; T583-L672 HydrophobicContact CG2-CD2 4.02Å; T583-L672 WeakPolarHBondContact OG1-CA 3.01Å; T583-L672 WeakPolarHBondContact OG1-CB 3.29Å; L670-L672 VanDerWaalsContact C-N 3.35Å; L670-L672 HydrophobicContact CB-CD2 3.8Å; L670-L672 HydrophobicContact CD1-CD2 4.19Å; L670-L672 PolarHBondContact O-N 3.47Å; L670-L672 VanDerWaalsContact O-N 3.17Å | ||
| 673 | L | 84.6 | Confident | 77.5 | Confident | 21 Ų | 21 | 67.9 Ų | 67.9 | 11% | 0.11 | 35% | 0.351 | C | S | . | . | trans | -81.4 | 135.9 | -176.6 | -64.5 | 172.3 | 0 | 0 | 0 | 112.1 | S582 T583 L586 V636 Y677 I729 | S582-L673 WeakPolarHBondContact CB-O 3.41Å; T583-L673 PolarHBondContact OG1-N 2.83Å; L586-L673 HydrophobicContact CD1-CD1 3.57Å; L586-L673 HydrophobicContact CG-CD1 4.33Å; V636-L673 HydrophobicContact CG2-CD1 3.86Å; V636-L673 HydrophobicContact CG2-CD2 3.73Å; V636-L673 HydrophobicContact CG2-CG 3.64Å; L673-Y677 HydrophobicContact CD1-CD2 3.89Å; L673-Y677 HydrophobicContact CD1-CE2 3.86Å; L673-Y677 HydrophobicContact CD2-CE2 4.17Å; L673-Y677 HydrophobicContact CG-CE2 4.48Å; L673-I729 HydrophobicContact CD1-CD1 4.37Å; L673-I729 HydrophobicContact CD2-CD1 4.2Å | ||
| 674 | D | 72.8 | Confident | 75.1 | Confident | 115 Ų | 115 | 67 Ų | 67 | 62% | 0.615 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -91.9 | 2.5 | 170.2 | -79.2 | -40.8 | 0 | 0 | 0 | 112.7 | R579 | R579-D674 IonicContact CZ-OD1 2.75Å; R579-D674 IonicContact CZ-OD2 3.52Å; R579-D674 IonicContact NE-OD1 2.7Å; R579-D674 PolarHBondContact NE-OD1 3.49Å; R579-D674 IonicContact NE-OD2 3.25Å; R579-D674 VanDerWaalsContact NH2-CG 3.3Å; R579-D674 IonicContact NH2-OD1 2.77Å; R579-D674 PolarHBondContact NH2-OD1 3.35Å; R579-D674 IonicContact NH2-OD2 2.72Å; R579-D674 PolarHBondContact NH2-OD2 2.79Å |
| 675 | R | 73.9 | Confident | 72.8 | Confident | 148 Ų | 148 | 71 Ų | 71 | 56% | 0.558 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -132.9 | 152.5 | -172.9 | -73 | -177.3 | 174.3 | 178.6 | -5.4 | 111.7 | Y677 E727 | R675-Y677 HydrophobicContact CB-CE2 4.04Å; R675-Y677 WeakPolarHBondContact O-CD2 3.45Å; R675-E727 IonicContact NH1-OE2 2.68Å; R675-E727 PolarHBondContact NH1-OE2 3.49Å; R675-E727 VanDerWaalsContact NH1-OE2 3.1Å |
| 676 | S | 73.7 | Confident | 70.8 | Confident | 23 Ų | 23 | 73.5 Ų | 73.5 | 16% | 0.161 | 38% | 0.382 | C | S | . | . | trans | -86.2 | 142.7 | 174.6 | 54.4 | 0 | 0 | 0 | 0 | 113 | R585 E715 | R585-S676 VanDerWaalsContact CZ-CB 3.4Å; S676-E715 WeakPolarHBondContact CB-OE2 3.41Å; S676-E715 PolarHBondContact O-N 2.87Å; S676-E715 VanDerWaalsContact O-N 3.11Å; S676-E715 WeakPolarHBondContact OG-CB 3.29Å; S676-E715 PolarHBondContact OG-OE2 3.02Å | ||
| 677 | Y | 79.4 | Confident | 68.8 | Low | 11 Ų | 11 | 77 Ų | 77 | 4% | 0.043 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 153.5 | 178.1 | -71.1 | -99.5 | 0 | 0 | 0 | 109.2 | R585 L586 L673 R675 F712 I713 V714 I729 | R585-Y677 PolarHBondContact NH2-O 3.41Å; L586-Y677 HydrophobicContact CD2-CG 4.34Å; L673-Y677 HydrophobicContact CD1-CD2 3.89Å; L673-Y677 HydrophobicContact CD1-CE2 3.86Å; L673-Y677 HydrophobicContact CD2-CE2 4.17Å; L673-Y677 HydrophobicContact CG-CE2 4.48Å; R675-Y677 HydrophobicContact CB-CE2 4.04Å; R675-Y677 WeakPolarHBondContact O-CD2 3.45Å; Y677-F712 HydrophobicContact CD1-CB 4.39Å; Y677-I713 WeakPolarHBondContact CA-O 3.45Å; Y677-V714 HydrophobicContact CD1-CG2 4.01Å; Y677-V714 HydrophobicContact CE1-CB 4.34Å; Y677-V714 HydrophobicContact CE1-CG2 3.35Å; Y677-V714 HydrophobicContact CE2-CG2 4.27Å; Y677-V714 VanDerWaalsContact CZ-CG2 3.47Å; Y677-I729 HydrophobicContact CD1-CB 4.48Å; Y677-I729 HydrophobicContact CD1-CD1 4.16Å; Y677-I729 HydrophobicContact CD1-CG1 4.31Å; Y677-I729 HydrophobicContact CE1-CB 4.27Å; Y677-I729 HydrophobicContact CE1-CD1 3.46Å; Y677-I729 VanDerWaalsContact CE1-CD1 3.46Å; Y677-I729 HydrophobicContact CE1-CG1 3.64Å; Y677-I729 HydrophobicContact CE2-CD1 3.94Å |
| 678 | I | 75.1 | Confident | 67.5 | Low | 72 Ų | 72 | 76.5 Ų | 76.5 | 37% | 0.369 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 148.9 | 174.9 | 59.5 | 172.9 | 0 | 0 | 0 | 110.1 | A680 F712 I713 | I678-A680 PolarHBondContact O-N 2.84Å; I678-F712 VanDerWaalsContact C-CD1 3.48Å; I678-F712 CarbonylContact O-C 3.49Å; I678-F712 VanDerWaalsContact O-CA 3.25Å; I678-F712 WeakPolarHBondContact O-CA 3.43Å; I678-I713 HydrophobicContact CD1-CD1 4.34Å; I678-I713 HydrophobicContact CD1-CG1 4.26Å; I678-I713 HydrophobicContact CG1-CD1 4.3Å; I678-I713 HydrophobicContact CG1-CG1 3.7Å; I678-I713 PolarHBondContact N-O 2.76Å; I678-I713 PolarHBondContact O-N 2.92Å |
| 679 | E | 76.6 | Confident | 66.7 | Low | 36 Ų | 36 | 73.7 Ų | 73.7 | 17% | 0.168 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 130.5 | 177.3 | -172.9 | 162.9 | 168.8 | 0 | 0 | 110 | T588 H592 Y692 V710 F712 | T588-E679 VanDerWaalsContact CB-OE2 3.32Å; T588-E679 WeakPolarHBondContact CB-OE2 3.45Å; T588-E679 PolarHBondContact OG1-OE2 3.38Å; H592-E679 IonicContact CD2-OE2 2.72Å; H592-E679 IonicContact NE2-OE2 2.75Å; E679-Y692 PolarHBondContact OE1-OH 2.93Å; E679-V710 HydrophobicContact CG-CG1 3.64Å; E679-V710 VanDerWaalsContact OE1-CG1 3.29Å; E679-V710 WeakPolarHBondContact OE1-CG1 3.46Å; E679-F712 HydrophobicContact CB-CD1 4.28Å; E679-F712 HydrophobicContact CB-CE1 3.92Å; E679-F712 HydrophobicContact CB-CZ 4.25Å; E679-F712 HydrophobicContact CG-CZ 4.48Å |
| 680 | A | 68.1 | Low | 66.1 | Low | 16 Ų | 16 | 69.7 Ų | 69.7 | 13% | 0.132 | 36% | 0.362 | C | S | . | . | trans | -75.8 | 131 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110 | I678 S682 K711 I713 | I678-A680 PolarHBondContact O-N 2.84Å; A680-S682 CarbonylContact O-C 3.58Å; A680-S682 PolarHBondContact O-N 2.9Å; A680-K711 HydrophobicContact CB-CB 4.04Å; A680-K711 WeakPolarHBondContact CB-O 3.18Å; A680-K711 PolarHBondContact N-O 2.96Å; A680-I713 HydrophobicContact CB-CG2 4.27Å | ||
| 681 | Y | 53 | Low | 65.7 | Low | 183 Ų | 183 | 70 Ų | 70 | 72% | 0.718 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -58.2 | 2.8 | 178.9 | -68.5 | -78.1 | 0 | 0 | 0 | 116.2 | ||
| 682 | S | 44.4 | Very low | 65.3 | Low | 80 Ų | 80 | 66 Ų | 66 | 56% | 0.559 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -115.9 | 74.6 | 170.5 | 179.1 | 0 | 0 | 0 | 0 | 108.9 | A680 | A680-S682 CarbonylContact O-C 3.58Å; A680-S682 PolarHBondContact O-N 2.9Å |
| 683 | A | 40.8 | Very low | 65.4 | Low | 43 Ų | 43 | 65 Ų | 65 | 36% | 0.355 | 33% | 0.333 | S | S | . | . | trans | -58.5 | 145.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y692 | A683-Y692 HydrophobicContact CB-CD2 4.49Š| ||
| 684 | S | 42.8 | Very low | 65.7 | Low | 33 Ų | 33 | 64.4 Ų | 64.4 | 23% | 0.231 | 33% | 0.33 | C | S | . | . | S | Bend | trans | 72.3 | 127.3 | -177.5 | 178.8 | 0 | 0 | 0 | 0 | 116.6 | K686 | S684-K686 PolarHBondContact O-N 2.87Å; S684-K686 VanDerWaalsContact O-N 3.14Å; S684-K686 WeakPolarHBondContact OG-CA 3.5Å; S684-K686 WeakPolarHBondContact OG-CB 3.39Å; S684-K686 PolarHBondContact OG-N 2.86Å; S684-K686 PolarHBondContact OG-O 2.85Å |
| 685 | D | 44.3 | Very low | 66.6 | Low | 86 Ų | 86 | 59 Ų | 59 | 46% | 0.46 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -62.4 | -9.2 | 163.2 | -104.7 | -41.1 | 0 | 0 | 0 | 113.6 | P687 K711 | D685-P687 WeakPolarHBondContact O-CD 3.43Å; D685-K711 VanDerWaalsContact CG-CE 3.43Å; D685-K711 WeakPolarHBondContact OD1-CE 3.31Å; D685-K711 IonicContact OD1-NZ 2.77Å; D685-K711 PolarHBondContact OD1-NZ 3.17Å; D685-K711 WeakPolarHBondContact OD2-CE 3.05Å; D685-K711 IonicContact OD2-NZ 3.26Å |
| 686 | K | 52.1 | Low | 67.5 | Low | 125 Ų | 125 | 54.1 Ų | 54.1 | 54% | 0.543 | 28% | 0.284 | S | S | . | . | trans | -104.3 | 91.8 | 170.6 | -59.3 | 176.5 | -177.8 | 176.4 | 0 | 107.9 | S684 D688 K689 | S684-K686 PolarHBondContact O-N 2.87Å; S684-K686 VanDerWaalsContact O-N 3.14Å; S684-K686 WeakPolarHBondContact OG-CA 3.5Å; S684-K686 WeakPolarHBondContact OG-CB 3.39Å; S684-K686 PolarHBondContact OG-N 2.86Å; S684-K686 PolarHBondContact OG-O 2.85Å; K686-D688 PolarHBondContact O-N 2.98Å; K686-K689 HydrophobicContact CB-CD 4.44Å; K686-K689 HydrophobicContact CB-CG 4.27Å; K686-K689 PolarHBondContact O-N 2.83Å | ||
| 687 | P | 49.7 | Very low | 68.2 | Low | 92 Ų | 92 | 53.2 Ų | 53.2 | 60% | 0.597 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | 5.7 | 171.9 | 31.3 | -37.5 | 0 | 0 | 0 | 113 | D685 A812 | D685-P687 WeakPolarHBondContact O-CD 3.43Å; P687-A812 WeakPolarHBondContact O-CB 3.33Å |
| 688 | D | 55.7 | Low | 68.6 | Low | 131 Ų | 131 | 53.3 Ų | 53.3 | 70% | 0.701 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -3.4 | 173.2 | -48.7 | -48.4 | 0 | 0 | 0 | 113 | K686 | K686-D688 PolarHBondContact O-N 2.98Š|
| 689 | K | 66.8 | Low | 69 | Low | 73 Ų | 73 | 54 Ų | 54 | 32% | 0.317 | 28% | 0.283 | S | S | . | . | trans | -103.6 | 142.8 | -178.5 | -70.7 | -170 | 168.2 | -158.9 | 0 | 113.5 | K686 Y691 A812 | K686-K689 HydrophobicContact CB-CD 4.44Å; K686-K689 HydrophobicContact CB-CG 4.27Å; K686-K689 PolarHBondContact O-N 2.83Å; K689-Y691 HydrophobicContact CB-CE1 4.23Å; K689-Y691 HydrophobicContact CD-CE1 4.08Å; K689-Y691 HydrophobicContact CD-CE2 4.21Å; K689-Y691 WeakPolarHBondContact CE-OH 3.08Å; K689-Y691 HydrophobicContact CG-CE1 4.14Å; K689-Y691 PolarHBondContact NZ-OH 2.85Å; K689-A812 WeakPolarHBondContact O-CB 3.49Å | ||
| 690 | T | 72.1 | Confident | 69.4 | Low | 25 Ų | 25 | 59.3 Ų | 59.3 | 15% | 0.153 | 31% | 0.307 | C | S | . | . | trans | -109.6 | -5.2 | -168.4 | 50.7 | 0 | 0 | 0 | 0 | 113.9 | P792 P794 A812 | T690-P792 WeakPolarHBondContact CB-O 3.22Å; T690-P792 PolarHBondContact OG1-O 2.92Å; T690-P794 HydrophobicContact CG2-CB 3.98Å; T690-P794 HydrophobicContact CG2-CG 3.62Å; T690-A812 HydrophobicContact CG2-CB 4.14Å | ||
| 691 | Y | 78.4 | Confident | 70 | Confident | 20 Ų | 20 | 58.9 Ų | 58.9 | 8% | 0.078 | 31% | 0.305 | C | S | . | . | trans | -120.9 | 157.7 | -176.9 | 54.8 | -84.4 | 0 | 0 | 0 | 110.5 | K689 A693 N694 Y757 E791 P792 | K689-Y691 HydrophobicContact CB-CE1 4.23Å; K689-Y691 HydrophobicContact CD-CE1 4.08Å; K689-Y691 HydrophobicContact CD-CE2 4.21Å; K689-Y691 WeakPolarHBondContact CE-OH 3.08Å; K689-Y691 HydrophobicContact CG-CE1 4.14Å; K689-Y691 PolarHBondContact NZ-OH 2.85Å; Y691-A693 WeakPolarHBondContact CD2-O 3.48Å; Y691-N694 HydrophobicContact CD2-CB 4.23Å; Y691-N694 HydrophobicContact CE2-CB 3.83Å; Y691-Y757 AromaticContact CD1-CD1 3.88Å; Y691-Y757 HydrophobicContact CD1-CD1 3.88Å; Y691-Y757 AromaticContact CD2-CD1 3.89Å; Y691-Y757 HydrophobicContact CD2-CD1 3.89Å; Y691-Y757 AromaticContact CE1-CD1 3.75Å; Y691-Y757 HydrophobicContact CE1-CD1 3.75Å; Y691-Y757 AromaticContact CE1-CE1 3.93Å; Y691-Y757 HydrophobicContact CE1-CE1 3.93Å; Y691-Y757 AromaticContact CE2-CD1 3.74Å; Y691-Y757 HydrophobicContact CE2-CD1 3.74Å; Y691-Y757 HydrophobicContact CE2-CE1 4.09Å; Y691-Y757 AromaticContact CG-CD1 3.92Å; Y691-Y757 HydrophobicContact CG-CD1 3.92Å; Y691-Y757 AromaticContact CZ-CD1 3.61Å; Y691-Y757 AromaticContact CZ-CE1 3.63Å; Y691-E791 HydrophobicContact CD1-CG 4.29Å; Y691-E791 HydrophobicContact CE1-CG 3.58Å; Y691-E791 WeakPolarHBondContact CE1-OE1 3.45Å; Y691-E791 VanDerWaalsContact CZ-OE1 3.25Å; Y691-E791 PolarHBondContact OH-OE1 3.42Å; Y691-P792 HydrophobicContact CD1-CG 3.9Å; Y691-P792 HydrophobicContact CG-CG 4.28Å | ||
| 692 | Y | 81.1 | Confident | 71.8 | Confident | 32 Ų | 32 | 54.4 Ų | 54.4 | 13% | 0.125 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -80.6 | -57.7 | 177.4 | -178.6 | -97.5 | 0 | 0 | 0 | 110.5 | P589 H592 E679 A683 Q708 I758 L760 | P589-Y692 WeakPolarHBondContact CA-OH 3.3Å; H592-Y692 HydrophobicContact CB-CD1 4.34Å; H592-Y692 HydrophobicContact CB-CE1 3.69Å; H592-Y692 AromaticContact CD2-CZ 3.73Å; H592-Y692 PolarHBondContact CD2-OH 3.47Å; E679-Y692 PolarHBondContact OE1-OH 2.93Å; A683-Y692 HydrophobicContact CB-CD2 4.49Å; Y692-Q708 PolarHBondContact O-OE1 2.94Å; Y692-I758 PolarHBondContact N-O 2.93Å; Y692-L760 HydrophobicContact CD1-CD1 4.19Å; Y692-L760 HydrophobicContact CD2-CD1 3.86Å; Y692-L760 HydrophobicContact CE2-CD1 4.46Å; Y692-L760 HydrophobicContact CG-CD1 3.72Å; Y692-L760 HydrophobicContact CG-CG 4.19Å |
| 693 | A | 88 | Confident | 74.1 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 160.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I593 Y691 W733 I758 | I593-A693 HydrophobicContact CD1-CB 3.58Å; Y691-A693 WeakPolarHBondContact CD2-O 3.48Å; A693-W733 HydrophobicContact CB-CH2 4.23Å; A693-W733 HydrophobicContact CB-CZ2 4.28Å; A693-I758 HydrophobicContact CB-CB 4.41Å; A693-I758 PolarHBondContact N-O 3.1Å; A693-I758 PolarHBondContact O-N 3.02Å |
| 694 | N | 90.7 | Very high | 76.6 | Confident | 9 Ų | 9 | 50 Ų | 50 | 5% | 0.048 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 154.8 | 169.3 | 68.7 | -31.5 | 0 | 0 | 0 | 110.8 | Y691 F705 P706 Q708 W755 Y756 Y757 | Y691-N694 HydrophobicContact CD2-CB 4.23Å; Y691-N694 HydrophobicContact CE2-CB 3.83Å; N694-F705 WeakPolarHBondContact O-CD1 3.35Å; N694-P706 WeakPolarHBondContact O-CD 3.18Å; N694-P706 WeakPolarHBondContact OD1-CG 3.3Å; N694-Q708 PolarHBondContact OD1-NE2 3.27Å; N694-W755 HydrophobicContact CB-CE3 4.42Å; N694-Y756 CarbonylContact C-O 3.59Å; N694-Y756 WeakPolarHBondContact CA-O 3.42Å; N694-Y756 VanDerWaalsContact CB-O 3.26Å; N694-Y756 WeakPolarHBondContact CB-O 3.29Å; N694-Y757 HydrophobicContact CB-CD1 3.65Å; N694-Y757 HydrophobicContact CB-CE1 3.95Å; N694-Y757 HydrophobicContact CB-CG 4.29Å |
| 695 | Y | 92.8 | Very high | 79.1 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 161.1 | 177.5 | 68 | -91.5 | 0 | 0 | 0 | 111.2 | Y612 L614 L617 I703 V704 F705 W755 Y756 I758 L787 | Y612-Y695 PolarHBondContact O-OH 2.86Å; L614-Y695 HydrophobicContact CD2-CD1 4.34Å; L614-Y695 HydrophobicContact CD2-CE1 4.04Å; L614-Y695 HydrophobicContact CD2-CE2 4.22Å; L617-Y695 HydrophobicContact CD1-CE2 3.88Å; Y695-I703 HydrophobicContact CD2-CG2 3.66Å; Y695-I703 HydrophobicContact CE2-CG2 4.3Å; Y695-I703 HydrophobicContact CG-CG2 4.15Å; Y695-V704 CarbonylContact C-O 3.58Å; Y695-V704 VanDerWaalsContact CA-O 3.27Å; Y695-V704 WeakPolarHBondContact CA-O 3.48Å; Y695-F705 AromaticContact CD1-CE1 3.96Å; Y695-F705 HydrophobicContact CD1-CE1 3.96Å; Y695-F705 HydrophobicContact CD1-CZ 4.13Å; Y695-F705 HydrophobicContact CG-CE1 4.21Å; Y695-F705 HydrophobicContact CG-CZ 4.21Å; Y695-W755 VanDerWaalsContact C-CE3 3.49Å; Y695-Y756 HydrophobicContact CD2-CD2 4.13Å; Y695-Y756 AromaticContact CE2-CD2 3.67Å; Y695-Y756 HydrophobicContact CE2-CD2 3.67Å; Y695-Y756 AromaticContact CE2-CG 3.96Å; Y695-Y756 HydrophobicContact CE2-CG 3.96Å; Y695-Y756 PolarHBondContact N-O 3.01Å; Y695-Y756 PolarHBondContact O-N 2.89Å; Y695-I758 HydrophobicContact CD1-CD1 4.06Å; Y695-I758 HydrophobicContact CD1-CG1 4.32Å; Y695-I758 HydrophobicContact CE1-CD1 4.11Å; Y695-I758 HydrophobicContact CE1-CG1 4.18Å; Y695-L787 HydrophobicContact CE1-CD1 3.78Å |
| 696 | K | 91.1 | Very high | 81.4 | Confident | 47 Ų | 47 | 46.1 Ų | 46.1 | 20% | 0.204 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 162.6 | 172 | 64.1 | 173.9 | -171.6 | 155.8 | 0 | 111.3 | I703 V704 N753 E754 W755 | K696-I703 CarbonylContact O-C 3.59Å; K696-I703 WeakPolarHBondContact O-CA 3.06Å; K696-V704 HydrophobicContact CG-CB 4.36Å; K696-V704 PolarHBondContact N-O 3.01Å; K696-V704 PolarHBondContact O-N 3.05Å; K696-N753 PolarHBondContact NZ-OD1 3.01Å; K696-E754 WeakPolarHBondContact CA-O 3.45Å; K696-E754 WeakPolarHBondContact CB-O 3.41Å; K696-W755 HydrophobicContact CB-CD2 4.13Å; K696-W755 HydrophobicContact CB-CE3 3.72Å; K696-W755 HydrophobicContact CB-CH2 4.43Å; K696-W755 HydrophobicContact CB-CZ3 3.86Å; K696-W755 HydrophobicContact CD-CD2 4.33Å; K696-W755 HydrophobicContact CD-CE3 4.31Å; K696-W755 HydrophobicContact CD-CH2 3.69Å; K696-W755 HydrophobicContact CD-CZ2 3.74Å; K696-W755 HydrophobicContact CD-CZ3 3.97Å; K696-W755 HydrophobicContact CG-CD2 4.49Å; K696-W755 HydrophobicContact CG-CE3 4.02Å; K696-W755 HydrophobicContact CG-CH2 3.81Å; K696-W755 HydrophobicContact CG-CZ2 4.33Å; K696-W755 HydrophobicContact CG-CZ3 3.62Å |
| 697 | I | 89.5 | Confident | 83.3 | Confident | 3 Ų | 3 | 46.8 Ų | 46.8 | 2% | 0.015 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 119.4 | 169.9 | -56.8 | 172.7 | 0 | 0 | 0 | 107.9 | L617 R702 L744 I750 N753 | L617-I697 HydrophobicContact CD1-CD1 4.32Å; L617-I697 HydrophobicContact CD2-CD1 3.93Å; I697-R702 WeakPolarHBondContact CA-O 3.47Å; I697-L744 HydrophobicContact CD1-CD2 3.82Å; I697-L744 HydrophobicContact CG1-CD2 4.18Å; I697-L744 HydrophobicContact CG2-CD2 3.84Å; I697-I750 HydrophobicContact CD1-CB 4.28Å; I697-I750 HydrophobicContact CD1-CD1 4.05Å; I697-I750 HydrophobicContact CD1-CG2 3.7Å; I697-N753 PolarHBondContact O-N 3.07Å |
| 698 | D | 88.1 | Confident | 85.1 | Confident | 13 Ų | 13 | 43.6 Ų | 43.6 | 7% | 0.07 | 21% | 0.212 | C | C | . | . | trans | -79.7 | 174.2 | -178.1 | 91.2 | -22.9 | 0 | 0 | 0 | 113.1 | H700 G701 R702 V704 | D698-H700 PolarHBondContact O-N 3.34Å; D698-H700 VanDerWaalsContact O-N 3.09Å; D698-H700 WeakPolarHBondContact OD1-CA 3.11Å; D698-H700 WeakPolarHBondContact OD1-CB 3.33Å; D698-H700 PolarHBondContact OD1-N 3.26Å; D698-H700 IonicContact OD1-ND1 3.8Å; D698-H700 IonicContact OD2-CE1 3.77Å; D698-H700 IonicContact OD2-CG 3.68Å; D698-H700 IonicContact OD2-ND1 2.74Å; D698-H700 PolarHBondContact OD2-ND1 2.82Å; D698-G701 PolarHBondContact O-N 2.85Å; D698-G701 PolarHBondContact OD1-N 2.82Å; D698-G701 VanDerWaalsContact OD1-N 3.12Å; D698-R702 PolarHBondContact N-O 2.78Å; D698-R702 WeakPolarHBondContact OD1-CB 3.29Å; D698-R702 PolarHBondContact OD1-N 2.78Å; D698-R702 IonicContact OD1-NE 3.6Å; D698-R702 IonicContact OD2-CZ 2.71Å; D698-R702 VanDerWaalsContact OD2-CZ 3.32Å; D698-R702 IonicContact OD2-NE 3.94Å; D698-R702 PolarHBondContact OD2-NE 2.92Å; D698-R702 IonicContact OD2-NH2 3.72Å; D698-R702 PolarHBondContact OD2-NH2 3.04Å; D698-V704 HydrophobicContact CB-CG2 4.21Å | ||
| 699 | D | 83.2 | Confident | 86.6 | Confident | 88 Ų | 88 | 39 Ų | 39 | 47% | 0.471 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -22.7 | -179.1 | -62.1 | -63.3 | 0 | 0 | 0 | 113.9 | K752 N753 | D699-K752 PolarHBondContact O-NZ 2.9Å; D699-N753 PolarHBondContact OD1-ND2 3.22Å; D699-N753 VanDerWaalsContact OD1-ND2 3.08Å; D699-N753 PolarHBondContact OD2-ND2 3.28Å |
| 700 | H | 83.9 | Confident | 87.4 | Confident | 146 Ų | 146 | 35.7 Ų | 35.7 | 68% | 0.676 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -4.1 | 178 | -48.9 | 93 | 0 | 0 | 0 | 113.3 | D698 R702 | D698-H700 PolarHBondContact O-N 3.34Å; D698-H700 VanDerWaalsContact O-N 3.09Å; D698-H700 WeakPolarHBondContact OD1-CA 3.11Å; D698-H700 WeakPolarHBondContact OD1-CB 3.33Å; D698-H700 PolarHBondContact OD1-N 3.26Å; D698-H700 IonicContact OD1-ND1 3.8Å; D698-H700 IonicContact OD2-CE1 3.77Å; D698-H700 IonicContact OD2-CG 3.68Å; D698-H700 IonicContact OD2-ND1 2.74Å; D698-H700 PolarHBondContact OD2-ND1 2.82Å; H700-R702 HydrophobicContact CB-CG 4.28Å |
| 701 | G | 81.5 | Confident | 87.9 | Confident | 8 Ų | 8 | 36.8 Ų | 36.8 | 8% | 0.082 | 18% | 0.178 | C | C | . | . | S | Bend | trans | 87.5 | 16.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | D698 L744 | D698-G701 PolarHBondContact O-N 2.85Å; D698-G701 PolarHBondContact OD1-N 2.82Å; D698-G701 VanDerWaalsContact OD1-N 3.12Å; G701-L744 WeakPolarHBondContact CA-O 3.31Å; G701-L744 WeakPolarHBondContact O-CB 3.31Å; G701-L744 WeakPolarHBondContact O-CD1 3.26Å |
| 702 | R | 89.7 | Confident | 88.3 | Confident | 89 Ų | 89 | 35.9 Ų | 35.9 | 34% | 0.336 | 17% | 0.174 | S | C | . | . | trans | -94.6 | 139.2 | -178.7 | -54 | 177.4 | -63.1 | 166.3 | 5.5 | 109.9 | I697 D698 H700 V704 V736 E738 | I697-R702 WeakPolarHBondContact CA-O 3.47Å; D698-R702 PolarHBondContact N-O 2.78Å; D698-R702 WeakPolarHBondContact OD1-CB 3.29Å; D698-R702 PolarHBondContact OD1-N 2.78Å; D698-R702 IonicContact OD1-NE 3.6Å; D698-R702 IonicContact OD2-CZ 2.71Å; D698-R702 VanDerWaalsContact OD2-CZ 3.32Å; D698-R702 IonicContact OD2-NE 3.94Å; D698-R702 PolarHBondContact OD2-NE 2.92Å; D698-R702 IonicContact OD2-NH2 3.72Å; D698-R702 PolarHBondContact OD2-NH2 3.04Å; H700-R702 HydrophobicContact CB-CG 4.28Å; R702-V704 HydrophobicContact CB-CG2 4.31Å; R702-V704 PolarHBondContact O-N 3.06Å; R702-V736 HydrophobicContact CB-CG1 4.01Å; R702-E738 WeakPolarHBondContact CD-OE1 3.09Å; R702-E738 HydrophobicContact CG-CG 4.13Å | ||
| 703 | I | 92.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 111.9 | 175.9 | -53.7 | 167.6 | 0 | 0 | 0 | 106.8 | L614 L617 F625 Y695 K696 F705 V736 A737 L744 | L614-I703 HydrophobicContact CD2-CG2 4.09Å; L617-I703 HydrophobicContact CB-CD1 3.73Å; L617-I703 HydrophobicContact CD1-CD1 4.08Å; L617-I703 HydrophobicContact CD1-CG1 4.48Å; F625-I703 HydrophobicContact CE2-CD1 4.02Å; F625-I703 HydrophobicContact CZ-CD1 3.95Å; Y695-I703 HydrophobicContact CD2-CG2 3.66Å; Y695-I703 HydrophobicContact CE2-CG2 4.3Å; Y695-I703 HydrophobicContact CG-CG2 4.15Å; K696-I703 CarbonylContact O-C 3.59Å; K696-I703 WeakPolarHBondContact O-CA 3.06Å; I703-F705 HydrophobicContact CG2-CE2 4.08Å; I703-V736 CarbonylContact O-C 3.48Å; I703-V736 WeakPolarHBondContact O-CA 3.21Å; I703-A737 HydrophobicContact CB-CB 4.15Å; I703-A737 HydrophobicContact CD1-CB 4.41Å; I703-A737 PolarHBondContact N-O 2.77Å; I703-A737 PolarHBondContact O-N 3.05Å; I703-L744 HydrophobicContact CD1-CD1 4.32Å; I703-L744 HydrophobicContact CG1-CD1 4.33Å; I703-L744 HydrophobicContact CG1-CD2 4.13Å |
| 704 | V | 94.2 | Very high | 87.7 | Confident | 29 Ų | 29 | 37.4 Ų | 37.4 | 18% | 0.176 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 114.6 | -172.4 | -178.4 | 0 | 0 | 0 | 0 | 110.1 | Y695 K696 D698 R702 V736 | Y695-V704 CarbonylContact C-O 3.58Å; Y695-V704 VanDerWaalsContact CA-O 3.27Å; Y695-V704 WeakPolarHBondContact CA-O 3.48Å; K696-V704 HydrophobicContact CG-CB 4.36Å; K696-V704 PolarHBondContact N-O 3.01Å; K696-V704 PolarHBondContact O-N 3.05Å; D698-V704 HydrophobicContact CB-CG2 4.21Å; R702-V704 HydrophobicContact CB-CG2 4.31Å; R702-V704 PolarHBondContact O-N 3.06Å; V704-V736 HydrophobicContact CG2-CG1 4.45Å; V704-V736 HydrophobicContact CG2-CG2 4.41Å |
| 705 | F | 95.2 | Very high | 86.4 | Confident | 5 Ų | 5 | 39.3 Ų | 39.3 | 2% | 0.022 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 127.2 | 162.6 | -61.4 | -100.5 | 0 | 0 | 0 | 107.7 | I593 L614 N694 Y695 I703 W733 A735 I758 | I593-F705 HydrophobicContact CD1-CD1 4.19Å; I593-F705 HydrophobicContact CD1-CE1 3.7Å; I593-F705 HydrophobicContact CD1-CZ 4.46Å; I593-F705 HydrophobicContact CG1-CE1 4.42Å; I593-F705 HydrophobicContact CG2-CE1 4.24Å; I593-F705 HydrophobicContact CG2-CZ 3.95Å; L614-F705 HydrophobicContact CD1-CZ 4Å; L614-F705 HydrophobicContact CD2-CZ 4.02Å; N694-F705 WeakPolarHBondContact O-CD1 3.35Å; Y695-F705 AromaticContact CD1-CE1 3.96Å; Y695-F705 HydrophobicContact CD1-CE1 3.96Å; Y695-F705 HydrophobicContact CD1-CZ 4.13Å; Y695-F705 HydrophobicContact CG-CE1 4.21Å; Y695-F705 HydrophobicContact CG-CZ 4.21Å; I703-F705 HydrophobicContact CG2-CE2 4.08Å; F705-W733 HydrophobicContact CB-CH2 4.39Å; F705-W733 HydrophobicContact CB-CZ3 4.02Å; F705-W733 HydrophobicContact CD1-CH2 4.14Å; F705-W733 HydrophobicContact CD1-CZ3 4.37Å; F705-W733 HydrophobicContact CG-CZ3 4.32Å; F705-A735 HydrophobicContact CB-CB 4.02Å; F705-A735 HydrophobicContact CD2-CB 3.83Å; F705-A735 HydrophobicContact CG-CB 4.17Å; F705-A735 PolarHBondContact N-O 2.75Å; F705-A735 PolarHBondContact O-N 3.37Å; F705-I758 HydrophobicContact CE1-CD1 4.12Å |
| 706 | P | 92.5 | Very high | 84.5 | Confident | 33 Ų | 33 | 44.7 Ų | 44.7 | 21% | 0.214 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 174.6 | 179.7 | 32.7 | -29.3 | 0 | 0 | 0 | 110.2 | N694 Q708 W755 | N694-P706 WeakPolarHBondContact O-CD 3.18Å; N694-P706 WeakPolarHBondContact OD1-CG 3.3Å; P706-Q708 HydrophobicContact CG-CG 4.44Å; P706-Q708 PolarHBondContact O-N 2.95Å; P706-W755 HydrophobicContact CB-CH2 3.85Å; P706-W755 HydrophobicContact CB-CZ3 4.32Å; P706-W755 HydrophobicContact CG-CH2 3.82Å; P706-W755 HydrophobicContact CG-CZ3 3.82Å |
| 707 | E | 91.9 | Very high | 82.3 | Confident | 139 Ų | 139 | 50.5 Ų | 50.5 | 65% | 0.65 | 24% | 0.239 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 128.8 | 169.1 | -168 | 176.7 | 84.8 | 0 | 0 | 110.8 | H732 W733 | E707-H732 HydrophobicContact CG-CB 4.43Å; E707-W733 CarbonylContact C-O 3.5Å; E707-W733 WeakPolarHBondContact CA-O 3.18Å |
| 708 | Q | 88 | Confident | 79.9 | Confident | 25 Ų | 25 | 57.4 Ų | 57.4 | 12% | 0.117 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 145.7 | 179.2 | -58 | -159.1 | -22.9 | 0 | 0 | 110 | Y692 N694 P706 H732 W733 | Y692-Q708 PolarHBondContact O-OE1 2.94Å; N694-Q708 PolarHBondContact OD1-NE2 3.27Å; P706-Q708 HydrophobicContact CG-CG 4.44Å; P706-Q708 PolarHBondContact O-N 2.95Å; Q708-H732 CarbonylContact O-C 3.49Å; Q708-H732 WeakPolarHBondContact O-CA 3.37Å; Q708-W733 HydrophobicContact CB-CZ2 4.29Å; Q708-W733 HydrophobicContact CG-CZ2 4.41Å; Q708-W733 PolarHBondContact N-O 3.04Å; Q708-W733 PolarHBondContact O-N 3.33Å; Q708-W733 VanDerWaalsContact OE1-CZ2 3.26Å |
| 709 | T | 87.3 | Confident | 77.4 | Confident | 34 Ų | 34 | 62 Ų | 62 | 21% | 0.209 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 123.3 | -179.4 | -47.2 | 0 | 0 | 0 | 0 | 110.4 | N730 V731 H732 | T709-N730 HydrophobicContact CG2-CB 3.87Å; T709-V731 WeakPolarHBondContact CA-O 3.39Å; T709-H732 PolarHBondContact OG1-CD2 2.83Å; T709-H732 PolarHBondContact OG1-NE2 2.91Å |
| 710 | V | 83.8 | Confident | 75.2 | Confident | 5 Ų | 5 | 63.8 Ų | 63.8 | 3% | 0.03 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 136.2 | 174.1 | 178.5 | 0 | 0 | 0 | 0 | 108.4 | P589 E679 F712 V731 | P589-V710 HydrophobicContact CG-CB 4.5Å; P589-V710 HydrophobicContact CG-CG2 4.08Å; E679-V710 HydrophobicContact CG-CG1 3.64Å; E679-V710 VanDerWaalsContact OE1-CG1 3.29Å; E679-V710 WeakPolarHBondContact OE1-CG1 3.46Å; V710-F712 HydrophobicContact CB-CE2 4.12Å; V710-F712 HydrophobicContact CG1-CD2 4.19Å; V710-F712 HydrophobicContact CG1-CE2 3.61Å; V710-F712 HydrophobicContact CG1-CZ 4.26Å; V710-V731 PolarHBondContact N-O 3.22Å; V710-V731 PolarHBondContact O-N 2.88Å |
| 711 | K | 83.2 | Confident | 73.1 | Confident | 48 Ų | 48 | 65 Ų | 65 | 21% | 0.209 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 138.2 | 179.6 | -70.5 | -166.4 | 177.6 | -180 | 0 | 111.2 | A680 D685 N730 | A680-K711 HydrophobicContact CB-CB 4.04Å; A680-K711 WeakPolarHBondContact CB-O 3.18Å; A680-K711 PolarHBondContact N-O 2.96Å; D685-K711 VanDerWaalsContact CG-CE 3.43Å; D685-K711 WeakPolarHBondContact OD1-CE 3.31Å; D685-K711 IonicContact OD1-NZ 2.77Å; D685-K711 PolarHBondContact OD1-NZ 3.17Å; D685-K711 WeakPolarHBondContact OD2-CE 3.05Å; D685-K711 IonicContact OD2-NZ 3.26Å; K711-N730 WeakPolarHBondContact CE-OD1 3.38Å; K711-N730 WeakPolarHBondContact CG-OD1 3.41Å |
| 712 | F | 85.3 | Confident | 71 | Confident | 1 Ų | 1 | 72.1 Ų | 72.1 | 0% | 0.004 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 142.6 | 173.8 | -73.9 | -101.8 | 0 | 0 | 0 | 110.1 | L586 T588 Y677 I678 E679 V710 E728 I729 V731 | L586-F712 HydrophobicContact CD2-CB 3.92Å; L586-F712 HydrophobicContact CD2-CD1 3.33Å; L586-F712 HydrophobicContact CD2-CD2 4.09Å; L586-F712 HydrophobicContact CD2-CE1 3.75Å; L586-F712 HydrophobicContact CD2-CE2 4.44Å; L586-F712 HydrophobicContact CD2-CG 3.51Å; L586-F712 HydrophobicContact CD2-CZ 4.27Å; L586-F712 WeakPolarHBondContact O-CZ 3.48Å; T588-F712 VanDerWaalsContact OG1-CZ 3.24Å; T588-F712 WeakPolarHBondContact OG1-CZ 3.17Å; Y677-F712 HydrophobicContact CD1-CB 4.39Å; I678-F712 VanDerWaalsContact C-CD1 3.48Å; I678-F712 CarbonylContact O-C 3.49Å; I678-F712 VanDerWaalsContact O-CA 3.25Å; I678-F712 WeakPolarHBondContact O-CA 3.43Å; E679-F712 HydrophobicContact CB-CD1 4.28Å; E679-F712 HydrophobicContact CB-CE1 3.92Å; E679-F712 HydrophobicContact CB-CZ 4.25Å; E679-F712 HydrophobicContact CG-CZ 4.48Å; V710-F712 HydrophobicContact CB-CE2 4.12Å; V710-F712 HydrophobicContact CG1-CD2 4.19Å; V710-F712 HydrophobicContact CG1-CE2 3.61Å; V710-F712 HydrophobicContact CG1-CZ 4.26Å; F712-E728 CarbonylContact O-C 3.51Å; F712-E728 WeakPolarHBondContact O-CA 3.41Å; F712-I729 PolarHBondContact N-O 2.93Å; F712-I729 PolarHBondContact O-N 2.86Å; F712-V731 HydrophobicContact CD2-CB 3.85Å; F712-V731 HydrophobicContact CD2-CG2 3.35Å; F712-V731 HydrophobicContact CE2-CB 3.7Å; F712-V731 HydrophobicContact CE2-CG1 4.18Å; F712-V731 HydrophobicContact CE2-CG2 3.51Å; F712-V731 HydrophobicContact CG-CG2 4.27Å; F712-V731 HydrophobicContact CZ-CG2 4.49Å |
| 713 | I | 79.7 | Confident | 68.6 | Low | 46 Ų | 46 | 71.3 Ų | 71.3 | 24% | 0.236 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 144.3 | 179.2 | 56.2 | 177.9 | 0 | 0 | 0 | 110.3 | Y677 I678 A680 E715 E728 | Y677-I713 WeakPolarHBondContact CA-O 3.45Å; I678-I713 HydrophobicContact CD1-CD1 4.34Å; I678-I713 HydrophobicContact CD1-CG1 4.26Å; I678-I713 HydrophobicContact CG1-CD1 4.3Å; I678-I713 HydrophobicContact CG1-CG1 3.7Å; I678-I713 PolarHBondContact N-O 2.76Å; I678-I713 PolarHBondContact O-N 2.92Å; A680-I713 HydrophobicContact CB-CG2 4.27Å; I713-E715 PolarHBondContact O-N 2.61Å; I713-E728 HydrophobicContact CG2-CG 4.25Å |
| 714 | V | 76.6 | Confident | 66.5 | Low | 18 Ų | 18 | 77.9 Ų | 77.9 | 11% | 0.109 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.8 | 133.2 | 173.5 | 152.6 | 0 | 0 | 0 | 0 | 111.2 | Y677 H716 E727 | Y677-V714 HydrophobicContact CD1-CG2 4.01Å; Y677-V714 HydrophobicContact CE1-CB 4.34Å; Y677-V714 HydrophobicContact CE1-CG2 3.35Å; Y677-V714 HydrophobicContact CE2-CG2 4.27Å; Y677-V714 VanDerWaalsContact CZ-CG2 3.47Å; V714-H716 PolarHBondContact O-N 3.18Å; V714-E727 HydrophobicContact CB-CB 4.21Å; V714-E727 HydrophobicContact CG2-CB 3.71Å; V714-E727 HydrophobicContact CG2-CG 4.07Å; V714-E727 PolarHBondContact N-O 2.9Å |
| 715 | E | 64.5 | Low | 64.2 | Low | 49 Ų | 49 | 84.6 Ų | 84.6 | 23% | 0.229 | 43% | 0.429 | C | S | . | . | trans | -76.9 | 95.9 | 169.7 | -163.9 | -166.2 | 141.7 | 0 | 0 | 109.2 | R585 S676 I713 R717 | R585-E715 IonicContact CZ-OE2 2.87Å; R585-E715 IonicContact NH1-OE2 3.94Å; R585-E715 IonicContact NH2-OE2 3.72Å; R585-E715 PolarHBondContact NH2-OE2 2.9Å; S676-E715 WeakPolarHBondContact CB-OE2 3.41Å; S676-E715 PolarHBondContact O-N 2.87Å; S676-E715 VanDerWaalsContact O-N 3.11Å; S676-E715 WeakPolarHBondContact OG-CB 3.29Å; S676-E715 PolarHBondContact OG-OE2 3.02Å; I713-E715 PolarHBondContact O-N 2.61Å; E715-R717 PolarHBondContact O-N 3.09Å; E715-R717 VanDerWaalsContact O-N 3.08Å; E715-R717 IonicContact OE1-CZ 3.1Å; E715-R717 IonicContact OE1-NE 2.69Å; E715-R717 PolarHBondContact OE1-NE 2.98Å; E715-R717 IonicContact OE1-NH2 3.19Å; E715-R717 PolarHBondContact OE1-NH2 3.39Å | ||
| 716 | H | 52.3 | Low | 62.4 | Low | 112 Ų | 112 | 86.9 Ų | 86.9 | 52% | 0.519 | 45% | 0.445 | S | S | . | . | trans | -66.5 | 106.9 | -178.9 | -87.8 | -86.4 | 0 | 0 | 0 | 112 | V714 | V714-H716 PolarHBondContact O-N 3.18Š| ||
| 717 | R | 45.5 | Very low | 61.3 | Low | 170 Ų | 170 | 88.4 Ų | 88.4 | 64% | 0.642 | 45% | 0.449 | S | S | * | . | trans | -94.1 | -18.7 | 171.5 | -75.4 | -171.4 | 178.6 | -175.8 | 2.2 | 115.6 | E715 | E715-R717 PolarHBondContact O-N 3.09Å; E715-R717 VanDerWaalsContact O-N 3.08Å; E715-R717 IonicContact OE1-CZ 3.1Å; E715-R717 IonicContact OE1-NE 2.69Å; E715-R717 PolarHBondContact OE1-NE 2.98Å; E715-R717 IonicContact OE1-NH2 3.19Å; E715-R717 PolarHBondContact OE1-NH2 3.39Å | ||
| 718 | D | 38.3 | Very low | 60.6 | Low | 147 Ų | 147 | 86.3 Ų | 86.3 | 79% | 0.786 | 44% | 0.439 | S | S | * | . | trans | -104 | 130.9 | -174.3 | -80.1 | -47.7 | 0 | 0 | 0 | 114.4 | ||||
| 719 | S | 36.2 | Very low | 60.5 | Low | 110 Ų | 110 | 85.1 Ų | 85.1 | 77% | 0.769 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -100.9 | 26.1 | -158.7 | 53.9 | 0 | 0 | 0 | 0 | 116.1 | ||
| 720 | N | 37.8 | Very low | 60.5 | Low | 126 Ų | 126 | 84.9 Ų | 84.9 | 67% | 0.674 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -136.9 | -5.7 | -178.2 | -78.2 | -81.4 | 0 | 0 | 0 | 117 | ||
| 721 | E | 38.7 | Very low | 60.8 | Low | 171 Ų | 171 | 84.6 Ų | 84.6 | 80% | 0.799 | 43% | 0.429 | S | S | * | . | trans | -125.3 | 89.8 | 176.3 | -69 | -169.7 | 170.4 | 0 | 0 | 111 | S723 | E721-S723 VanDerWaalsContact C-N 3.26Å; E721-S723 PolarHBondContact O-N 3.42Å | ||
| 722 | I | 36.8 | Very low | 61.3 | Low | 157 Ų | 157 | 84.4 Ų | 84.4 | 81% | 0.805 | 43% | 0.429 | S | S | * | . | trans | -73 | 87.3 | 167 | -57 | 169.8 | 0 | 0 | 0 | 107.6 | N724 | I722-N724 PolarHBondContact O-N 3.16Š| ||
| 723 | S | 40.3 | Very low | 61.7 | Low | 72 Ų | 72 | 84.4 Ų | 84.4 | 50% | 0.503 | 43% | 0.429 | S | S | . | . | trans | -60.4 | 124.6 | 154.1 | 176.8 | 0 | 0 | 0 | 0 | 107.4 | E721 F725 | E721-S723 VanDerWaalsContact C-N 3.26Å; E721-S723 PolarHBondContact O-N 3.42Å; S723-F725 PolarHBondContact O-N 2.69Å; S723-F725 PolarHBondContact OG-N 2.69Å; S723-F725 PolarHBondContact OG-O 3.5Å | ||
| 724 | N | 47.3 | Very low | 62.5 | Low | 139 Ų | 139 | 83.3 Ų | 83.3 | 74% | 0.743 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -65.8 | -2.4 | 178.3 | -83.5 | -24.7 | 0 | 0 | 0 | 113.8 | I722 | I722-N724 PolarHBondContact O-N 3.16Š|
| 725 | F | 46.1 | Very low | 63.4 | Low | 170 Ų | 170 | 82.5 Ų | 82.5 | 75% | 0.746 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -133.4 | 115 | 172.9 | -58.4 | -81.7 | 0 | 0 | 0 | 107.6 | S723 | S723-F725 PolarHBondContact O-N 2.69Å; S723-F725 PolarHBondContact OG-N 2.69Å; S723-F725 PolarHBondContact OG-O 3.5Å |
| 726 | P | 57.7 | Low | 64.9 | Low | 53 Ų | 53 | 82.1 Ų | 82.1 | 34% | 0.344 | 42% | 0.421 | S | S | . | . | trans | -62.7 | 152.1 | 169.2 | 28.4 | -33.5 | 0 | 0 | 0 | 109.2 | E728 | P726-E728 PolarHBondContact O-N 3.31Š| ||
| 727 | E | 69.7 | Low | 66.8 | Low | 65 Ų | 65 | 76.8 Ų | 76.8 | 30% | 0.304 | 40% | 0.397 | S | S | . | . | trans | -75.2 | 110.2 | 179.3 | 176.7 | 169.2 | -151.5 | 0 | 0 | 109.8 | R635 R675 V714 | R635-E727 IonicContact CZ-OE1 3.81Å; R635-E727 IonicContact NH1-OE1 3.81Å; R635-E727 PolarHBondContact NH1-OE1 2.78Å; R675-E727 IonicContact NH1-OE2 2.68Å; R675-E727 PolarHBondContact NH1-OE2 3.49Å; R675-E727 VanDerWaalsContact NH1-OE2 3.1Å; V714-E727 HydrophobicContact CB-CB 4.21Å; V714-E727 HydrophobicContact CG2-CB 3.71Å; V714-E727 HydrophobicContact CG2-CG 4.07Å; V714-E727 PolarHBondContact N-O 2.9Å | ||
| 728 | E | 77.6 | Confident | 68.6 | Low | 94 Ų | 94 | 73.8 Ų | 73.8 | 44% | 0.439 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 145.3 | 178.3 | -48 | -169.1 | 166.8 | 0 | 0 | 111.4 | R635 F712 I713 P726 | R635-E728 PolarHBondContact NH2-O 3.34Å; F712-E728 CarbonylContact O-C 3.51Å; F712-E728 WeakPolarHBondContact O-CA 3.41Å; I713-E728 HydrophobicContact CG2-CG 4.25Å; P726-E728 PolarHBondContact O-N 3.31Å |
| 729 | I | 85.6 | Confident | 70.7 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 129 | 168.5 | -70.6 | -175 | 0 | 0 | 0 | 108.6 | I633 E634 L673 Y677 F712 V731 | I633-I729 HydrophobicContact CG2-CG2 3.82Å; E634-I729 HydrophobicContact CB-CG2 4.36Å; L673-I729 HydrophobicContact CD1-CD1 4.37Å; L673-I729 HydrophobicContact CD2-CD1 4.2Å; Y677-I729 HydrophobicContact CD1-CB 4.48Å; Y677-I729 HydrophobicContact CD1-CD1 4.16Å; Y677-I729 HydrophobicContact CD1-CG1 4.31Å; Y677-I729 HydrophobicContact CE1-CB 4.27Å; Y677-I729 HydrophobicContact CE1-CD1 3.46Å; Y677-I729 VanDerWaalsContact CE1-CD1 3.46Å; Y677-I729 HydrophobicContact CE1-CG1 3.64Å; Y677-I729 HydrophobicContact CE2-CD1 3.94Å; F712-I729 PolarHBondContact N-O 2.93Å; F712-I729 PolarHBondContact O-N 2.86Å; I729-V731 HydrophobicContact CG2-CG2 4.33Å |
| 730 | N | 88 | Confident | 72.7 | Confident | 29 Ų | 29 | 70.1 Ų | 70.1 | 16% | 0.155 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 126.6 | 168.8 | -59.1 | -47.5 | 0 | 0 | 0 | 110.1 | E634 T709 K711 | E634-N730 HydrophobicContact CG-CB 4.14Å; E634-N730 PolarHBondContact N-O 2.99Å; E634-N730 VanDerWaalsContact N-O 3.13Å; E634-N730 WeakPolarHBondContact OE1-CB 3.38Å; E634-N730 PolarHBondContact OE1-ND2 2.96Å; T709-N730 HydrophobicContact CG2-CB 3.87Å; K711-N730 WeakPolarHBondContact CE-OD1 3.38Å; K711-N730 WeakPolarHBondContact CG-OD1 3.41Å |
| 731 | V | 89.5 | Confident | 74.8 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 108.2 | 173.2 | 171.5 | 0 | 0 | 0 | 0 | 107.7 | L586 F631 I633 T709 V710 F712 I729 | L586-V731 HydrophobicContact CB-CG2 4.18Å; L586-V731 HydrophobicContact CD1-CG2 4.18Å; L586-V731 HydrophobicContact CD2-CG2 4.34Å; L586-V731 HydrophobicContact CG-CG2 4.49Å; F631-V731 HydrophobicContact CD1-CG1 3.7Å; F631-V731 HydrophobicContact CE1-CG1 3.84Å; I633-V731 HydrophobicContact CD1-CG1 4.23Å; I633-V731 HydrophobicContact CD1-CG2 4.1Å; I633-V731 HydrophobicContact CG1-CG1 4.12Å; I633-V731 HydrophobicContact CG1-CG2 4.13Å; I633-V731 HydrophobicContact CG2-CG2 4.11Å; T709-V731 WeakPolarHBondContact CA-O 3.39Å; V710-V731 PolarHBondContact N-O 3.22Å; V710-V731 PolarHBondContact O-N 2.88Å; F712-V731 HydrophobicContact CD2-CB 3.85Å; F712-V731 HydrophobicContact CD2-CG2 3.35Å; F712-V731 HydrophobicContact CE2-CB 3.7Å; F712-V731 HydrophobicContact CE2-CG1 4.18Å; F712-V731 HydrophobicContact CE2-CG2 3.51Å; F712-V731 HydrophobicContact CG-CG2 4.27Å; F712-V731 HydrophobicContact CZ-CG2 4.49Å; I729-V731 HydrophobicContact CG2-CG2 4.33Å |
| 732 | H | 93.1 | Very high | 76.8 | Confident | 43 Ų | 43 | 57.5 Ų | 57.5 | 20% | 0.199 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 130.3 | 171.9 | -55.2 | 75.7 | 0 | 0 | 0 | 107.9 | F631 D632 E707 Q708 T709 | F631-H732 CarbonylContact C-O 3.51Å; F631-H732 WeakPolarHBondContact CA-O 3.21Å; D632-H732 HydrophobicContact CB-CB 4.19Å; D632-H732 PolarHBondContact N-O 2.86Å; D632-H732 WeakPolarHBondContact O-CB 3.49Å; D632-H732 PolarHBondContact O-N 3.04Å; D632-H732 PolarHBondContact O-ND1 2.84Å; E707-H732 HydrophobicContact CG-CB 4.43Å; Q708-H732 CarbonylContact O-C 3.49Å; Q708-H732 WeakPolarHBondContact O-CA 3.37Å; T709-H732 PolarHBondContact OG1-CD2 2.83Å; T709-H732 PolarHBondContact OG1-NE2 2.91Å |
| 733 | W | 94.5 | Very high | 78.9 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 0% | 0.004 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 150.3 | 177.5 | 74 | -86.7 | 0 | 0 | 0 | 111.3 | P589 I593 F629 Q630 F631 A693 F705 E707 Q708 A735 | P589-W733 HydrophobicContact CB-CD2 3.96Å; P589-W733 HydrophobicContact CB-CG 4.08Å; P589-W733 HydrophobicContact CB-CZ2 4.23Å; P589-W733 HydrophobicContact CG-CG 4.35Å; I593-W733 HydrophobicContact CD1-CH2 4.01Å; I593-W733 HydrophobicContact CG1-CH2 3.85Å; I593-W733 HydrophobicContact CG1-CZ3 4.32Å; F629-W733 HydrophobicContact CD1-CE3 4.15Å; F629-W733 HydrophobicContact CD1-CZ3 4.28Å; F629-W733 HydrophobicContact CE1-CZ3 4.32Å; Q630-W733 CarbonylContact O-C 3.57Å; Q630-W733 WeakPolarHBondContact O-CA 3.5Å; F631-W733 HydrophobicContact CD1-CB 3.8Å; F631-W733 HydrophobicContact CE1-CB 3.63Å; F631-W733 HydrophobicContact CE1-CG 4.36Å; F631-W733 HydrophobicContact CG-CB 4.34Å; F631-W733 HydrophobicContact CZ-CB 4.03Å; A693-W733 HydrophobicContact CB-CH2 4.23Å; A693-W733 HydrophobicContact CB-CZ2 4.28Å; F705-W733 HydrophobicContact CB-CH2 4.39Å; F705-W733 HydrophobicContact CB-CZ3 4.02Å; F705-W733 HydrophobicContact CD1-CH2 4.14Å; F705-W733 HydrophobicContact CD1-CZ3 4.37Å; F705-W733 HydrophobicContact CG-CZ3 4.32Å; E707-W733 CarbonylContact C-O 3.5Å; E707-W733 WeakPolarHBondContact CA-O 3.18Å; Q708-W733 HydrophobicContact CB-CZ2 4.29Å; Q708-W733 HydrophobicContact CG-CZ2 4.41Å; Q708-W733 PolarHBondContact N-O 3.04Å; Q708-W733 PolarHBondContact O-N 3.33Å; Q708-W733 VanDerWaalsContact OE1-CZ2 3.26Å; W733-A735 HydrophobicContact CZ3-CB 4.24Å |
| 734 | S | 96.1 | Very high | 80.9 | Confident | 24 Ų | 24 | 47.2 Ų | 47.2 | 17% | 0.168 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 168.3 | 168.7 | 61.5 | 0 | 0 | 0 | 0 | 109 | F629 Q630 | F629-S734 CarbonylContact C-O 3.56Å; F629-S734 VanDerWaalsContact CA-O 3.29Å; F629-S734 WeakPolarHBondContact CA-O 3.34Å; Q630-S734 PolarHBondContact N-O 3.18Å; Q630-S734 PolarHBondContact O-N 2.98Å |
| 735 | A | 96.7 | Very high | 82.3 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.008 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 150.2 | 176 | 0 | 0 | 0 | 0 | 0 | 113.6 | V627 L628 F629 F705 W733 | V627-A735 HydrophobicContact CG1-CB 4.19Å; L628-A735 CarbonylContact O-C 3.59Å; L628-A735 VanDerWaalsContact O-CA 3.24Å; L628-A735 WeakPolarHBondContact O-CA 3Å; F629-A735 HydrophobicContact CB-CB 4.43Å; F629-A735 HydrophobicContact CD1-CB 3.57Å; F629-A735 HydrophobicContact CE1-CB 3.95Å; F629-A735 HydrophobicContact CG-CB 4Å; F705-A735 HydrophobicContact CB-CB 4.02Å; F705-A735 HydrophobicContact CD2-CB 3.83Å; F705-A735 HydrophobicContact CG-CB 4.17Å; F705-A735 PolarHBondContact N-O 2.75Å; F705-A735 PolarHBondContact O-N 3.37Å; W733-A735 HydrophobicContact CZ3-CB 4.24Å |
| 736 | V | 95.7 | Very high | 83 | Confident | 40 Ų | 40 | 44.2 Ų | 44.2 | 24% | 0.242 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 125.9 | 171.1 | -177.5 | 0 | 0 | 0 | 0 | 109.1 | L628 R702 I703 V704 | L628-V736 PolarHBondContact N-O 3.17Å; L628-V736 PolarHBondContact O-N 2.87Å; R702-V736 HydrophobicContact CB-CG1 4.01Å; I703-V736 CarbonylContact O-C 3.48Å; I703-V736 WeakPolarHBondContact O-CA 3.21Å; V704-V736 HydrophobicContact CG2-CG1 4.45Å; V704-V736 HydrophobicContact CG2-CG2 4.41Å |
| 737 | A | 92.5 | Very high | 83.1 | Confident | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.008 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 143.5 | 172 | 0 | 0 | 0 | 0 | 0 | 112.3 | F625 K626 V627 I703 | F625-A737 HydrophobicContact CE1-CB 4.32Å; F625-A737 HydrophobicContact CE2-CB 4.13Å; F625-A737 HydrophobicContact CZ-CB 3.7Å; K626-A737 WeakPolarHBondContact O-CA 3.47Å; K626-A737 WeakPolarHBondContact O-CB 3.29Å; V627-A737 HydrophobicContact CB-CB 4.19Å; V627-A737 HydrophobicContact CG1-CB 4.11Å; V627-A737 HydrophobicContact CG2-CB 3.85Å; I703-A737 HydrophobicContact CB-CB 4.15Å; I703-A737 HydrophobicContact CD1-CB 4.41Å; I703-A737 PolarHBondContact N-O 2.77Å; I703-A737 PolarHBondContact O-N 3.05Å |
| 738 | E | 83.2 | Confident | 82.7 | Confident | 106 Ų | 106 | 43.3 Ų | 43.3 | 50% | 0.495 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 138.6 | -179.8 | -60.5 | -170.2 | 165.9 | 0 | 0 | 110 | K626 R702 | K626-E738 PolarHBondContact O-N 2.92Å; R702-E738 WeakPolarHBondContact CD-OE1 3.09Å; R702-E738 HydrophobicContact CG-CG 4.13Å |
| 739 | S | 81.3 | Confident | 81.9 | Confident | 31 Ų | 31 | 41.4 Ų | 41.4 | 22% | 0.217 | 22% | 0.219 | C | C | . | . | trans | -149.9 | 143.5 | -178.6 | 178 | 0 | 0 | 0 | 0 | 110.1 | L617 S741 | L617-S739 PolarHBondContact O-OG 2.96Å; S739-S741 PolarHBondContact O-N 3.49Å; S739-S741 PolarHBondContact OG-N 2.66Å | ||
| 740 | E | 78.3 | Confident | 81.2 | Confident | 149 Ų | 149 | 41.8 Ų | 41.8 | 70% | 0.696 | 22% | 0.221 | S | C | * | . | trans | -80.8 | 31.1 | 174.2 | -60.5 | -176.4 | 139.3 | 0 | 0 | 112.3 | R623 | R623-E740 WeakPolarHBondContact CD-OE2 3.47Å; R623-E740 IonicContact CZ-OE2 2.67Å; R623-E740 IonicContact NE-OE2 2.78Å; R623-E740 IonicContact NH1-OE2 3.95Å; R623-E740 PolarHBondContact NH1-OE2 2.68Å | ||
| 741 | S | 82.8 | Confident | 80.4 | Confident | 4 Ų | 4 | 42.3 Ų | 42.3 | 3% | 0.028 | 23% | 0.226 | C | C | . | . | trans | -72.8 | 137.9 | 177.6 | -175.1 | 0 | 0 | 0 | 0 | 111.1 | L617 S739 L743 L744 | L617-S741 WeakPolarHBondContact O-CB 3.4Å; L617-S741 PolarHBondContact O-OG 3.22Å; S739-S741 PolarHBondContact O-N 3.49Å; S739-S741 PolarHBondContact OG-N 2.66Å; S741-L743 PolarHBondContact O-N 3.05Å; S741-L743 PolarHBondContact OG-N 2.74Å; S741-L744 PolarHBondContact O-N 2.87Å | ||
| 742 | C | 80.4 | Confident | 79.9 | Confident | 29 Ų | 29 | 44.8 Ų | 44.8 | 20% | 0.196 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -63.6 | -25.4 | 175.5 | 64.6 | 0 | 0 | 0 | 0 | 112.5 | C510 L744 K745 | C510-C742 WeakPolarHBondContact CA-SG 3.47Å; C510-C742 HydrophobicContact CB-CB 3.6Å; C510-C742 WeakPolarHBondContact CB-SG 3.46Å; C510-C742 WeakPolarHBondContact SG-CB 3.38Å; C510-C742 CovalentContact SG-SG 2.04Å; C510-C742 PolarHBondContact SG-SG 2.81Å; C742-L744 PolarHBondContact O-N 2.85Å; C742-K745 WeakPolarHBondContact O-CB 3.47Å; C742-K745 PolarHBondContact O-N 2.9Å |
| 743 | L | 80.9 | Confident | 79.4 | Confident | 5 Ų | 5 | 45.3 Ų | 45.3 | 3% | 0.026 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -62.9 | -20.6 | 172.3 | -73.5 | 178 | 0 | 0 | 0 | 114 | I512 Y612 T616 L617 S741 S748 I750 | I512-L743 HydrophobicContact CG2-CD1 4.35Å; I512-L743 HydrophobicContact CG2-CD2 3.6Å; I512-L743 HydrophobicContact CG2-CG 4Å; Y612-L743 HydrophobicContact CD1-CD1 4.11Å; Y612-L743 HydrophobicContact CE1-CD1 4.31Å; T616-L743 HydrophobicContact CG2-CD1 4.02Å; L617-L743 HydrophobicContact CD2-CD1 4.42Å; S741-L743 PolarHBondContact O-N 3.05Å; S741-L743 PolarHBondContact OG-N 2.74Å; L743-S748 VanDerWaalsContact O-CB 3.28Å; L743-S748 WeakPolarHBondContact O-CB 3.33Å; L743-S748 PolarHBondContact O-OG 3.03Å; L743-I750 HydrophobicContact CB-CD1 3.81Å; L743-I750 HydrophobicContact CD1-CD1 4.25Å; L743-I750 HydrophobicContact CD2-CD1 3.93Å; L743-I750 HydrophobicContact CD2-CG1 4.13Å; L743-I750 HydrophobicContact CG-CD1 4.22Å |
| 744 | L | 82.8 | Confident | 79 | Confident | 8 Ų | 8 | 50.7 Ų | 50.7 | 4% | 0.042 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -99 | -3.4 | -179.1 | -63.5 | -178.7 | 0 | 0 | 0 | 113.1 | L617 I697 G701 I703 S741 C742 | L617-L744 HydrophobicContact CD2-CD2 4.3Å; I697-L744 HydrophobicContact CD1-CD2 3.82Å; I697-L744 HydrophobicContact CG1-CD2 4.18Å; I697-L744 HydrophobicContact CG2-CD2 3.84Å; G701-L744 WeakPolarHBondContact CA-O 3.31Å; G701-L744 WeakPolarHBondContact O-CB 3.31Å; G701-L744 WeakPolarHBondContact O-CD1 3.26Å; I703-L744 HydrophobicContact CD1-CD1 4.32Å; I703-L744 HydrophobicContact CG1-CD1 4.33Å; I703-L744 HydrophobicContact CG1-CD2 4.13Å; S741-L744 PolarHBondContact O-N 2.87Å; C742-L744 PolarHBondContact O-N 2.85Å |
| 745 | K | 75.2 | Confident | 78.6 | Confident | 81 Ų | 81 | 53.2 Ų | 53.2 | 35% | 0.352 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -65.8 | 168.4 | 179.1 | -75.5 | -177.2 | 155.8 | -149.3 | 0 | 112.8 | V505 D506 C742 V747 | V505-K745 HydrophobicContact CG1-CB 3.96Å; V505-K745 HydrophobicContact CG1-CD 3.62Å; V505-K745 HydrophobicContact CG1-CG 4.46Å; D506-K745 WeakPolarHBondContact OD2-CD 3.41Å; D506-K745 IonicContact OD2-NZ 2.72Å; D506-K745 PolarHBondContact OD2-NZ 3.4Å; C742-K745 WeakPolarHBondContact O-CB 3.47Å; C742-K745 PolarHBondContact O-N 2.9Å; K745-V747 VanDerWaalsContact C-N 3.31Å; K745-V747 PolarHBondContact O-N 2.84Å |
| 746 | Q | 61.7 | Low | 78.2 | Confident | 164 Ų | 164 | 53.5 Ų | 53.5 | 77% | 0.766 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -63.5 | -36.6 | -176.9 | -124.2 | 177.4 | 0.7 | 0 | 0 | 113.4 | ||
| 747 | V | 60.5 | Low | 77.9 | Confident | 76 Ų | 76 | 52.5 Ų | 52.5 | 46% | 0.461 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -100.9 | 85.8 | 173.1 | -174.6 | 0 | 0 | 0 | 0 | 108.3 | V505 K745 | V505-V747 HydrophobicContact CG1-CB 4.43Å; V505-V747 WeakPolarHBondContact CG1-O 3.3Å; V505-V747 WeakPolarHBondContact CG2-O 3.24Å; K745-V747 VanDerWaalsContact C-N 3.31Å; K745-V747 PolarHBondContact O-N 2.84Å |
| 748 | S | 60.9 | Low | 77.7 | Confident | 24 Ų | 24 | 52.5 Ų | 52.5 | 17% | 0.168 | 27% | 0.265 | C | S | . | . | trans | -124.2 | 153.9 | 179.4 | 179.3 | 0 | 0 | 0 | 0 | 110.3 | L743 I750 | L743-S748 VanDerWaalsContact O-CB 3.28Å; L743-S748 WeakPolarHBondContact O-CB 3.33Å; L743-S748 PolarHBondContact O-OG 3.03Å; S748-I750 PolarHBondContact OG-N 3.43Å | ||
| 749 | S | 60.2 | Low | 77.7 | Confident | 53 Ų | 53 | 49 Ų | 49 | 37% | 0.371 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -75.4 | -9.9 | 170.8 | 46.1 | 0 | 0 | 0 | 0 | 113.4 | ||
| 750 | I | 70.9 | Confident | 77.6 | Confident | 9 Ų | 9 | 48.6 Ų | 48.6 | 5% | 0.046 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -83.1 | 129.5 | 179.4 | -48.2 | -172.6 | 0 | 0 | 0 | 110.6 | Y612 L617 I697 L743 S748 K752 Y756 | Y612-I750 HydrophobicContact CD2-CD1 3.52Å; Y612-I750 HydrophobicContact CD2-CG1 3.87Å; Y612-I750 HydrophobicContact CE2-CD1 3.84Å; Y612-I750 HydrophobicContact CE2-CG1 3.71Å; Y612-I750 HydrophobicContact CG-CD1 4.08Å; L617-I750 HydrophobicContact CD2-CD1 3.49Å; L617-I750 VanDerWaalsContact CD2-CD1 3.49Å; I697-I750 HydrophobicContact CD1-CB 4.28Å; I697-I750 HydrophobicContact CD1-CD1 4.05Å; I697-I750 HydrophobicContact CD1-CG2 3.7Å; L743-I750 HydrophobicContact CB-CD1 3.81Å; L743-I750 HydrophobicContact CD1-CD1 4.25Å; L743-I750 HydrophobicContact CD2-CD1 3.93Å; L743-I750 HydrophobicContact CD2-CG1 4.13Å; L743-I750 HydrophobicContact CG-CD1 4.22Å; S748-I750 PolarHBondContact OG-N 3.43Å; I750-K752 PolarHBondContact O-N 2.77Å; I750-Y756 HydrophobicContact CG2-CE2 4.35Å; I750-Y756 VanDerWaalsContact CG2-OH 3.28Å; I750-Y756 WeakPolarHBondContact CG2-OH 3.34Å |
| 751 | P | 71.8 | Confident | 76.8 | Confident | 40 Ų | 40 | 45.6 Ų | 45.6 | 26% | 0.26 | 23% | 0.227 | S | C | . | . | P | Polyproline II helix | trans | -53.6 | 127.7 | 172 | -26.8 | 35.2 | 0 | 0 | 0 | 112.5 | E754 | P751-E754 HydrophobicContact CB-CB 3.97Å; P751-E754 HydrophobicContact CB-CG 3.58Å |
| 752 | K | 79.5 | Confident | 75.6 | Confident | 51 Ų | 51 | 52 Ų | 52 | 22% | 0.222 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -91.4 | 145.4 | 177.1 | -76.5 | -176.7 | 158.8 | -168.7 | 0 | 111.2 | D699 I750 E754 | D699-K752 PolarHBondContact O-NZ 2.9Å; I750-K752 PolarHBondContact O-N 2.77Å; K752-E754 PolarHBondContact O-N 2.91Å; K752-E754 VanDerWaalsContact O-N 3.17Å |
| 753 | N | 82.3 | Confident | 74.3 | Confident | 55 Ų | 55 | 59.5 Ų | 59.5 | 29% | 0.294 | 29% | 0.285 | S | S | . | . | S | Bend | trans | 61.9 | 1.8 | -173.3 | -71.4 | -63.7 | 0 | 0 | 0 | 116.6 | K696 I697 D699 | K696-N753 PolarHBondContact NZ-OD1 3.01Å; I697-N753 PolarHBondContact O-N 3.07Å; D699-N753 PolarHBondContact OD1-ND2 3.22Å; D699-N753 VanDerWaalsContact OD1-ND2 3.08Å; D699-N753 PolarHBondContact OD2-ND2 3.28Å |
| 754 | E | 85.8 | Confident | 73.4 | Confident | 114 Ų | 114 | 60.2 Ų | 60.2 | 53% | 0.533 | 29% | 0.294 | S | S | . | . | trans | -77.1 | 149.5 | 171.3 | -66.4 | -55.9 | 152.8 | 0 | 0 | 112.5 | K696 P751 K752 | K696-E754 WeakPolarHBondContact CA-O 3.45Å; K696-E754 WeakPolarHBondContact CB-O 3.41Å; P751-E754 HydrophobicContact CB-CB 3.97Å; P751-E754 HydrophobicContact CB-CG 3.58Å; K752-E754 PolarHBondContact O-N 2.91Å; K752-E754 VanDerWaalsContact O-N 3.17Å | ||
| 755 | W | 88 | Confident | 72.8 | Confident | 77 Ų | 77 | 64.9 Ų | 64.9 | 29% | 0.292 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 130.2 | -175.3 | -70.3 | 108.5 | 0 | 0 | 0 | 112.5 | N694 Y695 K696 P706 Y757 | N694-W755 HydrophobicContact CB-CE3 4.42Å; Y695-W755 VanDerWaalsContact C-CE3 3.49Å; K696-W755 HydrophobicContact CB-CD2 4.13Å; K696-W755 HydrophobicContact CB-CE3 3.72Å; K696-W755 HydrophobicContact CB-CH2 4.43Å; K696-W755 HydrophobicContact CB-CZ3 3.86Å; K696-W755 HydrophobicContact CD-CD2 4.33Å; K696-W755 HydrophobicContact CD-CE3 4.31Å; K696-W755 HydrophobicContact CD-CH2 3.69Å; K696-W755 HydrophobicContact CD-CZ2 3.74Å; K696-W755 HydrophobicContact CD-CZ3 3.97Å; K696-W755 HydrophobicContact CG-CD2 4.49Å; K696-W755 HydrophobicContact CG-CE3 4.02Å; K696-W755 HydrophobicContact CG-CH2 3.81Å; K696-W755 HydrophobicContact CG-CZ2 4.33Å; K696-W755 HydrophobicContact CG-CZ3 3.62Å; P706-W755 HydrophobicContact CB-CH2 3.85Å; P706-W755 HydrophobicContact CB-CZ3 4.32Å; P706-W755 HydrophobicContact CG-CH2 3.82Å; P706-W755 HydrophobicContact CG-CZ3 3.82Å; W755-Y757 HydrophobicContact CB-CE1 4.41Å; W755-Y757 HydrophobicContact CB-CE2 3.62Å; W755-Y757 VanDerWaalsContact CB-OH 3.26Å; W755-Y757 WeakPolarHBondContact CB-OH 3.09Å; W755-Y757 WeakPolarHBondContact O-CE2 3.43Å |
| 756 | Y | 88.3 | Confident | 72.9 | Confident | 6 Ų | 6 | 62.7 Ų | 62.7 | 2% | 0.024 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 145.3 | 167.4 | -61.3 | -76.3 | 0 | 0 | 0 | 110.1 | V611 N694 Y695 I750 L788 A789 | V611-Y756 HydrophobicContact CG1-CD1 3.7Å; V611-Y756 HydrophobicContact CG1-CE1 3.95Å; N694-Y756 CarbonylContact C-O 3.59Å; N694-Y756 WeakPolarHBondContact CA-O 3.42Å; N694-Y756 VanDerWaalsContact CB-O 3.26Å; N694-Y756 WeakPolarHBondContact CB-O 3.29Å; Y695-Y756 HydrophobicContact CD2-CD2 4.13Å; Y695-Y756 AromaticContact CE2-CD2 3.67Å; Y695-Y756 HydrophobicContact CE2-CD2 3.67Å; Y695-Y756 AromaticContact CE2-CG 3.96Å; Y695-Y756 HydrophobicContact CE2-CG 3.96Å; Y695-Y756 PolarHBondContact N-O 3.01Å; Y695-Y756 PolarHBondContact O-N 2.89Å; I750-Y756 HydrophobicContact CG2-CE2 4.35Å; I750-Y756 VanDerWaalsContact CG2-OH 3.28Å; I750-Y756 WeakPolarHBondContact CG2-OH 3.34Å; Y756-L788 CarbonylContact C-O 3.58Å; Y756-L788 WeakPolarHBondContact CA-O 3.27Å; Y756-A789 HydrophobicContact CD1-CB 4.09Å; Y756-A789 HydrophobicContact CE1-CB 3.96Å |
| 757 | Y | 88.6 | Confident | 73.6 | Confident | 20 Ų | 20 | 57.5 Ų | 57.5 | 8% | 0.078 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 136.6 | -169.9 | -58.3 | -95.5 | 0 | 0 | 0 | 110.8 | Y691 N694 W755 L788 T790 E791 | Y691-Y757 AromaticContact CD1-CD1 3.88Å; Y691-Y757 HydrophobicContact CD1-CD1 3.88Å; Y691-Y757 AromaticContact CD2-CD1 3.89Å; Y691-Y757 HydrophobicContact CD2-CD1 3.89Å; Y691-Y757 AromaticContact CE1-CD1 3.75Å; Y691-Y757 HydrophobicContact CE1-CD1 3.75Å; Y691-Y757 AromaticContact CE1-CE1 3.93Å; Y691-Y757 HydrophobicContact CE1-CE1 3.93Å; Y691-Y757 AromaticContact CE2-CD1 3.74Å; Y691-Y757 HydrophobicContact CE2-CD1 3.74Å; Y691-Y757 HydrophobicContact CE2-CE1 4.09Å; Y691-Y757 AromaticContact CG-CD1 3.92Å; Y691-Y757 HydrophobicContact CG-CD1 3.92Å; Y691-Y757 AromaticContact CZ-CD1 3.61Å; Y691-Y757 AromaticContact CZ-CE1 3.63Å; N694-Y757 HydrophobicContact CB-CD1 3.65Å; N694-Y757 HydrophobicContact CB-CE1 3.95Å; N694-Y757 HydrophobicContact CB-CG 4.29Å; W755-Y757 HydrophobicContact CB-CE1 4.41Å; W755-Y757 HydrophobicContact CB-CE2 3.62Å; W755-Y757 VanDerWaalsContact CB-OH 3.26Å; W755-Y757 WeakPolarHBondContact CB-OH 3.09Å; W755-Y757 WeakPolarHBondContact O-CE2 3.43Å; Y757-L788 PolarHBondContact N-O 2.85Å; Y757-L788 WeakPolarHBondContact O-CD1 3.18Å; Y757-L788 PolarHBondContact O-N 2.78Å; Y757-T790 VanDerWaalsContact CD2-O 3.24Å; Y757-T790 WeakPolarHBondContact CD2-O 3.44Å; Y757-T790 VanDerWaalsContact CE2-C 3.45Å; Y757-E791 HydrophobicContact CD1-CB 4.36Å; Y757-E791 HydrophobicContact CD1-CG 4.15Å; Y757-E791 HydrophobicContact CE1-CB 3.73Å; Y757-E791 HydrophobicContact CE1-CG 3.59Å; Y757-E791 VanDerWaalsContact CE2-CA 3.46Å; Y757-E791 HydrophobicContact CE2-CB 3.95Å |
| 758 | I | 88 | Confident | 74.3 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 115.3 | 179.7 | -58.2 | 175.2 | 0 | 0 | 0 | 108.3 | I593 S596 Y692 A693 Y695 F705 L760 P785 L786 L787 | I593-I758 HydrophobicContact CD1-CD1 4.1Å; S596-I758 WeakPolarHBondContact OG-CG2 3.47Å; Y692-I758 PolarHBondContact N-O 2.93Å; A693-I758 HydrophobicContact CB-CB 4.41Å; A693-I758 PolarHBondContact N-O 3.1Å; A693-I758 PolarHBondContact O-N 3.02Å; Y695-I758 HydrophobicContact CD1-CD1 4.06Å; Y695-I758 HydrophobicContact CD1-CG1 4.32Å; Y695-I758 HydrophobicContact CE1-CD1 4.11Å; Y695-I758 HydrophobicContact CE1-CG1 4.18Å; F705-I758 HydrophobicContact CE1-CD1 4.12Å; I758-L760 HydrophobicContact CG2-CD2 4.43Å; I758-P785 HydrophobicContact CG2-CB 4.48Å; I758-L786 WeakPolarHBondContact CA-O 3.33Å; I758-L787 HydrophobicContact CG1-CD1 4.08Å |
| 759 | R | 83.8 | Confident | 75 | Confident | 33 Ų | 33 | 57.3 Ų | 57.3 | 13% | 0.125 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 125.4 | 176.6 | -175.4 | 173.7 | -178.9 | 159.2 | 4.7 | 109.2 | L786 L788 S793 P794 D796 | R759-L786 PolarHBondContact N-O 3.02Å; R759-L786 PolarHBondContact O-N 3.5Å; R759-L788 HydrophobicContact CB-CD1 3.93Å; R759-S793 PolarHBondContact NH1-O 2.05Å; R759-P794 PolarHBondContact NH1-O 2.88Å; R759-P794 PolarHBondContact NH2-O 3.33Å; R759-D796 PolarHBondContact NH1-O 3.42Å |
| 760 | L | 78.2 | Confident | 75.4 | Confident | 22 Ų | 22 | 56.5 Ų | 56.5 | 12% | 0.115 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 119.3 | 172.7 | -52.5 | 177.7 | 0 | 0 | 0 | 108 | H592 Y692 I758 D783 P785 | H592-L760 HydrophobicContact CB-CD1 4.47Å; Y692-L760 HydrophobicContact CD1-CD1 4.19Å; Y692-L760 HydrophobicContact CD2-CD1 3.86Å; Y692-L760 HydrophobicContact CE2-CD1 4.46Å; Y692-L760 HydrophobicContact CG-CD1 3.72Å; Y692-L760 HydrophobicContact CG-CG 4.19Å; I758-L760 HydrophobicContact CG2-CD2 4.43Å; L760-D783 HydrophobicContact CD2-CB 4.21Å; L760-P785 HydrophobicContact CD2-CB 3.98Å |
| 761 | K | 63.4 | Low | 75 | Confident | 86 Ų | 86 | 57.1 Ų | 57.1 | 37% | 0.374 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | 140.8 | 179.1 | -170.2 | -163.2 | 178.4 | -168.9 | 0 | 110.1 | R763 E784 L786 | K761-R763 PolarHBondContact O-N 2.73Å; K761-E784 HydrophobicContact CB-CB 4.18Å; K761-E784 HydrophobicContact CB-CG 4.19Å; K761-E784 WeakPolarHBondContact CB-O 3.08Å; K761-E784 HydrophobicContact CD-CB 4.45Å; K761-E784 HydrophobicContact CD-CG 3.91Å; K761-E784 VanDerWaalsContact CD-OE1 3.24Å; K761-E784 WeakPolarHBondContact CD-OE1 3.43Å; K761-E784 VanDerWaalsContact CD-OE2 3.22Å; K761-E784 WeakPolarHBondContact CD-OE2 3.44Å; K761-E784 PolarHBondContact N-O 2.8Å; K761-E784 IonicContact NZ-OE1 3.89Å; K761-E784 PolarHBondContact NZ-OE1 2.89Å; K761-E784 IonicContact NZ-OE2 2.9Å; K761-E784 PolarHBondContact NZ-OE2 3.21Å; K761-L786 HydrophobicContact CB-CD1 4.42Å |
| 762 | D | 57.1 | Low | 74.2 | Confident | 139 Ų | 139 | 56.3 Ų | 56.3 | 74% | 0.743 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.6 | 22.4 | 179.2 | -59.7 | -28.3 | 0 | 0 | 0 | 117.2 | ||
| 763 | R | 52.7 | Low | 72.6 | Confident | 186 Ų | 186 | 57.8 Ų | 57.8 | 70% | 0.702 | 29% | 0.292 | S | S | * | . | trans | 67 | 99.8 | -175.7 | -51.1 | 178 | -174 | 179.1 | 0.2 | 112.6 | K761 | K761-R763 PolarHBondContact O-N 2.73Š| ||
| 764 | G | 61.6 | Low | 71.8 | Confident | 20 Ų | 20 | 59.8 Ų | 59.8 | 21% | 0.206 | 30% | 0.302 | C | S | . | . | trans | -51.6 | 148.2 | 160.4 | 0 | 0 | 0 | 0 | 0 | 112 | V782 D783 | G764-V782 WeakPolarHBondContact CA-O 3.36Å; G764-D783 WeakPolarHBondContact CA-OD1 3.49Å | ||
| 765 | Y | 69.8 | Low | 70.8 | Confident | 107 Ų | 107 | 56 Ų | 56 | 42% | 0.42 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 152 | -177.6 | 74.9 | -87.1 | 0 | 0 | 0 | 112.1 | F780 C781 V782 | Y765-F780 HydrophobicContact CE2-CE2 4.38Å; Y765-C781 CarbonylContact O-C 3.52Å; Y765-C781 WeakPolarHBondContact O-CA 3.2Å; Y765-V782 HydrophobicContact CE1-CB 4.21Å; Y765-V782 PolarHBondContact N-O 2.9Å; Y765-V782 PolarHBondContact O-N 3.13Å |
| 766 | C | 77.5 | Confident | 70.1 | Confident | 34 Ų | 34 | 52.7 Ų | 52.7 | 23% | 0.23 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 145.3 | 167.6 | -59.2 | 0 | 0 | 0 | 0 | 110.5 | T588 H592 F780 C781 | T588-C766 WeakPolarHBondContact CB-SG 3.36Å; T588-C766 HydrophobicContact CG2-CB 3.62Å; T588-C766 WeakPolarHBondContact CG2-SG 3.26Å; H592-C766 VanDerWaalsContact CE1-SG 3.58Å; H592-C766 PolarHBondContact NE2-SG 3.42Å; C766-F780 CarbonylContact C-O 3.56Å; C766-F780 VanDerWaalsContact CA-O 3.26Å; C766-F780 WeakPolarHBondContact CA-O 3.22Å; C766-C781 HydrophobicContact CB-CB 4.1Å; C766-C781 WeakPolarHBondContact CB-SG 3.38Å; C766-C781 WeakPolarHBondContact SG-CB 3.15Å; C766-C781 CovalentContact SG-SG 2.03Å; C766-C781 PolarHBondContact SG-SG 2.72Å |
| 767 | S | 77.6 | Confident | 69.6 | Low | 55 Ų | 55 | 52.4 Ų | 52.4 | 39% | 0.385 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 166.9 | 176.4 | -166.1 | 0 | 0 | 0 | 0 | 110 | F780 | S767-F780 PolarHBondContact N-O 3.22Å; S767-F780 WeakPolarHBondContact O-CD1 3.31Å; S767-F780 PolarHBondContact O-N 2.81Å; S767-F780 VanDerWaalsContact O-O 3.09Å |
| 768 | E | 74 | Confident | 69.4 | Low | 38 Ų | 38 | 53.6 Ų | 53.6 | 18% | 0.178 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 145.9 | 174.9 | 67.6 | 171.6 | -175.1 | 0 | 0 | 112.5 | R585 N778 | R585-E768 IonicContact CZ-OE1 2.68Å; R585-E768 IonicContact CZ-OE2 3.35Å; R585-E768 IonicContact NE-OE2 2.74Å; R585-E768 PolarHBondContact NE-OE2 2.77Å; R585-E768 IonicContact NH1-OE1 2.67Å; R585-E768 PolarHBondContact NH1-OE1 3.48Å; R585-E768 IonicContact NH1-OE2 3.24Å; R585-E768 PolarHBondContact NH1-OE2 2.72Å; R585-E768 IonicContact NH2-OE1 3.89Å; R585-E768 IonicContact NH2-OE2 3.9Å; E768-N778 CarbonylContact C-O 3.36Å; E768-N778 WeakPolarHBondContact CA-O 3.49Å |
| 769 | D | 76.4 | Confident | 69.3 | Low | 59 Ų | 59 | 54 Ų | 54 | 32% | 0.316 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 103.7 | 170.6 | 171.7 | 26.8 | 0 | 0 | 0 | 109.8 | S771 C777 N778 F780 | D769-S771 VanDerWaalsContact C-N 3.34Å; D769-S771 WeakPolarHBondContact OD1-CB 3.46Å; D769-S771 PolarHBondContact OD1-N 2.72Å; D769-S771 PolarHBondContact OD1-OG 3.47Å; D769-C777 CarbonylContact O-C 3.54Å; D769-C777 VanDerWaalsContact O-CA 3.3Å; D769-C777 WeakPolarHBondContact O-CA 3.3Å; D769-N778 PolarHBondContact N-O 3.36Å; D769-N778 PolarHBondContact O-N 3.26Å; D769-F780 HydrophobicContact CB-CE1 4.22Å |
| 770 | C | 68.4 | Low | 69.4 | Low | 35 Ų | 35 | 55.2 Ų | 55.2 | 24% | 0.236 | 30% | 0.297 | C | S | . | . | trans | -93.3 | 26.3 | 178.5 | -67.2 | 0 | 0 | 0 | 0 | 114 | A772 S776 C777 | C770-A772 VanDerWaalsContact C-N 3.28Å; C770-A772 PolarHBondContact O-N 2.84Å; C770-S776 CarbonylContact C-O 3.5Å; C770-C777 VanDerWaalsContact CA-SG 3.59Å; C770-C777 HydrophobicContact CB-CB 4.05Å; C770-C777 WeakPolarHBondContact CB-SG 3.38Å; C770-C777 WeakPolarHBondContact SG-CB 3.08Å; C770-C777 CovalentContact SG-SG 2.04Å; C770-C777 PolarHBondContact SG-SG 3.31Å | ||
| 771 | S | 62.1 | Low | 69.9 | Low | 23 Ų | 23 | 54.1 Ų | 54.1 | 16% | 0.161 | 29% | 0.292 | C | S | . | . | trans | -82.5 | 7.6 | -174.8 | -53.3 | 0 | 0 | 0 | 0 | 114.9 | D769 | D769-S771 VanDerWaalsContact C-N 3.34Å; D769-S771 WeakPolarHBondContact OD1-CB 3.46Å; D769-S771 PolarHBondContact OD1-N 2.72Å; D769-S771 PolarHBondContact OD1-OG 3.47Å | ||
| 772 | A | 55.2 | Low | 70.9 | Confident | 22 Ų | 22 | 50.8 Ų | 50.8 | 18% | 0.182 | 28% | 0.278 | C | S | . | . | trans | -76.3 | 149.1 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | C770 D774 G775 S776 | C770-A772 VanDerWaalsContact C-N 3.28Å; C770-A772 PolarHBondContact O-N 2.84Å; A772-D774 VanDerWaalsContact C-N 3.27Å; A772-D774 WeakPolarHBondContact CB-OD1 3.49Å; A772-D774 PolarHBondContact O-N 3.2Å; A772-D774 VanDerWaalsContact O-N 3.14Å; A772-G775 PolarHBondContact O-N 2.81Å; A772-S776 WeakPolarHBondContact CB-O 3.44Å; A772-S776 WeakPolarHBondContact CB-OG 3.48Å; A772-S776 PolarHBondContact N-O 3.06Å | ||
| 773 | P | 46.2 | Very low | 72.3 | Confident | 82 Ų | 82 | 44.4 Ų | 44.4 | 53% | 0.532 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -35.7 | -173.2 | -21.9 | 25 | 0 | 0 | 0 | 116.6 | V285 G775 | V285-P773 HydrophobicContact CB-CB 3.66Å; V285-P773 HydrophobicContact CB-CG 4.11Å; V285-P773 HydrophobicContact CG1-CB 3.71Å; V285-P773 HydrophobicContact CG1-CG 3.9Å; V285-P773 HydrophobicContact CG2-CB 3.8Å; V285-P773 HydrophobicContact CG2-CG 3.82Å; P773-G775 VanDerWaalsContact C-N 3.27Å |
| 774 | D | 64.5 | Low | 73.8 | Confident | 97 Ų | 97 | 38 Ų | 38 | 52% | 0.519 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 2.7 | -176.3 | 67 | -34.7 | 0 | 0 | 0 | 112.4 | Q575 A772 S776 | Q575-D774 PolarHBondContact NE2-O 3.34Å; Q575-D774 PolarHBondContact NE2-OD2 3.21Å; Q575-D774 PolarHBondContact OE1-O 2.86Å; A772-D774 VanDerWaalsContact C-N 3.27Å; A772-D774 WeakPolarHBondContact CB-OD1 3.49Å; A772-D774 PolarHBondContact O-N 3.2Å; A772-D774 VanDerWaalsContact O-N 3.14Å; D774-S776 VanDerWaalsContact C-N 3.32Å; D774-S776 VanDerWaalsContact CG-OG 3.32Å; D774-S776 WeakPolarHBondContact OD1-CB 3.41Å; D774-S776 PolarHBondContact OD1-N 2.82Å; D774-S776 VanDerWaalsContact OD1-N 3.14Å; D774-S776 PolarHBondContact OD1-OG 2.64Å; D774-S776 WeakPolarHBondContact OD2-CB 3.26Å; D774-S776 PolarHBondContact OD2-OG 2.83Å |
| 775 | G | 64.8 | Low | 75 | Confident | 34 Ų | 34 | 37.5 Ų | 37.5 | 35% | 0.351 | 22% | 0.216 | S | C | . | . | S | Bend | trans | 80.2 | 13.3 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | A772 P773 | A772-G775 PolarHBondContact O-N 2.81Å; P773-G775 VanDerWaalsContact C-N 3.27Å |
| 776 | S | 74.9 | Confident | 75.8 | Confident | 8 Ų | 8 | 33.3 Ų | 33.3 | 6% | 0.056 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 161.5 | 175.7 | 69.8 | 0 | 0 | 0 | 0 | 113.5 | G573 G574 C770 A772 D774 | G573-S776 VanDerWaalsContact C-CB 3.49Å; G574-S776 CarbonylContact O-C 3.59Å; G574-S776 VanDerWaalsContact O-CA 3.27Å; G574-S776 WeakPolarHBondContact O-CA 3.27Å; C770-S776 CarbonylContact C-O 3.5Å; A772-S776 WeakPolarHBondContact CB-O 3.44Å; A772-S776 WeakPolarHBondContact CB-OG 3.48Å; A772-S776 PolarHBondContact N-O 3.06Å; D774-S776 VanDerWaalsContact C-N 3.32Å; D774-S776 VanDerWaalsContact CG-OG 3.32Å; D774-S776 WeakPolarHBondContact OD1-CB 3.41Å; D774-S776 PolarHBondContact OD1-N 2.82Å; D774-S776 VanDerWaalsContact OD1-N 3.14Å; D774-S776 PolarHBondContact OD1-OG 2.64Å; D774-S776 WeakPolarHBondContact OD2-CB 3.26Å; D774-S776 PolarHBondContact OD2-OG 2.83Å |
| 777 | C | 77.3 | Confident | 76.2 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 143.4 | -173.9 | -56.3 | 0 | 0 | 0 | 0 | 110.9 | G573 G574 T576 Y581 D769 C770 | G573-C777 PolarHBondContact N-O 3.1Å; G574-C777 PolarHBondContact N-O 2.62Å; G574-C777 WeakPolarHBondContact O-CB 3.31Å; G574-C777 PolarHBondContact O-N 2.9Å; T576-C777 WeakPolarHBondContact CG2-SG 3.48Å; Y581-C777 HydrophobicContact CE1-CB 3.82Å; Y581-C777 WeakPolarHBondContact OH-CB 3.45Å; D769-C777 CarbonylContact O-C 3.54Å; D769-C777 VanDerWaalsContact O-CA 3.3Å; D769-C777 WeakPolarHBondContact O-CA 3.3Å; C770-C777 VanDerWaalsContact CA-SG 3.59Å; C770-C777 HydrophobicContact CB-CB 4.05Å; C770-C777 WeakPolarHBondContact CB-SG 3.38Å; C770-C777 WeakPolarHBondContact SG-CB 3.08Å; C770-C777 CovalentContact SG-SG 2.04Å; C770-C777 PolarHBondContact SG-SG 3.31Å |
| 778 | N | 83.5 | Confident | 76.6 | Confident | 46 Ų | 46 | 29.3 Ų | 29.3 | 25% | 0.246 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 107.2 | 171.8 | -55 | -49.9 | 0 | 0 | 0 | 107.7 | I571 R572 G573 E768 D769 | I571-N778 CarbonylContact O-C 3.58Å; I571-N778 WeakPolarHBondContact O-CA 3.4Å; R572-N778 VanDerWaalsContact CA-OD1 3.24Å; R572-N778 WeakPolarHBondContact CA-OD1 3.48Å; R572-N778 WeakPolarHBondContact CB-OD1 3.38Å; G573-N778 PolarHBondContact N-OD1 3.26Å; E768-N778 CarbonylContact C-O 3.36Å; E768-N778 WeakPolarHBondContact CA-O 3.49Å; D769-N778 PolarHBondContact N-O 3.36Å; D769-N778 PolarHBondContact O-N 3.26Å |
| 779 | L | 86.3 | Confident | 76.9 | Confident | 8 Ų | 8 | 29.1 Ų | 29.1 | 4% | 0.042 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 128.7 | 170 | 174.1 | 68.9 | 0 | 0 | 0 | 107.3 | G570 I571 F591 | G570-L779 CarbonylContact C-O 3.55Å; G570-L779 WeakPolarHBondContact CA-O 3.36Å; I571-L779 HydrophobicContact CB-CB 4.34Å; I571-L779 HydrophobicContact CD1-CD2 4.09Å; I571-L779 HydrophobicContact CG1-CD2 4.46Å; I571-L779 PolarHBondContact N-O 3.05Å; I571-L779 PolarHBondContact O-N 2.77Å; F591-L779 HydrophobicContact CD2-CD2 4.47Å; F591-L779 HydrophobicContact CE2-CD2 4.04Å |
| 780 | F | 86.7 | Confident | 77 | Confident | 58 Ų | 58 | 29.9 Ų | 29.9 | 25% | 0.254 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 144.7 | 178.9 | 63.1 | -87.7 | 0 | 0 | 0 | 112.2 | Y556 S569 Y765 C766 S767 D769 V782 | Y556-F780 WeakPolarHBondContact OH-CB 2.93Å; S569-F780 CarbonylContact O-C 3.57Å; S569-F780 WeakPolarHBondContact O-CA 3.25Å; Y765-F780 HydrophobicContact CE2-CE2 4.38Å; C766-F780 CarbonylContact C-O 3.56Å; C766-F780 VanDerWaalsContact CA-O 3.26Å; C766-F780 WeakPolarHBondContact CA-O 3.22Å; S767-F780 PolarHBondContact N-O 3.22Å; S767-F780 WeakPolarHBondContact O-CD1 3.31Å; S767-F780 PolarHBondContact O-N 2.81Å; S767-F780 VanDerWaalsContact O-O 3.09Å; D769-F780 HydrophobicContact CB-CE1 4.22Å; F780-V782 HydrophobicContact CD2-CG2 4.18Å |
| 781 | C | 87.4 | Confident | 77.6 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 137.6 | 178.7 | -59.9 | 0 | 0 | 0 | 0 | 109.6 | S568 S569 F591 N595 Y765 C766 | S568-C781 WeakPolarHBondContact CA-O 3.31Å; S568-C781 PolarHBondContact OG-O 2.03Å; S569-C781 PolarHBondContact N-O 3.46Å; S569-C781 PolarHBondContact O-N 2.81Å; F591-C781 HydrophobicContact CB-CB 3.81Å; F591-C781 VanDerWaalsContact CB-SG 3.56Å; N595-C781 PolarHBondContact ND2-O 3.11Å; N595-C781 VanDerWaalsContact ND2-O 3.13Å; Y765-C781 CarbonylContact O-C 3.52Å; Y765-C781 WeakPolarHBondContact O-CA 3.2Å; C766-C781 HydrophobicContact CB-CB 4.1Å; C766-C781 WeakPolarHBondContact CB-SG 3.38Å; C766-C781 WeakPolarHBondContact SG-CB 3.15Å; C766-C781 CovalentContact SG-SG 2.03Å; C766-C781 PolarHBondContact SG-SG 2.72Å |
| 782 | V | 84.1 | Confident | 78.4 | Confident | 15 Ų | 15 | 32.3 Ų | 32.3 | 9% | 0.091 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 128 | -175.5 | -178.9 | 0 | 0 | 0 | 0 | 110.3 | R566 S567 G764 Y765 F780 | R566-V782 HydrophobicContact CG-CG1 4.22Å; R566-V782 VanDerWaalsContact NE-CG1 3.33Å; S567-V782 WeakPolarHBondContact O-CA 3.34Å; G764-V782 WeakPolarHBondContact CA-O 3.36Å; Y765-V782 HydrophobicContact CE1-CB 4.21Å; Y765-V782 PolarHBondContact N-O 2.9Å; Y765-V782 PolarHBondContact O-N 3.13Å; F780-V782 HydrophobicContact CD2-CG2 4.18Å |
| 783 | D | 86.5 | Confident | 79.5 | Confident | 5 Ų | 5 | 33 Ų | 33 | 3% | 0.027 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 156.6 | -171.5 | -62.9 | -55.9 | 0 | 0 | 0 | 113.6 | S567 H592 N595 L760 G764 | S567-D783 PolarHBondContact N-O 2.71Å; S567-D783 PolarHBondContact O-N 3.3Å; H592-D783 IonicContact CE1-OD1 2.71Å; H592-D783 PolarHBondContact CE1-OD1 3.28Å; H592-D783 VanDerWaalsContact CE1-OD1 3.3Å; H592-D783 IonicContact CE1-OD2 3.12Å; H592-D783 IonicContact CG-OD2 3.98Å; H592-D783 IonicContact ND1-OD1 3.85Å; H592-D783 PolarHBondContact ND1-OD1 2.85Å; H592-D783 IonicContact ND1-OD2 2.73Å; H592-D783 PolarHBondContact ND1-OD2 2.78Å; N595-D783 HydrophobicContact CB-CB 4.05Å; N595-D783 WeakPolarHBondContact CB-OD2 3.18Å; N595-D783 PolarHBondContact ND2-OD2 2.73Å; L760-D783 HydrophobicContact CD2-CB 4.21Å; G764-D783 WeakPolarHBondContact CA-OD1 3.49Å |
| 784 | E | 85.3 | Confident | 80.9 | Confident | 52 Ų | 52 | 29.7 Ų | 29.7 | 24% | 0.243 | 17% | 0.172 | C | C | . | . | trans | -123.2 | 93.4 | 158.7 | 178 | 172.7 | 168.7 | 0 | 0 | 108.1 | R565 K761 | R565-E784 HydrophobicContact CB-CG 4.14Å; R565-E784 WeakPolarHBondContact O-CB 3.39Å; R565-E784 WeakPolarHBondContact O-CG 3.34Å; K761-E784 HydrophobicContact CB-CB 4.18Å; K761-E784 HydrophobicContact CB-CG 4.19Å; K761-E784 WeakPolarHBondContact CB-O 3.08Å; K761-E784 HydrophobicContact CD-CB 4.45Å; K761-E784 HydrophobicContact CD-CG 3.91Å; K761-E784 VanDerWaalsContact CD-OE1 3.24Å; K761-E784 WeakPolarHBondContact CD-OE1 3.43Å; K761-E784 VanDerWaalsContact CD-OE2 3.22Å; K761-E784 WeakPolarHBondContact CD-OE2 3.44Å; K761-E784 PolarHBondContact N-O 2.8Å; K761-E784 IonicContact NZ-OE1 3.89Å; K761-E784 PolarHBondContact NZ-OE1 2.89Å; K761-E784 IonicContact NZ-OE2 2.9Å; K761-E784 PolarHBondContact NZ-OE2 3.21Å | ||
| 785 | P | 86.6 | Confident | 81.6 | Confident | 10 Ų | 10 | 25.9 Ų | 25.9 | 7% | 0.065 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 130 | -170.8 | 32.1 | -31.2 | 0 | 0 | 0 | 113.9 | N595 S596 S599 S600 I758 L760 | N595-P785 WeakPolarHBondContact O-CG 3.43Å; S596-P785 WeakPolarHBondContact OG-CB 3.4Å; S599-P785 WeakPolarHBondContact CA-O 3.41Å; S599-P785 WeakPolarHBondContact CB-O 3.21Å; S600-P785 PolarHBondContact N-O 2.79Å; I758-P785 HydrophobicContact CG2-CB 4.48Å; L760-P785 HydrophobicContact CD2-CB 3.98Å |
| 786 | L | 86.5 | Confident | 82.2 | Confident | 19 Ų | 19 | 26.2 Ų | 26.2 | 10% | 0.099 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 142.7 | 177.3 | -60.6 | 174.3 | 0 | 0 | 0 | 111.1 | I758 R759 K761 C797 | I758-L786 WeakPolarHBondContact CA-O 3.33Å; R759-L786 PolarHBondContact N-O 3.02Å; R759-L786 PolarHBondContact O-N 3.5Å; K761-L786 HydrophobicContact CB-CD1 4.42Å; L786-C797 HydrophobicContact CD1-CB 4.03Å |
| 787 | L | 86.8 | Confident | 82 | Confident | 3 Ų | 3 | 27.2 Ų | 27.2 | 2% | 0.016 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 135.3 | -175.9 | -171.3 | 66.9 | 0 | 0 | 0 | 112.1 | S600 C602 V611 N613 Y695 I758 | S600-L787 PolarHBondContact O-N 3.4Å; C602-L787 PolarHBondContact N-O 2.88Å; V611-L787 HydrophobicContact CG1-CD2 3.67Å; V611-L787 HydrophobicContact CG1-CG 3.73Å; N613-L787 HydrophobicContact CB-CD2 4.11Å; Y695-L787 HydrophobicContact CE1-CD1 3.78Å; I758-L787 HydrophobicContact CG1-CD1 4.08Å |
| 788 | L | 86 | Confident | 81.7 | Confident | 2 Ų | 2 | 28.2 Ų | 28.2 | 1% | 0.01 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 147 | -177.5 | -45.7 | 92 | 0 | 0 | 0 | 111.7 | C602 I605 Y756 Y757 R759 P792 D796 C797 | C602-L788 HydrophobicContact CB-CD2 4.4Å; C602-L788 HydrophobicContact CB-CG 4.3Å; I605-L788 HydrophobicContact CD1-CB 4.45Å; I605-L788 HydrophobicContact CD1-CD2 3.64Å; I605-L788 HydrophobicContact CD1-CG 4.44Å; Y756-L788 CarbonylContact C-O 3.58Å; Y756-L788 WeakPolarHBondContact CA-O 3.27Å; Y757-L788 PolarHBondContact N-O 2.85Å; Y757-L788 WeakPolarHBondContact O-CD1 3.18Å; Y757-L788 PolarHBondContact O-N 2.78Å; R759-L788 HydrophobicContact CB-CD1 3.93Å; L788-P792 HydrophobicContact CD1-CG 4.29Å; L788-P792 HydrophobicContact CD2-CB 3.77Å; L788-P792 HydrophobicContact CD2-CG 4.35Å; L788-D796 HydrophobicContact CD2-CB 4.1Å; L788-C797 WeakPolarHBondContact CD2-SG 3.41Å |
| 789 | A | 79.1 | Confident | 80.9 | Confident | 34 Ų | 34 | 30.7 Ų | 30.7 | 28% | 0.281 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -95.1 | -6.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | V611 Y756 | V611-A789 HydrophobicContact CG1-CB 4.41Å; V611-A789 HydrophobicContact CG2-CB 3.87Å; Y756-A789 HydrophobicContact CD1-CB 4.09Å; Y756-A789 HydrophobicContact CE1-CB 3.96Å |
| 790 | T | 79.7 | Confident | 80.2 | Confident | 74 Ų | 74 | 31.5 Ų | 31.5 | 45% | 0.454 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -122.6 | 151.6 | 174.6 | 51.1 | 0 | 0 | 0 | 0 | 109.1 | Y757 P792 | Y757-T790 VanDerWaalsContact CD2-O 3.24Å; Y757-T790 WeakPolarHBondContact CD2-O 3.44Å; Y757-T790 VanDerWaalsContact CE2-C 3.45Å; T790-P792 VanDerWaalsContact O-CD 3.26Å; T790-P792 WeakPolarHBondContact O-CD 3.26Å; T790-P792 VanDerWaalsContact O-N 3.1Å |
| 791 | E | 80.6 | Confident | 79.1 | Confident | 105 Ų | 105 | 35 Ų | 35 | 49% | 0.491 | 20% | 0.203 | S | C | . | . | trans | -60.4 | 115.6 | 177.4 | -168.5 | 160.3 | -144.8 | 0 | 0 | 108.4 | Y691 Y757 S793 | Y691-E791 HydrophobicContact CD1-CG 4.29Å; Y691-E791 HydrophobicContact CE1-CG 3.58Å; Y691-E791 WeakPolarHBondContact CE1-OE1 3.45Å; Y691-E791 VanDerWaalsContact CZ-OE1 3.25Å; Y691-E791 PolarHBondContact OH-OE1 3.42Å; Y757-E791 HydrophobicContact CD1-CB 4.36Å; Y757-E791 HydrophobicContact CD1-CG 4.15Å; Y757-E791 HydrophobicContact CE1-CB 3.73Å; Y757-E791 HydrophobicContact CE1-CG 3.59Å; Y757-E791 VanDerWaalsContact CE2-CA 3.46Å; Y757-E791 HydrophobicContact CE2-CB 3.95Å; E791-S793 PolarHBondContact O-N 3Å | ||
| 792 | P | 77.6 | Confident | 77.9 | Confident | 5 Ų | 5 | 40 Ų | 40 | 3% | 0.032 | 22% | 0.222 | C | C | . | . | trans | -62.3 | 125.4 | -169.5 | 12.7 | -22.6 | 0 | 0 | 0 | 110.5 | T690 Y691 L788 T790 D796 | T690-P792 WeakPolarHBondContact CB-O 3.22Å; T690-P792 PolarHBondContact OG1-O 2.92Å; Y691-P792 HydrophobicContact CD1-CG 3.9Å; Y691-P792 HydrophobicContact CG-CG 4.28Å; L788-P792 HydrophobicContact CD1-CG 4.29Å; L788-P792 HydrophobicContact CD2-CB 3.77Å; L788-P792 HydrophobicContact CD2-CG 4.35Å; T790-P792 VanDerWaalsContact O-CD 3.26Å; T790-P792 WeakPolarHBondContact O-CD 3.26Å; T790-P792 VanDerWaalsContact O-N 3.1Å; P792-D796 WeakPolarHBondContact CA-OD2 3.49Å; P792-D796 HydrophobicContact CB-CB 4.05Å | ||
| 793 | S | 78.9 | Confident | 76.8 | Confident | 36 Ų | 36 | 47.7 Ų | 47.7 | 25% | 0.252 | 26% | 0.257 | S | S | . | . | trans | -58.9 | 157.8 | 156.9 | 96.4 | 0 | 0 | 0 | 0 | 108.9 | R759 E791 C795 D796 | R759-S793 PolarHBondContact NH1-O 2.05Å; E791-S793 PolarHBondContact O-N 3Å; S793-C795 PolarHBondContact O-N 2.87Å; S793-C795 PolarHBondContact OG-N 2.94Å; S793-D796 VanDerWaalsContact CB-OD1 3.25Å; S793-D796 WeakPolarHBondContact CB-OD1 3.33Å; S793-D796 PolarHBondContact N-OD2 3.22Å; S793-D796 PolarHBondContact O-N 2.8Å; S793-D796 VanDerWaalsContact OG-CG 3.3Å; S793-D796 PolarHBondContact OG-N 2.86Å; S793-D796 PolarHBondContact OG-OD1 3.01Å | ||
| 794 | P | 75.5 | Confident | 75.9 | Confident | 12 Ų | 12 | 48.7 Ų | 48.7 | 8% | 0.078 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -27.7 | 176.5 | -24.6 | 32.5 | 0 | 0 | 0 | 113.1 | T690 R759 V798 P809 G811 S813 Y814 | T690-P794 HydrophobicContact CG2-CB 3.98Å; T690-P794 HydrophobicContact CG2-CG 3.62Å; R759-P794 PolarHBondContact NH1-O 2.88Å; R759-P794 PolarHBondContact NH2-O 3.33Å; P794-V798 VanDerWaalsContact O-CG2 3.27Å; P794-V798 WeakPolarHBondContact O-CG2 3.36Å; P794-P809 HydrophobicContact CG-CB 3.97Å; P794-G811 WeakPolarHBondContact CG-O 3.34Å; P794-S813 VanDerWaalsContact CB-C 3.42Å; P794-S813 WeakPolarHBondContact CB-O 3.4Å; P794-S813 WeakPolarHBondContact CG-O 3.22Å; P794-Y814 VanDerWaalsContact O-CD1 3.28Å; P794-Y814 WeakPolarHBondContact O-CD1 3.22Å |
| 795 | C | 78.6 | Confident | 75.2 | Confident | 17 Ų | 17 | 47.8 Ų | 47.8 | 12% | 0.115 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -9.2 | 179.8 | -74.4 | 0 | 0 | 0 | 0 | 115.7 | S793 C797 V798 C807 R808 | S793-C795 PolarHBondContact O-N 2.87Å; S793-C795 PolarHBondContact OG-N 2.94Å; C795-C797 PolarHBondContact O-N 2.9Å; C795-V798 WeakPolarHBondContact O-CB 3.37Å; C795-V798 PolarHBondContact O-N 3.49Å; C795-C807 WeakPolarHBondContact CA-SG 3.48Å; C795-C807 HydrophobicContact CB-CB 3.54Å; C795-C807 WeakPolarHBondContact CB-SG 3.43Å; C795-C807 VanDerWaalsContact SG-CA 3.58Å; C795-C807 WeakPolarHBondContact SG-CB 3.42Å; C795-C807 PolarHBondContact SG-O 2.85Å; C795-C807 CovalentContact SG-SG 2.04Å; C795-C807 PolarHBondContact SG-SG 3.04Å; C795-R808 PolarHBondContact SG-N 2.85Å |
| 796 | D | 77.7 | Confident | 74.7 | Confident | 41 Ų | 41 | 50.8 Ų | 50.8 | 22% | 0.219 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | 130.6 | -179.5 | -65.4 | 3.2 | 0 | 0 | 0 | 109 | I605 R759 L788 P792 S793 V798 | I605-D796 HydrophobicContact CD1-CB 4.29Å; R759-D796 PolarHBondContact NH1-O 3.42Å; L788-D796 HydrophobicContact CD2-CB 4.1Å; P792-D796 WeakPolarHBondContact CA-OD2 3.49Å; P792-D796 HydrophobicContact CB-CB 4.05Å; S793-D796 VanDerWaalsContact CB-OD1 3.25Å; S793-D796 WeakPolarHBondContact CB-OD1 3.33Å; S793-D796 PolarHBondContact N-OD2 3.22Å; S793-D796 PolarHBondContact O-N 2.8Å; S793-D796 VanDerWaalsContact OG-CG 3.3Å; S793-D796 PolarHBondContact OG-N 2.86Å; S793-D796 PolarHBondContact OG-OD1 3.01Å; D796-V798 PolarHBondContact O-N 2.85Å |
| 797 | C | 70.4 | Confident | 74.2 | Confident | 29 Ų | 29 | 51.1 Ų | 51.1 | 20% | 0.196 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64.4 | 13.5 | -170.1 | -36.8 | 0 | 0 | 0 | 0 | 115.2 | C602 L786 L788 C795 | C602-C797 HydrophobicContact CB-CB 4.26Å; C602-C797 WeakPolarHBondContact CB-SG 3.33Å; C602-C797 WeakPolarHBondContact SG-CA 3.18Å; C602-C797 WeakPolarHBondContact SG-CB 3.39Å; C602-C797 CovalentContact SG-SG 2.02Å; C602-C797 PolarHBondContact SG-SG 3.24Å; L786-C797 HydrophobicContact CD1-CB 4.03Å; L788-C797 WeakPolarHBondContact CD2-SG 3.41Å; C795-C797 PolarHBondContact O-N 2.9Å |
| 798 | V | 71.2 | Confident | 73.9 | Confident | 21 Ų | 21 | 55.5 Ų | 55.5 | 13% | 0.127 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -96.9 | 116.7 | 170.7 | 179 | 0 | 0 | 0 | 0 | 109.1 | P794 C795 D796 Y814 | P794-V798 VanDerWaalsContact O-CG2 3.27Å; P794-V798 WeakPolarHBondContact O-CG2 3.36Å; C795-V798 WeakPolarHBondContact O-CB 3.37Å; C795-V798 PolarHBondContact O-N 3.49Å; D796-V798 PolarHBondContact O-N 2.85Å; V798-Y814 HydrophobicContact CB-CE2 4.48Å; V798-Y814 HydrophobicContact CG1-CD2 3.69Å; V798-Y814 HydrophobicContact CG1-CE1 4.27Å; V798-Y814 HydrophobicContact CG1-CE2 3.39Å; V798-Y814 HydrophobicContact CG1-CG 4.25Å; V798-Y814 HydrophobicContact CG2-CD1 3.8Å; V798-Y814 HydrophobicContact CG2-CD2 4.42Å; V798-Y814 HydrophobicContact CG2-CE1 3.66Å; V798-Y814 HydrophobicContact CG2-CE2 4.31Å; V798-Y814 HydrophobicContact CG2-CG 4.18Å |
| 799 | T | 66.6 | Low | 73.3 | Confident | 98 Ų | 98 | 59 Ų | 59 | 60% | 0.601 | 33% | 0.325 | S | S | * | . | P | Polyproline II helix | trans | -90.5 | 125.4 | 163.6 | 47.7 | 0 | 0 | 0 | 0 | 109.1 | N604 | N604-T799 WeakPolarHBondContact ND2-CG2 3.24Š|
| 800 | C | 72.3 | Confident | 72.5 | Confident | 26 Ų | 26 | 62 Ų | 62 | 18% | 0.176 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -77.6 | 123.7 | 168.3 | -65.9 | 0 | 0 | 0 | 0 | 109.1 | R802 E805 C816 | C800-R802 PolarHBondContact O-N 2.81Å; C800-E805 HydrophobicContact CB-CB 3.96Å; C800-C816 VanDerWaalsContact CA-SG 3.56Å; C800-C816 HydrophobicContact CB-CB 3.75Å; C800-C816 WeakPolarHBondContact CB-SG 3.37Å; C800-C816 WeakPolarHBondContact SG-CB 3.02Å; C800-C816 CovalentContact SG-SG 2.03Å; C800-C816 PolarHBondContact SG-SG 3.04Å |
| 801 | D | 63.5 | Low | 71.9 | Confident | 130 Ų | 130 | 61.6 Ų | 61.6 | 70% | 0.695 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -61.2 | -11.3 | -177.6 | -80.5 | 7 | 0 | 0 | 0 | 114.2 | R1062 | D801-R1062 IonicContact OD2-NH2 3.63Š|
| 802 | R | 62.3 | Low | 71 | Confident | 105 Ų | 105 | 57.9 Ų | 57.9 | 40% | 0.396 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -108.9 | 139.3 | -173.9 | -51.6 | -166.9 | -172.8 | -176.7 | -8 | 113.4 | C800 G804 E805 N828 | C800-R802 PolarHBondContact O-N 2.81Å; R802-G804 PolarHBondContact O-N 2.85Å; R802-E805 HydrophobicContact CB-CB 4.3Å; R802-E805 HydrophobicContact CB-CG 3.93Å; R802-E805 WeakPolarHBondContact CB-OE2 3.32Å; R802-E805 WeakPolarHBondContact CD-OE1 3.29Å; R802-E805 WeakPolarHBondContact CG-OE2 3.43Å; R802-E805 IonicContact NE-OE1 3.63Å; R802-E805 IonicContact NH1-OE1 3.79Å; R802-E805 PolarHBondContact O-N 2.91Å; R802-N828 PolarHBondContact NH1-OD1 2.83Å |
| 803 | H | 61.1 | Low | 70.3 | Confident | 178 Ų | 178 | 60.8 Ų | 60.8 | 82% | 0.824 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | 125.8 | 179.1 | -170 | 80.4 | 0 | 0 | 0 | 112.4 | E805 | H803-E805 VanDerWaalsContact C-N 3.29Å; H803-E805 PolarHBondContact O-N 3.17Å |
| 804 | G | 68.4 | Low | 70 | Confident | 26 Ų | 26 | 63.8 Ų | 63.8 | 27% | 0.268 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.5 | -2.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | R802 G819 C830 | R802-G804 PolarHBondContact O-N 2.85Å; G804-G819 PolarHBondContact O-N 2.85Å; G804-G819 VanDerWaalsContact O-N 3.15Å; G804-C830 PolarHBondContact O-SG 2.74Å; G804-C830 VanDerWaalsContact O-SG 3.37Å |
| 805 | E | 69.9 | Low | 69.9 | Low | 33 Ų | 33 | 68 Ų | 68 | 15% | 0.154 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 139.6 | 164.3 | -75.3 | -172.5 | 165.2 | 0 | 0 | 110.4 | C800 R802 H803 C816 E817 | C800-E805 HydrophobicContact CB-CB 3.96Å; R802-E805 HydrophobicContact CB-CB 4.3Å; R802-E805 HydrophobicContact CB-CG 3.93Å; R802-E805 WeakPolarHBondContact CB-OE2 3.32Å; R802-E805 WeakPolarHBondContact CD-OE1 3.29Å; R802-E805 WeakPolarHBondContact CG-OE2 3.43Å; R802-E805 IonicContact NE-OE1 3.63Å; R802-E805 IonicContact NH1-OE1 3.79Å; R802-E805 PolarHBondContact O-N 2.91Å; H803-E805 VanDerWaalsContact C-N 3.29Å; H803-E805 PolarHBondContact O-N 3.17Å; E805-C816 HydrophobicContact CB-CB 4.18Å; E805-C816 WeakPolarHBondContact OE2-CB 3.33Å; E805-E817 CarbonylContact C-O 3.58Å; E805-E817 WeakPolarHBondContact CA-O 3.18Å |
| 806 | V | 77 | Confident | 69.8 | Low | 73 Ų | 73 | 69.1 Ų | 69.1 | 44% | 0.442 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 132.1 | 173.8 | -178.3 | 0 | 0 | 0 | 0 | 106.5 | R808 E817 | V806-R808 PolarHBondContact O-N 2.98Å; V806-E817 PolarHBondContact N-O 3.41Å; V806-E817 PolarHBondContact O-N 3.28Å; V806-E817 VanDerWaalsContact O-N 3.11Å |
| 807 | C | 76.3 | Confident | 69.7 | Low | 25 Ų | 25 | 69.5 Ų | 69.5 | 17% | 0.169 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 132.8 | 175.2 | -171.8 | 0 | 0 | 0 | 0 | 110.2 | C795 Y814 | C795-C807 WeakPolarHBondContact CA-SG 3.48Å; C795-C807 HydrophobicContact CB-CB 3.54Å; C795-C807 WeakPolarHBondContact CB-SG 3.43Å; C795-C807 VanDerWaalsContact SG-CA 3.58Å; C795-C807 WeakPolarHBondContact SG-CB 3.42Å; C795-C807 PolarHBondContact SG-O 2.85Å; C795-C807 CovalentContact SG-SG 2.04Å; C795-C807 PolarHBondContact SG-SG 3.04Å; C807-Y814 VanDerWaalsContact SG-CB 3.52Å |
| 808 | R | 80.1 | Confident | 70.1 | Confident | 96 Ų | 96 | 68.9 Ų | 68.9 | 36% | 0.362 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 130.5 | 176.2 | -71.6 | -112.6 | -173.3 | 111.7 | -0 | 111.2 | C795 V806 R815 E817 | C795-R808 PolarHBondContact SG-N 2.85Å; V806-R808 PolarHBondContact O-N 2.98Å; R808-R815 PolarHBondContact N-O 2.69Å; R808-R815 PolarHBondContact O-N 2.8Å; R808-E817 HydrophobicContact CB-CG 4.06Å; R808-E817 WeakPolarHBondContact CD-OE1 3.33Å; R808-E817 HydrophobicContact CG-CG 3.66Å; R808-E817 WeakPolarHBondContact CG-OE1 3.14Å; R808-E817 IonicContact CZ-OE1 3.3Å; R808-E817 IonicContact NE-OE1 2.86Å; R808-E817 IonicContact NH1-OE1 2.87Å; R808-E817 PolarHBondContact NH1-OE1 2.87Å |
| 809 | P | 73.7 | Confident | 70 | Confident | 75 Ų | 75 | 68.4 Ų | 68.4 | 49% | 0.487 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 142.1 | 175.4 | -27.8 | 36.9 | 0 | 0 | 0 | 113.6 | P794 | P794-P809 HydrophobicContact CG-CB 3.97Å |
| 810 | E | 61.9 | Low | 70.1 | Confident | 98 Ų | 98 | 72.9 Ų | 72.9 | 46% | 0.458 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 82.9 | 174.4 | -171.2 | 164.2 | 166.8 | 0 | 0 | 109.6 | S813 R815 | E810-S813 CarbonylContact C-O 3.55Å; E810-S813 WeakPolarHBondContact CA-O 3.24Å; E810-S813 PolarHBondContact N-O 3.28Å; E810-S813 CarbonylContact O-C 3.55Å; E810-S813 WeakPolarHBondContact O-CA 3.19Å; E810-S813 PolarHBondContact O-N 2.81Å; E810-S813 VanDerWaalsContact O-O 3.1Å; E810-S813 PolarHBondContact O-OG 2.89Å; E810-R815 VanDerWaalsContact OE2-CD 3.28Å; E810-R815 WeakPolarHBondContact OE2-CD 3.5Å; E810-R815 IonicContact OE2-CZ 2.69Å; E810-R815 IonicContact OE2-NE 3.8Å; E810-R815 IonicContact OE2-NH1 2.96Å; E810-R815 PolarHBondContact OE2-NH1 2.94Å |
| 811 | G | 67.4 | Low | 69.5 | Low | 65 Ų | 65 | 74.7 Ų | 74.7 | 67% | 0.67 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.8 | -128.9 | -166.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | P794 | P794-G811 WeakPolarHBondContact CG-O 3.34Š|
| 812 | A | 61.3 | Low | 69.6 | Low | 26 Ų | 26 | 71.5 Ų | 71.5 | 22% | 0.215 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -2.4 | 168.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | P687 K689 T690 | P687-A812 WeakPolarHBondContact O-CB 3.33Å; K689-A812 WeakPolarHBondContact O-CB 3.49Å; T690-A812 HydrophobicContact CG2-CB 4.14Å |
| 813 | S | 62.5 | Low | 69.7 | Low | 67 Ų | 67 | 72.7 Ų | 72.7 | 47% | 0.469 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 171.7 | 168.6 | 79.7 | 0 | 0 | 0 | 0 | 110.4 | P794 E810 | P794-S813 VanDerWaalsContact CB-C 3.42Å; P794-S813 WeakPolarHBondContact CB-O 3.4Å; P794-S813 WeakPolarHBondContact CG-O 3.22Å; E810-S813 CarbonylContact C-O 3.55Å; E810-S813 WeakPolarHBondContact CA-O 3.24Å; E810-S813 PolarHBondContact N-O 3.28Å; E810-S813 CarbonylContact O-C 3.55Å; E810-S813 WeakPolarHBondContact O-CA 3.19Å; E810-S813 PolarHBondContact O-N 2.81Å; E810-S813 VanDerWaalsContact O-O 3.1Å; E810-S813 PolarHBondContact O-OG 2.89Å |
| 814 | Y | 72.9 | Confident | 69.9 | Low | 98 Ų | 98 | 68.3 Ų | 68.3 | 38% | 0.384 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 159.8 | 172.8 | 61.5 | -89.1 | 0 | 0 | 0 | 109.7 | P794 V798 C807 | P794-Y814 VanDerWaalsContact O-CD1 3.28Å; P794-Y814 WeakPolarHBondContact O-CD1 3.22Å; V798-Y814 HydrophobicContact CB-CE2 4.48Å; V798-Y814 HydrophobicContact CG1-CD2 3.69Å; V798-Y814 HydrophobicContact CG1-CE1 4.27Å; V798-Y814 HydrophobicContact CG1-CE2 3.39Å; V798-Y814 HydrophobicContact CG1-CG 4.25Å; V798-Y814 HydrophobicContact CG2-CD1 3.8Å; V798-Y814 HydrophobicContact CG2-CD2 4.42Å; V798-Y814 HydrophobicContact CG2-CE1 3.66Å; V798-Y814 HydrophobicContact CG2-CE2 4.31Å; V798-Y814 HydrophobicContact CG2-CG 4.18Å; C807-Y814 VanDerWaalsContact SG-CB 3.52Å |
| 815 | R | 72.7 | Confident | 69.3 | Low | 102 Ų | 102 | 69.4 Ų | 69.4 | 39% | 0.385 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 153.3 | 160.3 | 65.5 | 168.2 | -171.1 | -76.7 | -10.5 | 109.9 | R808 E810 E817 | R808-R815 PolarHBondContact N-O 2.69Å; R808-R815 PolarHBondContact O-N 2.8Å; E810-R815 VanDerWaalsContact OE2-CD 3.28Å; E810-R815 WeakPolarHBondContact OE2-CD 3.5Å; E810-R815 IonicContact OE2-CZ 2.69Å; E810-R815 IonicContact OE2-NE 3.8Å; E810-R815 IonicContact OE2-NH1 2.96Å; E810-R815 PolarHBondContact OE2-NH1 2.94Å; R815-E817 IonicContact CZ-OE2 3.5Å; R815-E817 IonicContact NE-OE2 3.75Å; R815-E817 PolarHBondContact NE-OE2 3.39Å; R815-E817 VanDerWaalsContact NH2-CD 3.31Å; R815-E817 IonicContact NH2-OE1 3.81Å; R815-E817 PolarHBondContact NH2-OE1 2.92Å; R815-E817 IonicContact NH2-OE2 3.96Å; R815-E817 PolarHBondContact NH2-OE2 2.84Å |
| 816 | C | 76 | Confident | 68.5 | Low | 40 Ų | 40 | 72.1 Ų | 72.1 | 27% | 0.27 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 133.7 | 169.3 | -65.4 | 0 | 0 | 0 | 0 | 109.2 | C800 E805 | C800-C816 VanDerWaalsContact CA-SG 3.56Å; C800-C816 HydrophobicContact CB-CB 3.75Å; C800-C816 WeakPolarHBondContact CB-SG 3.37Å; C800-C816 WeakPolarHBondContact SG-CB 3.02Å; C800-C816 CovalentContact SG-SG 2.03Å; C800-C816 PolarHBondContact SG-SG 3.04Å; E805-C816 HydrophobicContact CB-CB 4.18Å; E805-C816 WeakPolarHBondContact OE2-CB 3.33Å |
| 817 | E | 77.2 | Confident | 67.4 | Low | 48 Ų | 48 | 71.7 Ų | 71.7 | 22% | 0.224 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 160.1 | 176 | 61.1 | -179 | -165.5 | 0 | 0 | 111 | E805 V806 R808 R815 | E805-E817 CarbonylContact C-O 3.58Å; E805-E817 WeakPolarHBondContact CA-O 3.18Å; V806-E817 PolarHBondContact N-O 3.41Å; V806-E817 PolarHBondContact O-N 3.28Å; V806-E817 VanDerWaalsContact O-N 3.11Å; R808-E817 HydrophobicContact CB-CG 4.06Å; R808-E817 WeakPolarHBondContact CD-OE1 3.33Å; R808-E817 HydrophobicContact CG-CG 3.66Å; R808-E817 WeakPolarHBondContact CG-OE1 3.14Å; R808-E817 IonicContact CZ-OE1 3.3Å; R808-E817 IonicContact NE-OE1 2.86Å; R808-E817 IonicContact NH1-OE1 2.87Å; R808-E817 PolarHBondContact NH1-OE1 2.87Å; R815-E817 IonicContact CZ-OE2 3.5Å; R815-E817 IonicContact NE-OE2 3.75Å; R815-E817 PolarHBondContact NE-OE2 3.39Å; R815-E817 VanDerWaalsContact NH2-CD 3.31Å; R815-E817 IonicContact NH2-OE1 3.81Å; R815-E817 PolarHBondContact NH2-OE1 2.92Å; R815-E817 IonicContact NH2-OE2 3.96Å; R815-E817 PolarHBondContact NH2-OE2 2.84Å |
| 818 | C | 77.3 | Confident | 66.3 | Low | 17 Ų | 17 | 73.1 Ų | 73.1 | 12% | 0.115 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 145 | -174.6 | -65.1 | 0 | 0 | 0 | 0 | 114.3 | L822 L824 C830 | C818-L822 HydrophobicContact CB-CB 4.01Å; C818-L824 WeakPolarHBondContact SG-CA 3.25Å; C818-L824 PolarHBondContact SG-N 2.02Å; C818-C830 WeakPolarHBondContact CA-SG 3.36Å; C818-C830 HydrophobicContact CB-CB 3.63Å; C818-C830 WeakPolarHBondContact CB-SG 3.23Å; C818-C830 WeakPolarHBondContact SG-CA 3.47Å; C818-C830 WeakPolarHBondContact SG-CB 3.49Å; C818-C830 CovalentContact SG-SG 2.03Å; C818-C830 PolarHBondContact SG-SG 2.81Å |
| 819 | G | 70.7 | Confident | 65.4 | Low | 10 Ų | 10 | 71.2 Ų | 71.2 | 10% | 0.103 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -56.6 | 162.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | G804 G821 L822 | G804-G819 PolarHBondContact O-N 2.85Å; G804-G819 VanDerWaalsContact O-N 3.15Å; G819-G821 PolarHBondContact O-N 3.32Å; G819-L822 WeakPolarHBondContact O-CA 3.43Å; G819-L822 WeakPolarHBondContact O-CB 3.34Å; G819-L822 PolarHBondContact O-N 3.19Å; G819-L822 VanDerWaalsContact O-O 3.11Å |
| 820 | Q | 67.9 | Low | 65 | Low | 192 Ų | 192 | 68.4 Ų | 68.4 | 90% | 0.897 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | 131 | -174.7 | -160 | 170.6 | 11.5 | 0 | 0 | 111.5 | L822 | Q820-L822 PolarHBondContact O-N 2.79Š|
| 821 | G | 59.9 | Low | 65.1 | Low | 64 Ų | 64 | 67.5 Ų | 67.5 | 66% | 0.66 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85 | -14.4 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | G819 | G819-G821 PolarHBondContact O-N 3.32Š|
| 822 | L | 64.7 | Low | 64.5 | Low | 64 Ų | 64 | 66.2 Ų | 66.2 | 34% | 0.335 | 37% | 0.366 | S | S | . | . | trans | -95.6 | 139.3 | 170.5 | -53.1 | 171.9 | 0 | 0 | 0 | 109.2 | C818 G819 Q820 C830 Q831 | C818-L822 HydrophobicContact CB-CB 4.01Å; G819-L822 WeakPolarHBondContact O-CA 3.43Å; G819-L822 WeakPolarHBondContact O-CB 3.34Å; G819-L822 PolarHBondContact O-N 3.19Å; G819-L822 VanDerWaalsContact O-O 3.11Å; Q820-L822 PolarHBondContact O-N 2.79Å; L822-C830 HydrophobicContact CB-CB 3.99Å; L822-C830 HydrophobicContact CD1-CB 3.98Å; L822-Q831 WeakPolarHBondContact CA-O 3.39Å | ||
| 823 | K | 65.4 | Low | 64.2 | Low | 129 Ų | 129 | 68.1 Ų | 68.1 | 56% | 0.561 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 152.1 | 164.6 | -70.8 | 178.3 | -177.4 | 163.1 | 0 | 108.7 | M825 Q831 T833 | K823-M825 PolarHBondContact O-N 2.81Å; K823-Q831 PolarHBondContact N-O 2.83Å; K823-Q831 PolarHBondContact O-N 2.96Å; K823-T833 HydrophobicContact CB-CG2 3.83Å; K823-T833 HydrophobicContact CD-CG2 3.85Å; K823-T833 HydrophobicContact CG-CG2 4.31Å |
| 824 | L | 64.9 | Low | 63.4 | Low | 87 Ų | 87 | 66.9 Ų | 66.9 | 46% | 0.455 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 108.7 | 171.6 | -170.6 | 68.9 | 0 | 0 | 0 | 107.4 | C818 | C818-L824 WeakPolarHBondContact SG-CA 3.25Å; C818-L824 PolarHBondContact SG-N 2.02Å |
| 825 | M | 55.6 | Low | 62 | Low | 48 Ų | 48 | 69.4 Ų | 69.4 | 24% | 0.236 | 39% | 0.385 | C | S | . | . | trans | -72.9 | 158.9 | 175.5 | -65.7 | -61.3 | -82.9 | 0 | 0 | 109.4 | K823 D827 N828 T829 Q831 T833 | K823-M825 PolarHBondContact O-N 2.81Å; M825-D827 VanDerWaalsContact CB-OD1 3.31Å; M825-D827 WeakPolarHBondContact CB-OD1 3.37Å; M825-D827 PolarHBondContact O-N 2.91Å; M825-N828 PolarHBondContact O-N 2.94Å; M825-T829 WeakPolarHBondContact CB-O 3.34Å; M825-T829 PolarHBondContact N-O 2.9Å; M825-Q831 HydrophobicContact CB-CG 4.43Å; M825-Q831 HydrophobicContact CG-CB 3.5Å; M825-Q831 HydrophobicContact CG-CG 3.61Å; M825-Q831 HydrophobicContact SD-CB 4.32Å; M825-T833 HydrophobicContact SD-CG2 3.57Å; M825-T833 VanDerWaalsContact SD-CG2 3.57Å | ||
| 826 | P | 53.9 | Low | 60.7 | Low | 91 Ų | 91 | 69.3 Ų | 69.3 | 59% | 0.591 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -27.7 | 179.8 | -26.5 | 35.7 | 0 | 0 | 0 | 113.3 | N828 S1716 S1718 | P826-N828 PolarHBondContact O-N 3.1Å; P826-N828 VanDerWaalsContact O-N 3.13Å; P826-S1716 VanDerWaalsContact CB-CB 3.47Å; P826-S1716 WeakPolarHBondContact O-CB 3.47Å; P826-S1716 PolarHBondContact O-OG 2.94Å; P826-S1718 PolarHBondContact O-OG 2.87Å |
| 827 | D | 54.1 | Low | 59 | Low | 63 Ų | 63 | 71.1 Ų | 71.1 | 34% | 0.337 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | 6.9 | 174.8 | 65.1 | 16.3 | 0 | 0 | 0 | 115.1 | M825 T829 Q831 | M825-D827 VanDerWaalsContact CB-OD1 3.31Å; M825-D827 WeakPolarHBondContact CB-OD1 3.37Å; M825-D827 PolarHBondContact O-N 2.91Å; D827-T829 VanDerWaalsContact CG-OG1 3.28Å; D827-T829 PolarHBondContact O-N 2.94Å; D827-T829 WeakPolarHBondContact OD1-CB 3.38Å; D827-T829 PolarHBondContact OD1-N 3.22Å; D827-T829 PolarHBondContact OD1-OG1 3.48Å; D827-T829 PolarHBondContact OD2-OG1 3.37Å; D827-Q831 PolarHBondContact OD2-NE2 2.74Å |
| 828 | N | 52.5 | Low | 57.1 | Low | 56 Ų | 56 | 71 Ų | 71 | 30% | 0.299 | 41% | 0.405 | S | S | . | . | S | Bend | trans | 65.2 | 14.4 | -175.3 | -91.6 | -18.9 | 0 | 0 | 0 | 115.4 | R802 M825 P826 S1718 | R802-N828 PolarHBondContact NH1-OD1 2.83Å; M825-N828 PolarHBondContact O-N 2.94Å; P826-N828 PolarHBondContact O-N 3.1Å; P826-N828 VanDerWaalsContact O-N 3.13Å; N828-S1718 WeakPolarHBondContact ND2-CB 3.33Å; N828-S1718 PolarHBondContact ND2-OG 2.81Å |
| 829 | T | 60.3 | Low | 55.1 | Low | 56 Ų | 56 | 72.7 Ų | 72.7 | 34% | 0.344 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -101.2 | 155.5 | 171.3 | 71.7 | 0 | 0 | 0 | 0 | 111.7 | M825 D827 Q831 | M825-T829 WeakPolarHBondContact CB-O 3.34Å; M825-T829 PolarHBondContact N-O 2.9Å; D827-T829 VanDerWaalsContact CG-OG1 3.28Å; D827-T829 PolarHBondContact O-N 2.94Å; D827-T829 WeakPolarHBondContact OD1-CB 3.38Å; D827-T829 PolarHBondContact OD1-N 3.22Å; D827-T829 PolarHBondContact OD1-OG1 3.48Å; D827-T829 PolarHBondContact OD2-OG1 3.37Å; T829-Q831 WeakPolarHBondContact OG1-CG 3.1Å; T829-Q831 PolarHBondContact OG1-NE2 2.74Å |
| 830 | C | 65.2 | Low | 53.5 | Low | 16 Ų | 16 | 77.1 Ų | 77.1 | 11% | 0.108 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 110.3 | 177.4 | -64.8 | 0 | 0 | 0 | 0 | 110.7 | G804 C818 L822 | G804-C830 PolarHBondContact O-SG 2.74Å; G804-C830 VanDerWaalsContact O-SG 3.37Å; C818-C830 WeakPolarHBondContact CA-SG 3.36Å; C818-C830 HydrophobicContact CB-CB 3.63Å; C818-C830 WeakPolarHBondContact CB-SG 3.23Å; C818-C830 WeakPolarHBondContact SG-CA 3.47Å; C818-C830 WeakPolarHBondContact SG-CB 3.49Å; C818-C830 CovalentContact SG-SG 2.03Å; C818-C830 PolarHBondContact SG-SG 2.81Å; L822-C830 HydrophobicContact CB-CB 3.99Å; L822-C830 HydrophobicContact CD1-CB 3.98Å |
| 831 | Q | 64.4 | Low | 52.2 | Low | 78 Ų | 78 | 76.5 Ų | 76.5 | 36% | 0.364 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 162.5 | -178.8 | -44.5 | 174.8 | 4.8 | 0 | 0 | 112 | L822 K823 M825 D827 T829 | L822-Q831 WeakPolarHBondContact CA-O 3.39Å; K823-Q831 PolarHBondContact N-O 2.83Å; K823-Q831 PolarHBondContact O-N 2.96Å; M825-Q831 HydrophobicContact CB-CG 4.43Å; M825-Q831 HydrophobicContact CG-CB 3.5Å; M825-Q831 HydrophobicContact CG-CG 3.61Å; M825-Q831 HydrophobicContact SD-CB 4.32Å; D827-Q831 PolarHBondContact OD2-NE2 2.74Å; T829-Q831 WeakPolarHBondContact OG1-CG 3.1Å; T829-Q831 PolarHBondContact OG1-NE2 2.74Å |
| 832 | A | 56 | Low | 51.2 | Low | 39 Ų | 39 | 80.6 Ų | 80.6 | 32% | 0.322 | 44% | 0.438 | S | S | . | . | trans | -79.6 | 127.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | S834 V838 | A832-S834 PolarHBondContact O-N 3.37Å; A832-V838 HydrophobicContact CB-CG2 4.17Å | ||
| 833 | T | 53.5 | Low | 49.9 | Very low | 65 Ų | 65 | 79.4 Ų | 79.4 | 40% | 0.399 | 44% | 0.442 | S | S | . | . | trans | -82.2 | -2.4 | -166.3 | 38.4 | 0 | 0 | 0 | 0 | 117.7 | K823 M825 | K823-T833 HydrophobicContact CB-CG2 3.83Å; K823-T833 HydrophobicContact CD-CG2 3.85Å; K823-T833 HydrophobicContact CG-CG2 4.31Å; M825-T833 HydrophobicContact SD-CG2 3.57Å; M825-T833 VanDerWaalsContact SD-CG2 3.57Å | ||
| 834 | S | 46 | Very low | 48.9 | Very low | 42 Ų | 42 | 76.3 Ų | 76.3 | 29% | 0.294 | 43% | 0.433 | S | S | . | . | trans | -150.1 | 139.4 | -174.7 | 176.8 | 0 | 0 | 0 | 0 | 111.7 | A832 V836 D837 V838 | A832-S834 PolarHBondContact O-N 3.37Å; S834-V836 PolarHBondContact O-N 3.43Å; S834-V836 WeakPolarHBondContact OG-CB 3.15Å; S834-V836 PolarHBondContact OG-N 2.66Å; S834-D837 WeakPolarHBondContact CB-OD2 3.38Å; S834-D837 CarbonylContact O-C 3.55Å; S834-D837 WeakPolarHBondContact O-CA 3.24Å; S834-D837 PolarHBondContact O-N 3.47Å; S834-V838 WeakPolarHBondContact O-CG2 3.31Å; S834-V838 PolarHBondContact O-N 2.98Å | ||
| 835 | L | 44.6 | Very low | 47.7 | Very low | 151 Ų | 151 | 78.7 Ų | 78.7 | 79% | 0.791 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -64.4 | -16.9 | 168.4 | -90.5 | 159 | 0 | 0 | 0 | 113.1 | A839 | L835-A839 VanDerWaalsContact O-CB 3.31Å; L835-A839 WeakPolarHBondContact O-CB 3.46Å; L835-A839 PolarHBondContact O-N 2.83Å |
| 836 | V | 45.7 | Very low | 47.5 | Very low | 99 Ų | 99 | 76.4 Ų | 76.4 | 60% | 0.6 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -80.4 | -33.9 | 170.2 | -171.2 | 0 | 0 | 0 | 0 | 110.8 | S834 A839 N840 | S834-V836 PolarHBondContact O-N 3.43Å; S834-V836 WeakPolarHBondContact OG-CB 3.15Å; S834-V836 PolarHBondContact OG-N 2.66Å; V836-A839 CarbonylContact O-C 3.46Å; V836-A839 WeakPolarHBondContact O-CB 3Å; V836-A839 PolarHBondContact O-N 2.76Å; V836-N840 PolarHBondContact O-N 2.71Å |
| 837 | D | 38.8 | Very low | 47.7 | Very low | 78 Ų | 78 | 73.5 Ų | 73.5 | 42% | 0.417 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -74 | -30 | 170.1 | -62.9 | -32.8 | 0 | 0 | 0 | 111 | S834 A839 N840 Y841 | S834-D837 WeakPolarHBondContact CB-OD2 3.38Å; S834-D837 CarbonylContact O-C 3.55Å; S834-D837 WeakPolarHBondContact O-CA 3.24Å; S834-D837 PolarHBondContact O-N 3.47Å; D837-A839 VanDerWaalsContact C-N 3.35Å; D837-N840 CarbonylContact O-C 3.51Å; D837-N840 PolarHBondContact O-N 2.96Å; D837-Y841 WeakPolarHBondContact O-CB 3.39Å; D837-Y841 PolarHBondContact O-N 2.81Å |
| 838 | V | 37 | Very low | 48.1 | Very low | 46 Ų | 46 | 75.6 Ų | 75.6 | 28% | 0.279 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -72.3 | -28.1 | 166.8 | 180 | 0 | 0 | 0 | 0 | 111.1 | A832 S834 N840 Y841 L842 | A832-V838 HydrophobicContact CB-CG2 4.17Å; S834-V838 WeakPolarHBondContact O-CG2 3.31Å; S834-V838 PolarHBondContact O-N 2.98Å; V838-N840 VanDerWaalsContact C-N 3.31Å; V838-Y841 CarbonylContact O-C 3.47Å; V838-Y841 WeakPolarHBondContact O-CB 3.39Å; V838-Y841 PolarHBondContact O-N 3.12Å; V838-L842 HydrophobicContact CG1-CD1 4.13Å; V838-L842 VanDerWaalsContact O-CB 3.3Å; V838-L842 WeakPolarHBondContact O-CB 3.21Å; V838-L842 WeakPolarHBondContact O-CG 3.09Å; V838-L842 PolarHBondContact O-N 3.23Å |
| 839 | A | 37.3 | Very low | 48.4 | Very low | 53 Ų | 53 | 74.8 Ų | 74.8 | 44% | 0.438 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -72.8 | -24.5 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L835 V836 D837 L842 G843 | L835-A839 VanDerWaalsContact O-CB 3.31Å; L835-A839 WeakPolarHBondContact O-CB 3.46Å; L835-A839 PolarHBondContact O-N 2.83Å; V836-A839 CarbonylContact O-C 3.46Å; V836-A839 WeakPolarHBondContact O-CB 3Å; V836-A839 PolarHBondContact O-N 2.76Å; D837-A839 VanDerWaalsContact C-N 3.35Å; A839-L842 CarbonylContact O-C 3.55Å; A839-G843 WeakPolarHBondContact O-CA 3.28Å; A839-G843 PolarHBondContact O-N 2.77Å |
| 840 | N | 36.7 | Very low | 48.9 | Very low | 102 Ų | 102 | 78 Ų | 78 | 55% | 0.545 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -86.1 | -11.9 | 165.7 | -70.6 | -23.6 | 0 | 0 | 0 | 112.9 | V836 D837 V838 G843 V844 | V836-N840 PolarHBondContact O-N 2.71Å; D837-N840 CarbonylContact O-C 3.51Å; D837-N840 PolarHBondContact O-N 2.96Å; V838-N840 VanDerWaalsContact C-N 3.31Å; N840-G843 CarbonylContact O-C 3.53Å; N840-V844 WeakPolarHBondContact O-CG2 3.26Å; N840-V844 PolarHBondContact O-N 2.66Å |
| 841 | Y | 39.1 | Very low | 49.2 | Very low | 180 Ų | 180 | 79.1 Ų | 79.1 | 71% | 0.706 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -83.6 | -42.1 | 169.3 | -160.8 | -99.4 | 0 | 0 | 0 | 110.6 | D837 V838 G843 V844 | D837-Y841 WeakPolarHBondContact O-CB 3.39Å; D837-Y841 PolarHBondContact O-N 2.81Å; V838-Y841 CarbonylContact O-C 3.47Å; V838-Y841 WeakPolarHBondContact O-CB 3.39Å; V838-Y841 PolarHBondContact O-N 3.12Å; Y841-G843 PolarHBondContact O-N 2.87Å; Y841-V844 WeakPolarHBondContact O-CG2 3.48Å; Y841-V844 PolarHBondContact O-N 3.11Å |
| 842 | L | 39.3 | Very low | 50 | Low | 149 Ų | 149 | 77.6 Ų | 77.6 | 78% | 0.78 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -13.4 | 161.5 | -71.5 | 159.7 | 0 | 0 | 0 | 112.4 | V838 A839 | V838-L842 HydrophobicContact CG1-CD1 4.13Å; V838-L842 VanDerWaalsContact O-CB 3.3Å; V838-L842 WeakPolarHBondContact O-CB 3.21Å; V838-L842 WeakPolarHBondContact O-CG 3.09Å; V838-L842 PolarHBondContact O-N 3.23Å; A839-L842 CarbonylContact O-C 3.55Å |
| 843 | G | 38.9 | Very low | 50.9 | Low | 40 Ų | 40 | 81.4 Ų | 81.4 | 41% | 0.412 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | 15.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | A839 N840 Y841 Q845 | A839-G843 WeakPolarHBondContact O-CA 3.28Å; A839-G843 PolarHBondContact O-N 2.77Å; N840-G843 CarbonylContact O-C 3.53Å; Y841-G843 PolarHBondContact O-N 2.87Å; G843-Q845 PolarHBondContact O-N 2.9Å |
| 844 | V | 43.6 | Very low | 52 | Low | 63 Ų | 63 | 81.5 Ų | 81.5 | 38% | 0.382 | 47% | 0.465 | S | S | . | . | trans | -63.5 | 100.4 | 161.9 | 174.8 | 0 | 0 | 0 | 0 | 104.7 | N840 Y841 C846 P860 | N840-V844 WeakPolarHBondContact O-CG2 3.26Å; N840-V844 PolarHBondContact O-N 2.66Å; Y841-V844 WeakPolarHBondContact O-CG2 3.48Å; Y841-V844 PolarHBondContact O-N 3.11Å; V844-C846 PolarHBondContact O-N 2.9Å; V844-P860 HydrophobicContact CG1-CB 4.13Å; V844-P860 HydrophobicContact CG1-CG 4.15Å | ||
| 845 | Q | 40.1 | Very low | 53.6 | Low | 137 Ų | 137 | 80.3 Ų | 80.3 | 64% | 0.64 | 46% | 0.458 | S | S | * | . | trans | -47.5 | 112.9 | 167.1 | -89.9 | -178.1 | -27.4 | 0 | 0 | 107.1 | G843 G847 | G843-Q845 PolarHBondContact O-N 2.9Å; Q845-G847 WeakPolarHBondContact CB-O 3.13Å; Q845-G847 PolarHBondContact O-N 2.88Å | ||
| 846 | C | 50.3 | Low | 55.1 | Low | 0 Ų | 0 | 79.6 Ų | 79.6 | 0% | 0 | 45% | 0.445 | C | S | . | . | B | Isolated β-bridge | trans | -75.3 | 84.8 | 176.2 | -151.6 | 0 | 0 | 0 | 0 | 104.5 | V844 S848 V849 C857 A863 F864 | V844-C846 PolarHBondContact O-N 2.9Å; C846-S848 PolarHBondContact O-N 2.78Å; C846-S848 VanDerWaalsContact O-N 3.11Å; C846-V849 WeakPolarHBondContact CB-O 3.03Å; C846-V849 PolarHBondContact N-O 2.7Å; C846-V849 WeakPolarHBondContact O-CA 3.2Å; C846-V849 WeakPolarHBondContact O-CB 3.34Å; C846-V849 PolarHBondContact O-N 3.02Å; C846-C857 VanDerWaalsContact CA-SG 3.54Å; C846-C857 HydrophobicContact CB-CB 3.74Å; C846-C857 WeakPolarHBondContact CB-SG 3.31Å; C846-C857 WeakPolarHBondContact SG-CB 3.38Å; C846-C857 CovalentContact SG-SG 2.04Å; C846-C857 PolarHBondContact SG-SG 2.81Å; C846-A863 VanDerWaalsContact C-CA 3.47Å; C846-A863 WeakPolarHBondContact O-CA 3.41Å; C846-A863 WeakPolarHBondContact O-CB 3.46Å; C846-A863 VanDerWaalsContact SG-C 3.53Å; C846-F864 VanDerWaalsContact SG-C 3.58Å; C846-F864 PolarHBondContact SG-N 3.28Å; C846-F864 VanDerWaalsContact SG-N 3.37Å; C846-F864 PolarHBondContact SG-O 3.3Å; C846-F864 VanDerWaalsContact SG-O 3.32Å |
| 847 | G | 59.3 | Low | 56.4 | Low | 30 Ų | 30 | 76.8 Ų | 76.8 | 31% | 0.309 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.8 | -115.9 | -163.4 | 0 | 0 | 0 | 0 | 0 | 112 | Q845 P860 | Q845-G847 WeakPolarHBondContact CB-O 3.13Å; Q845-G847 PolarHBondContact O-N 2.88Å; G847-P860 WeakPolarHBondContact CA-O 3.46Å; G847-P860 PolarHBondContact N-O 2.9Å |
| 848 | S | 61.1 | Low | 57.8 | Low | 107 Ų | 107 | 77.3 Ų | 77.3 | 75% | 0.748 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | 7.9 | 179.1 | -56.3 | 0 | 0 | 0 | 0 | 114.4 | C846 | C846-S848 PolarHBondContact O-N 2.78Å; C846-S848 VanDerWaalsContact O-N 3.11Å |
| 849 | V | 59.7 | Low | 58.8 | Low | 39 Ų | 39 | 77.1 Ų | 77.1 | 24% | 0.236 | 43% | 0.428 | C | S | . | . | B | Isolated β-bridge | trans | -122.2 | 129.6 | -164.3 | -178.4 | 0 | 0 | 0 | 0 | 111.2 | C846 A863 V876 | C846-V849 WeakPolarHBondContact CB-O 3.03Å; C846-V849 PolarHBondContact N-O 2.7Å; C846-V849 WeakPolarHBondContact O-CA 3.2Å; C846-V849 WeakPolarHBondContact O-CB 3.34Å; C846-V849 PolarHBondContact O-N 3.02Å; V849-A863 HydrophobicContact CB-CB 4.1Å; V849-A863 HydrophobicContact CG2-CB 3.75Å; V849-V876 HydrophobicContact CG1-CB 4.1Å; V849-V876 HydrophobicContact CG1-CG1 3.52Å; V849-V876 HydrophobicContact CG1-CG2 3.39Å |
| 850 | N | 69.4 | Low | 59.7 | Low | 123 Ų | 123 | 77.4 Ų | 77.4 | 66% | 0.658 | 43% | 0.425 | S | S | * | . | P | Polyproline II helix | trans | -88.8 | 116.8 | 170.8 | -74 | -15.1 | 0 | 0 | 0 | 109.1 | ||
| 851 | C | 73.4 | Confident | 60.6 | Low | 40 Ų | 40 | 79.9 Ų | 79.9 | 27% | 0.27 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 150.9 | 175.3 | -52.9 | 0 | 0 | 0 | 0 | 111.9 | A855 C865 G875 | C851-A855 HydrophobicContact CB-CB 4.2Å; C851-C865 WeakPolarHBondContact CA-SG 3.12Å; C851-C865 HydrophobicContact CB-CB 3.67Å; C851-C865 WeakPolarHBondContact CB-SG 3.43Å; C851-C865 WeakPolarHBondContact SG-CB 3.37Å; C851-C865 CovalentContact SG-SG 2.04Å; C851-C865 PolarHBondContact SG-SG 3.44Å; C851-G875 CarbonylContact C-O 3.55Å; C851-G875 VanDerWaalsContact CA-O 3.31Å; C851-G875 WeakPolarHBondContact CA-O 3.5Å |
| 852 | H | 80.4 | Confident | 61.8 | Low | 46 Ų | 46 | 78.5 Ų | 78.5 | 21% | 0.213 | 44% | 0.438 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 155.9 | 174.5 | -176.8 | -103.9 | 0 | 0 | 0 | 111.3 | H854 A855 G875 V876 C879 | H852-H854 AromaticContact CE1-ND1 3.66Å; H852-H854 PolarHBondContact ND1-N 3.32Å; H852-H854 PolarHBondContact O-N 3.42Å; H852-A855 HydrophobicContact CB-CB 4.2Å; H852-A855 WeakPolarHBondContact O-CB 3.24Å; H852-A855 PolarHBondContact O-N 2.58Å; H852-G875 PolarHBondContact N-O 3.19Å; H852-V876 PolarHBondContact N-O 3.02Å; H852-C879 PolarHBondContact CE1-N 3.45Å; H852-C879 WeakPolarHBondContact ND1-CB 3.3Å; H852-C879 PolarHBondContact ND1-N 3.36Å |
| 853 | T | 74.8 | Confident | 62.9 | Low | 120 Ų | 120 | 72.6 Ų | 72.6 | 74% | 0.736 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -21.7 | -177.1 | 53.3 | 0 | 0 | 0 | 0 | 114.8 | ||
| 854 | H | 76.1 | Confident | 64.5 | Low | 67 Ų | 67 | 76.2 Ų | 76.2 | 31% | 0.31 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109 | 33.7 | 175 | -59.1 | 73.9 | 0 | 0 | 0 | 111.2 | H852 C867 L868 Y871 C879 | H852-H854 AromaticContact CE1-ND1 3.66Å; H852-H854 PolarHBondContact ND1-N 3.32Å; H852-H854 PolarHBondContact O-N 3.42Å; H854-C867 CarbonylContact O-C 3.59Å; H854-C867 WeakPolarHBondContact O-CA 3.45Å; H854-L868 WeakPolarHBondContact O-CG 3.37Å; H854-L868 PolarHBondContact O-N 3.31Å; H854-Y871 HydrophobicContact CB-CD1 4.12Å; H854-Y871 HydrophobicContact CB-CE1 4.26Å; H854-Y871 HydrophobicContact CB-CG 4.28Å; H854-Y871 AromaticContact CD2-CE1 3.45Å; H854-Y871 VanDerWaalsContact CD2-CE1 3.45Å; H854-Y871 WeakPolarHBondContact CD2-CE1 3.28Å; H854-Y871 AromaticContact CD2-CE2 3.92Å; H854-Y871 AromaticContact CD2-CZ 3.32Å; H854-Y871 PolarHBondContact CD2-OH 3.3Å; H854-Y871 AromaticContact CG-CE1 3.94Å; H854-Y871 AromaticContact NE2-CZ 3.96Å; H854-C879 HydrophobicContact CB-CB 4.1Å |
| 855 | A | 80 | Confident | 66.1 | Low | 17 Ų | 17 | 73.7 Ų | 73.7 | 14% | 0.14 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 161.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | C851 H852 Q866 G875 | C851-A855 HydrophobicContact CB-CB 4.2Å; H852-A855 HydrophobicContact CB-CB 4.2Å; H852-A855 WeakPolarHBondContact O-CB 3.24Å; H852-A855 PolarHBondContact O-N 2.58Å; A855-Q866 CarbonylContact C-O 3.53Å; A855-Q866 WeakPolarHBondContact CA-O 2.99Å; A855-Q866 VanDerWaalsContact CB-O 3.29Å; A855-Q866 WeakPolarHBondContact CB-O 3.34Å; A855-G875 VanDerWaalsContact CB-O 3.23Å; A855-G875 WeakPolarHBondContact CB-O 3.24Å |
| 856 | R | 76.7 | Confident | 67.9 | Low | 136 Ų | 136 | 70.7 Ų | 70.7 | 51% | 0.513 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 147.5 | 174.4 | 64.3 | -178.7 | -179.7 | -176.6 | 1.6 | 110.4 | C865 Q866 | R856-C865 WeakPolarHBondContact O-CA 3.22Å; R856-Q866 PolarHBondContact N-O 2.03Å; R856-Q866 VanDerWaalsContact NE-OE1 3.15Å; R856-Q866 PolarHBondContact O-N 3.3Å |
| 857 | C | 72.5 | Confident | 69.3 | Low | 40 Ų | 40 | 71.5 Ų | 71.5 | 27% | 0.27 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 133.2 | 168.1 | -174.6 | 0 | 0 | 0 | 0 | 109.2 | C846 | C846-C857 VanDerWaalsContact CA-SG 3.54Å; C846-C857 HydrophobicContact CB-CB 3.74Å; C846-C857 WeakPolarHBondContact CB-SG 3.31Å; C846-C857 WeakPolarHBondContact SG-CB 3.38Å; C846-C857 CovalentContact SG-SG 2.04Å; C846-C857 PolarHBondContact SG-SG 2.81Å |
| 858 | I | 68.1 | Low | 70.1 | Confident | 89 Ų | 89 | 73.2 Ų | 73.2 | 46% | 0.456 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | -48.4 | 173.9 | -48.8 | -173.4 | 0 | 0 | 0 | 111 | F864 Q866 | I858-F864 HydrophobicContact CB-CD1 4.2Å; I858-F864 HydrophobicContact CD1-CD1 4Å; I858-F864 HydrophobicContact CD1-CE1 3.86Å; I858-F864 HydrophobicContact CG1-CD1 4.16Å; I858-F864 HydrophobicContact CG1-CE1 4.48Å; I858-F864 PolarHBondContact N-O 3.38Å; I858-Q866 HydrophobicContact CD1-CB 3.75Å; I858-Q866 HydrophobicContact CD1-CG 4.25Å; I858-Q866 HydrophobicContact CG1-CB 4.02Å |
| 859 | D | 57.5 | Low | 70.3 | Confident | 42 Ų | 42 | 73.7 Ų | 73.7 | 23% | 0.225 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 105.1 | 178.1 | -173.4 | -14.8 | 0 | 0 | 0 | 109.8 | N861 Q862 A863 F864 | D859-N861 PolarHBondContact O-N 3.26Å; D859-N861 WeakPolarHBondContact OD1-CA 3.26Å; D859-N861 WeakPolarHBondContact OD1-CB 3.32Å; D859-N861 PolarHBondContact OD1-N 2.78Å; D859-Q862 HydrophobicContact CB-CB 4.16Å; D859-Q862 PolarHBondContact O-N 3.25Å; D859-Q862 PolarHBondContact OD1-N 3.37Å; D859-Q862 WeakPolarHBondContact OD2-CG 3.42Å; D859-Q862 PolarHBondContact OD2-NE2 2.86Å; D859-A863 PolarHBondContact O-N 2.75Å; D859-A863 VanDerWaalsContact O-N 3.16Å; D859-F864 PolarHBondContact O-N 3.05Å |
| 860 | P | 55.9 | Low | 70.5 | Confident | 59 Ų | 59 | 73.7 Ų | 73.7 | 38% | 0.383 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -25.7 | 176.7 | -23.6 | 34.2 | 0 | 0 | 0 | 113.8 | V844 G847 | V844-P860 HydrophobicContact CG1-CB 4.13Å; V844-P860 HydrophobicContact CG1-CG 4.15Å; G847-P860 WeakPolarHBondContact CA-O 3.46Å; G847-P860 PolarHBondContact N-O 2.9Å |
| 861 | N | 56.6 | Low | 70.9 | Confident | 153 Ų | 153 | 71.4 Ų | 71.4 | 82% | 0.818 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -30.2 | -178.4 | -57.7 | -52.4 | 0 | 0 | 0 | 112 | D859 | D859-N861 PolarHBondContact O-N 3.26Å; D859-N861 WeakPolarHBondContact OD1-CA 3.26Å; D859-N861 WeakPolarHBondContact OD1-CB 3.32Å; D859-N861 PolarHBondContact OD1-N 2.78Å |
| 862 | Q | 64.1 | Low | 70.8 | Confident | 151 Ų | 151 | 74 Ų | 74 | 71% | 0.706 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | -1.9 | 179.3 | -68.1 | -175.1 | 60 | 0 | 0 | 114.2 | D859 F864 | D859-Q862 HydrophobicContact CB-CB 4.16Å; D859-Q862 PolarHBondContact O-N 3.25Å; D859-Q862 PolarHBondContact OD1-N 3.37Å; D859-Q862 WeakPolarHBondContact OD2-CG 3.42Å; D859-Q862 PolarHBondContact OD2-NE2 2.86Å; Q862-F864 VanDerWaalsContact C-N 3.28Å; Q862-F864 PolarHBondContact O-N 2.97Å |
| 863 | A | 62.5 | Low | 70.9 | Confident | 25 Ų | 25 | 74.1 Ų | 74.1 | 21% | 0.207 | 40% | 0.402 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.5 | 32.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | C846 V849 D859 | C846-A863 VanDerWaalsContact C-CA 3.47Å; C846-A863 WeakPolarHBondContact O-CA 3.41Å; C846-A863 WeakPolarHBondContact O-CB 3.46Å; C846-A863 VanDerWaalsContact SG-C 3.53Å; V849-A863 HydrophobicContact CB-CB 4.1Å; V849-A863 HydrophobicContact CG2-CB 3.75Å; D859-A863 PolarHBondContact O-N 2.75Å; D859-A863 VanDerWaalsContact O-N 3.16Å |
| 864 | F | 72.2 | Confident | 70.8 | Confident | 117 Ų | 117 | 72.4 Ų | 72.4 | 51% | 0.513 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 111.3 | -172.6 | -170.9 | -103.2 | 0 | 0 | 0 | 113.4 | C846 I858 D859 Q862 Q866 | C846-F864 VanDerWaalsContact SG-C 3.58Å; C846-F864 PolarHBondContact SG-N 3.28Å; C846-F864 VanDerWaalsContact SG-N 3.37Å; C846-F864 PolarHBondContact SG-O 3.3Å; C846-F864 VanDerWaalsContact SG-O 3.32Å; I858-F864 HydrophobicContact CB-CD1 4.2Å; I858-F864 HydrophobicContact CD1-CD1 4Å; I858-F864 HydrophobicContact CD1-CE1 3.86Å; I858-F864 HydrophobicContact CG1-CD1 4.16Å; I858-F864 HydrophobicContact CG1-CE1 4.48Å; I858-F864 PolarHBondContact N-O 3.38Å; D859-F864 PolarHBondContact O-N 3.05Å; Q862-F864 VanDerWaalsContact C-N 3.28Å; Q862-F864 PolarHBondContact O-N 2.97Å; F864-Q866 HydrophobicContact CE1-CB 4.48Å |
| 865 | C | 76.7 | Confident | 70.7 | Confident | 10 Ų | 10 | 69.2 Ų | 69.2 | 7% | 0.068 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 135.2 | 176.7 | -59.6 | 0 | 0 | 0 | 0 | 111.9 | C851 R856 G875 V876 | C851-C865 WeakPolarHBondContact CA-SG 3.12Å; C851-C865 HydrophobicContact CB-CB 3.67Å; C851-C865 WeakPolarHBondContact CB-SG 3.43Å; C851-C865 WeakPolarHBondContact SG-CB 3.37Å; C851-C865 CovalentContact SG-SG 2.04Å; C851-C865 PolarHBondContact SG-SG 3.44Å; R856-C865 WeakPolarHBondContact O-CA 3.22Å; C865-G875 WeakPolarHBondContact CB-O 2.98Å; C865-V876 HydrophobicContact CB-CG2 4.01Å |
| 866 | Q | 77.7 | Confident | 70.6 | Confident | 74 Ų | 74 | 71.1 Ų | 71.1 | 35% | 0.346 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 128.6 | 178.5 | -177 | -170 | 47.8 | 0 | 0 | 110.7 | A855 R856 I858 F864 | A855-Q866 CarbonylContact C-O 3.53Å; A855-Q866 WeakPolarHBondContact CA-O 2.99Å; A855-Q866 VanDerWaalsContact CB-O 3.29Å; A855-Q866 WeakPolarHBondContact CB-O 3.34Å; R856-Q866 PolarHBondContact N-O 2.03Å; R856-Q866 VanDerWaalsContact NE-OE1 3.15Å; R856-Q866 PolarHBondContact O-N 3.3Å; I858-Q866 HydrophobicContact CD1-CB 3.75Å; I858-Q866 HydrophobicContact CD1-CG 4.25Å; I858-Q866 HydrophobicContact CG1-CB 4.02Å; F864-Q866 HydrophobicContact CE1-CB 4.48Å |
| 867 | C | 80.8 | Confident | 70.7 | Confident | 17 Ų | 17 | 68.9 Ų | 68.9 | 12% | 0.115 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 148.1 | 172.9 | -63.3 | 0 | 0 | 0 | 0 | 112.1 | H854 C879 | H854-C867 CarbonylContact O-C 3.59Å; H854-C867 WeakPolarHBondContact O-CA 3.45Å; C867-C879 HydrophobicContact CB-CB 3.91Å; C867-C879 WeakPolarHBondContact CB-SG 3.5Å; C867-C879 WeakPolarHBondContact SG-CB 3.45Å; C867-C879 CovalentContact SG-SG 2.05Å; C867-C879 PolarHBondContact SG-SG 3.47Å |
| 868 | L | 75.2 | Confident | 70.9 | Confident | 66 Ų | 66 | 71.3 Ų | 71.3 | 35% | 0.346 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -69.5 | 155.3 | 178.3 | -66.6 | 173.3 | 0 | 0 | 0 | 111.6 | H854 G870 Y871 | H854-L868 WeakPolarHBondContact O-CG 3.37Å; H854-L868 PolarHBondContact O-N 3.31Å; L868-G870 PolarHBondContact O-N 2.78Å; L868-Y871 HydrophobicContact CB-CD2 4.43Å; L868-Y871 WeakPolarHBondContact O-CB 3.28Å; L868-Y871 PolarHBondContact O-N 2.94Å |
| 869 | P | 66.5 | Low | 71.4 | Confident | 117 Ų | 117 | 67.6 Ų | 67.6 | 76% | 0.76 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | 134.7 | 178.8 | -27.6 | 35.5 | 0 | 0 | 0 | 113.2 | Y871 | P869-Y871 VanDerWaalsContact C-N 3.33Š|
| 870 | G | 63.9 | Low | 72.4 | Confident | 38 Ų | 38 | 69 Ų | 69 | 39% | 0.392 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.5 | -4.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | L868 D882 S885 | L868-G870 PolarHBondContact O-N 2.78Å; G870-D882 PolarHBondContact O-N 3.01Å; G870-S885 PolarHBondContact O-OG 3.2Å |
| 871 | Y | 77 | Confident | 73.1 | Confident | 76 Ų | 76 | 71.9 Ų | 71.9 | 30% | 0.298 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 148.6 | 175 | -60.9 | -102.4 | 0 | 0 | 0 | 111.4 | H854 L868 P869 C879 E880 N881 | H854-Y871 HydrophobicContact CB-CD1 4.12Å; H854-Y871 HydrophobicContact CB-CE1 4.26Å; H854-Y871 HydrophobicContact CB-CG 4.28Å; H854-Y871 AromaticContact CD2-CE1 3.45Å; H854-Y871 VanDerWaalsContact CD2-CE1 3.45Å; H854-Y871 WeakPolarHBondContact CD2-CE1 3.28Å; H854-Y871 AromaticContact CD2-CE2 3.92Å; H854-Y871 AromaticContact CD2-CZ 3.32Å; H854-Y871 PolarHBondContact CD2-OH 3.3Å; H854-Y871 AromaticContact CG-CE1 3.94Å; H854-Y871 AromaticContact NE2-CZ 3.96Å; L868-Y871 HydrophobicContact CB-CD2 4.43Å; L868-Y871 WeakPolarHBondContact O-CB 3.28Å; L868-Y871 PolarHBondContact O-N 2.94Å; P869-Y871 VanDerWaalsContact C-N 3.33Å; Y871-C879 HydrophobicContact CD1-CB 4.49Å; Y871-E880 CarbonylContact C-O 3.53Å; Y871-E880 WeakPolarHBondContact CA-O 3.32Å; Y871-N881 WeakPolarHBondContact CE1-OD1 3.14Å |
| 872 | R | 72.7 | Confident | 73.8 | Confident | 95 Ų | 95 | 66.5 Ų | 66.5 | 36% | 0.358 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 159.7 | 171.4 | 70.2 | 171 | -168.3 | -159.6 | 8.2 | 110.9 | C879 E880 D882 | R872-C879 CarbonylContact O-C 3.54Å; R872-C879 VanDerWaalsContact O-CA 3.29Å; R872-C879 WeakPolarHBondContact O-CA 3.37Å; R872-E880 HydrophobicContact CG-CG 3.99Å; R872-E880 IonicContact CZ-OE1 3.32Å; R872-E880 VanDerWaalsContact CZ-OE1 3.24Å; R872-E880 PolarHBondContact N-O 3.38Å; R872-E880 IonicContact NE-OE1 3.62Å; R872-E880 PolarHBondContact NE-OE1 2.74Å; R872-E880 IonicContact NH2-OE1 3.05Å; R872-E880 PolarHBondContact NH2-OE1 3.43Å; R872-E880 PolarHBondContact O-N 2.92Å; R872-D882 HydrophobicContact CB-CB 3.95Å; R872-D882 WeakPolarHBondContact CD-OD1 3.33Å; R872-D882 HydrophobicContact CG-CB 3.87Å; R872-D882 IonicContact NH1-OD1 4Å |
| 873 | G | 81.8 | Confident | 73.8 | Confident | 47 Ų | 47 | 62 Ų | 62 | 49% | 0.485 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 149.5 | -163.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | G875 H878 | G873-G875 PolarHBondContact O-N 3Å; G873-H878 CarbonylContact C-O 3.28Å; G873-H878 VanDerWaalsContact CA-O 3.29Å; G873-H878 WeakPolarHBondContact CA-O 3.36Å |
| 874 | D | 72.3 | Confident | 74 | Confident | 84 Ų | 84 | 62.3 Ų | 62.3 | 45% | 0.449 | 35% | 0.351 | S | S | . | . | trans | -77.8 | -7.7 | -177.6 | 70 | -0.9 | 0 | 0 | 0 | 113.4 | V876 S877 H878 | D874-V876 PolarHBondContact O-N 3.17Å; D874-V876 PolarHBondContact OD1-N 2.91Å; D874-S877 PolarHBondContact OD1-N 3.04Å; D874-S877 WeakPolarHBondContact OD2-CB 3.39Å; D874-S877 PolarHBondContact OD2-N 2.87Å; D874-S877 PolarHBondContact OD2-OG 2.71Å; D874-H878 PolarHBondContact N-O 3.46Å; D874-H878 VanDerWaalsContact N-O 3.09Å; D874-H878 PolarHBondContact OD1-N 3.28Å; D874-H878 VanDerWaalsContact OD1-O 3.12Å | ||
| 875 | G | 74.6 | Confident | 73.4 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 35% | 0.35 | C | S | . | . | S | Bend | trans | 73.8 | -2.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | C851 H852 A855 C865 G873 | C851-G875 CarbonylContact C-O 3.55Å; C851-G875 VanDerWaalsContact CA-O 3.31Å; C851-G875 WeakPolarHBondContact CA-O 3.5Å; H852-G875 PolarHBondContact N-O 3.19Å; A855-G875 VanDerWaalsContact CB-O 3.23Å; A855-G875 WeakPolarHBondContact CB-O 3.24Å; C865-G875 WeakPolarHBondContact CB-O 2.98Å; G873-G875 PolarHBondContact O-N 3Å |
| 876 | V | 77.8 | Confident | 72.8 | Confident | 57 Ų | 57 | 68.2 Ų | 68.2 | 35% | 0.345 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -123.7 | -62 | -166.5 | 176.4 | 0 | 0 | 0 | 0 | 111.1 | V849 H852 C865 D874 | V849-V876 HydrophobicContact CG1-CB 4.1Å; V849-V876 HydrophobicContact CG1-CG1 3.52Å; V849-V876 HydrophobicContact CG1-CG2 3.39Å; H852-V876 PolarHBondContact N-O 3.02Å; C865-V876 HydrophobicContact CB-CG2 4.01Å; D874-V876 PolarHBondContact O-N 3.17Å; D874-V876 PolarHBondContact OD1-N 2.91Å |
| 877 | S | 79 | Confident | 72.2 | Confident | 90 Ų | 90 | 66.3 Ų | 66.3 | 63% | 0.629 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -100.5 | -25.3 | 179.4 | 76.8 | 0 | 0 | 0 | 0 | 112.9 | D874 | D874-S877 PolarHBondContact OD1-N 3.04Å; D874-S877 WeakPolarHBondContact OD2-CB 3.39Å; D874-S877 PolarHBondContact OD2-N 2.87Å; D874-S877 PolarHBondContact OD2-OG 2.71Å |
| 878 | H | 75.7 | Confident | 71.2 | Confident | 90 Ų | 90 | 74.9 Ų | 74.9 | 42% | 0.417 | 41% | 0.408 | S | S | . | . | trans | -146.4 | 123 | -171.7 | -168 | 65.9 | 0 | 0 | 0 | 111.4 | G873 D874 E880 | G873-H878 CarbonylContact C-O 3.28Å; G873-H878 VanDerWaalsContact CA-O 3.29Å; G873-H878 WeakPolarHBondContact CA-O 3.36Å; D874-H878 PolarHBondContact N-O 3.46Å; D874-H878 VanDerWaalsContact N-O 3.09Å; D874-H878 PolarHBondContact OD1-N 3.28Å; D874-H878 VanDerWaalsContact OD1-O 3.12Å; H878-E880 IonicContact CD2-OE2 3.48Å; H878-E880 IonicContact CE1-OE2 3.18Å; H878-E880 IonicContact NE2-OE2 3.78Å; H878-E880 PolarHBondContact NE2-OE2 3.03Å | ||
| 879 | C | 78.9 | Confident | 70 | Confident | 11 Ų | 11 | 79.8 Ų | 79.8 | 7% | 0.074 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 119.6 | 153.6 | -61.2 | 0 | 0 | 0 | 0 | 108.5 | H852 H854 C867 Y871 R872 | H852-C879 PolarHBondContact CE1-N 3.45Å; H852-C879 WeakPolarHBondContact ND1-CB 3.3Å; H852-C879 PolarHBondContact ND1-N 3.36Å; H854-C879 HydrophobicContact CB-CB 4.1Å; C867-C879 HydrophobicContact CB-CB 3.91Å; C867-C879 WeakPolarHBondContact CB-SG 3.5Å; C867-C879 WeakPolarHBondContact SG-CB 3.45Å; C867-C879 CovalentContact SG-SG 2.05Å; C867-C879 PolarHBondContact SG-SG 3.47Å; Y871-C879 HydrophobicContact CD1-CB 4.49Å; R872-C879 CarbonylContact O-C 3.54Å; R872-C879 VanDerWaalsContact O-CA 3.29Å; R872-C879 WeakPolarHBondContact O-CA 3.37Å |
| 880 | E | 78.1 | Confident | 69.2 | Low | 72 Ų | 72 | 79.5 Ų | 79.5 | 34% | 0.336 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 156.1 | 175.6 | 58.6 | -177 | -157.7 | 0 | 0 | 111 | Y871 R872 H878 D882 | Y871-E880 CarbonylContact C-O 3.53Å; Y871-E880 WeakPolarHBondContact CA-O 3.32Å; R872-E880 HydrophobicContact CG-CG 3.99Å; R872-E880 IonicContact CZ-OE1 3.32Å; R872-E880 VanDerWaalsContact CZ-OE1 3.24Å; R872-E880 PolarHBondContact N-O 3.38Å; R872-E880 IonicContact NE-OE1 3.62Å; R872-E880 PolarHBondContact NE-OE1 2.74Å; R872-E880 IonicContact NH2-OE1 3.05Å; R872-E880 PolarHBondContact NH2-OE1 3.43Å; R872-E880 PolarHBondContact O-N 2.92Å; H878-E880 IonicContact CD2-OE2 3.48Å; H878-E880 IonicContact CE1-OE2 3.18Å; H878-E880 IonicContact NE2-OE2 3.78Å; H878-E880 PolarHBondContact NE2-OE2 3.03Å; E880-D882 PolarHBondContact O-N 3.38Å; E880-D882 VanDerWaalsContact O-N 3.12Å |
| 881 | N | 70.7 | Confident | 69.1 | Low | 120 Ų | 120 | 81 Ų | 81 | 64% | 0.642 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -56 | 119 | 171 | -64.6 | -28.9 | 0 | 0 | 0 | 108.8 | Y871 P883 | Y871-N881 WeakPolarHBondContact CE1-OD1 3.14Å; N881-P883 VanDerWaalsContact O-CD 3.26Å; N881-P883 WeakPolarHBondContact O-CD 3.26Å |
| 882 | D | 71.1 | Confident | 68.3 | Low | 39 Ų | 39 | 80.9 Ų | 80.9 | 21% | 0.209 | 42% | 0.415 | C | S | . | . | trans | -74.2 | 116.4 | -176.8 | -177.7 | 8.3 | 0 | 0 | 0 | 110 | G870 R872 E880 C884 S885 | G870-D882 PolarHBondContact O-N 3.01Å; R872-D882 HydrophobicContact CB-CB 3.95Å; R872-D882 WeakPolarHBondContact CD-OD1 3.33Å; R872-D882 HydrophobicContact CG-CB 3.87Å; R872-D882 IonicContact NH1-OD1 4Å; E880-D882 PolarHBondContact O-N 3.38Å; E880-D882 VanDerWaalsContact O-N 3.12Å; D882-C884 PolarHBondContact O-N 2.98Å; D882-C884 VanDerWaalsContact OD1-CB 3.24Å; D882-C884 WeakPolarHBondContact OD1-CB 3.26Å; D882-C884 PolarHBondContact OD1-N 3.48Å; D882-C884 PolarHBondContact OD1-SG 3.27Å; D882-C884 WeakPolarHBondContact OD2-CB 3.16Å; D882-S885 VanDerWaalsContact O-CB 3.23Å; D882-S885 WeakPolarHBondContact O-CB 3.5Å; D882-S885 PolarHBondContact O-N 3.23Å; D882-S885 PolarHBondContact O-OG 2.93Å | ||
| 883 | P | 64.7 | Low | 67.9 | Low | 57 Ų | 57 | 78.2 Ų | 78.2 | 37% | 0.37 | 41% | 0.41 | S | S | . | . | G | 310 helix | trans | -58.9 | -26 | 175.1 | 25.6 | -35.2 | 0 | 0 | 0 | 112.5 | N881 S885 K886 | N881-P883 VanDerWaalsContact O-CD 3.26Å; N881-P883 WeakPolarHBondContact O-CD 3.26Å; P883-S885 PolarHBondContact O-N 3.41Å; P883-K886 PolarHBondContact O-N 3.45Å |
| 884 | C | 66.2 | Low | 66.9 | Low | 32 Ų | 32 | 81.5 Ų | 81.5 | 22% | 0.216 | 41% | 0.413 | C | S | . | . | G | 310 helix | trans | -67.6 | -18.5 | 177.3 | -50.8 | 0 | 0 | 0 | 0 | 113.2 | D882 K886 C887 C893 | D882-C884 PolarHBondContact O-N 2.98Å; D882-C884 VanDerWaalsContact OD1-CB 3.24Å; D882-C884 WeakPolarHBondContact OD1-CB 3.26Å; D882-C884 PolarHBondContact OD1-N 3.48Å; D882-C884 PolarHBondContact OD1-SG 3.27Å; D882-C884 WeakPolarHBondContact OD2-CB 3.16Å; C884-K886 PolarHBondContact O-N 2.72Å; C884-C887 WeakPolarHBondContact O-CB 3.47Å; C884-C887 PolarHBondContact O-N 3.03Å; C884-C887 PolarHBondContact O-SG 2.89Å; C884-C887 VanDerWaalsContact O-SG 3.4Å; C884-C893 VanDerWaalsContact CA-SG 3.55Å; C884-C893 HydrophobicContact CB-CB 3.45Å; C884-C893 VanDerWaalsContact CB-CB 3.45Å; C884-C893 WeakPolarHBondContact CB-SG 3.49Å; C884-C893 WeakPolarHBondContact SG-CB 3.29Å; C884-C893 CovalentContact SG-SG 2.02Å; C884-C893 PolarHBondContact SG-SG 2.72Å |
| 885 | S | 60.9 | Low | 66.3 | Low | 70 Ų | 70 | 85 Ų | 85 | 49% | 0.49 | 43% | 0.432 | S | S | . | . | G | 310 helix | trans | -57.8 | -10.8 | 174 | -47.4 | 0 | 0 | 0 | 0 | 114.4 | G870 D882 P883 | G870-S885 PolarHBondContact O-OG 3.2Å; D882-S885 VanDerWaalsContact O-CB 3.23Å; D882-S885 WeakPolarHBondContact O-CB 3.5Å; D882-S885 PolarHBondContact O-N 3.23Å; D882-S885 PolarHBondContact O-OG 2.93Å; P883-S885 PolarHBondContact O-N 3.41Å |
| 886 | K | 62.5 | Low | 65.6 | Low | 181 Ų | 181 | 86.2 Ų | 86.2 | 79% | 0.787 | 44% | 0.444 | S | S | * | . | G | 310 helix | trans | -107 | -1.2 | 179.9 | -63.5 | -179.4 | 177.6 | 173.4 | 0 | 113.6 | P883 C884 | P883-K886 PolarHBondContact O-N 3.45Å; C884-K886 PolarHBondContact O-N 2.72Å |
| 887 | C | 65.3 | Low | 65.1 | Low | 33 Ų | 33 | 89.1 Ų | 89.1 | 22% | 0.223 | 46% | 0.457 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 145.8 | 174 | -59.7 | 0 | 0 | 0 | 0 | 110.4 | C884 E891 C898 | C884-C887 WeakPolarHBondContact O-CB 3.47Å; C884-C887 PolarHBondContact O-N 3.03Å; C884-C887 PolarHBondContact O-SG 2.89Å; C884-C887 VanDerWaalsContact O-SG 3.4Å; C887-E891 HydrophobicContact CB-CB 4.24Å; C887-C898 WeakPolarHBondContact CA-SG 3.3Å; C887-C898 HydrophobicContact CB-CB 3.69Å; C887-C898 WeakPolarHBondContact CB-SG 3.48Å; C887-C898 WeakPolarHBondContact SG-CB 3.46Å; C887-C898 CovalentContact SG-SG 2.04Å; C887-C898 PolarHBondContact SG-SG 3.04Å |
| 888 | R | 59.7 | Low | 64.2 | Low | 197 Ų | 197 | 86.8 Ų | 86.8 | 74% | 0.743 | 44% | 0.44 | S | S | * | . | P | Polyproline II helix | trans | -92.7 | 164.4 | 179.5 | -60.3 | 178.8 | 176 | -161.6 | -2.4 | 109.5 | N890 E891 | R888-N890 PolarHBondContact O-N 3.21Å; R888-E891 PolarHBondContact N-OE2 3.31Å; R888-E891 WeakPolarHBondContact O-CB 3.49Å; R888-E891 PolarHBondContact O-N 3.16Å; R888-E891 VanDerWaalsContact O-N 3.1Å |
| 889 | R | 49.9 | Very low | 63.6 | Low | 169 Ų | 169 | 86.1 Ų | 86.1 | 64% | 0.638 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.4 | 135.1 | 178.1 | -79.3 | -171.7 | 170.6 | 127.2 | -4.1 | 111.5 | E891 | R889-E891 VanDerWaalsContact C-N 3.34Š|
| 890 | N | 51.7 | Low | 62.6 | Low | 111 Ų | 111 | 89.8 Ų | 89.8 | 59% | 0.594 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.6 | 22.6 | -178.2 | -55.2 | 3.8 | 0 | 0 | 0 | 115.5 | R888 S901 | R888-N890 PolarHBondContact O-N 3.21Å; N890-S901 WeakPolarHBondContact O-CB 3.21Å; N890-S901 PolarHBondContact O-N 3.38Å |
| 891 | E | 61.2 | Low | 61.4 | Low | 71 Ų | 71 | 87.2 Ų | 87.2 | 33% | 0.332 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 122.1 | 168.2 | -61.8 | 171.4 | 171.7 | 0 | 0 | 110.9 | C887 R888 R889 C898 I899 | C887-E891 HydrophobicContact CB-CB 4.24Å; R888-E891 PolarHBondContact N-OE2 3.31Å; R888-E891 WeakPolarHBondContact O-CB 3.49Å; R888-E891 PolarHBondContact O-N 3.16Å; R888-E891 VanDerWaalsContact O-N 3.1Å; R889-E891 VanDerWaalsContact C-N 3.34Å; E891-C898 HydrophobicContact CB-CB 4.03Å; E891-C898 VanDerWaalsContact OE2-CB 3.26Å; E891-C898 WeakPolarHBondContact OE2-CB 3.38Å; E891-I899 CarbonylContact C-O 3.58Å; E891-I899 VanDerWaalsContact CA-O 3.24Å; E891-I899 WeakPolarHBondContact CA-O 3.24Å |
| 892 | I | 59.5 | Low | 60.8 | Low | 72 Ų | 72 | 85.5 Ų | 85.5 | 37% | 0.369 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 141.3 | 163.8 | -70.1 | 169.3 | 0 | 0 | 0 | 108.4 | C898 I899 S901 | I892-C898 WeakPolarHBondContact O-CA 3.47Å; I892-I899 PolarHBondContact N-O 2.77Å; I892-I899 WeakPolarHBondContact O-CG1 3.43Å; I892-I899 PolarHBondContact O-N 2.86Å; I892-I899 VanDerWaalsContact O-O 3.1Å; I892-S901 WeakPolarHBondContact CD1-OG 3.44Å; I892-S901 WeakPolarHBondContact CG1-OG 3.48Å |
| 893 | C | 64.9 | Low | 60.1 | Low | 40 Ų | 40 | 88.2 Ų | 88.2 | 27% | 0.27 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 102.3 | 169.3 | -165.6 | 0 | 0 | 0 | 0 | 110.9 | C884 | C884-C893 VanDerWaalsContact CA-SG 3.55Å; C884-C893 HydrophobicContact CB-CB 3.45Å; C884-C893 VanDerWaalsContact CB-CB 3.45Å; C884-C893 WeakPolarHBondContact CB-SG 3.49Å; C884-C893 WeakPolarHBondContact SG-CB 3.29Å; C884-C893 CovalentContact SG-SG 2.02Å; C884-C893 PolarHBondContact SG-SG 2.72Å |
| 894 | E | 60.3 | Low | 59.7 | Low | 116 Ų | 116 | 90.6 Ų | 90.6 | 54% | 0.542 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 123.8 | 173.8 | -172 | -179.8 | -125.5 | 0 | 0 | 109.4 | G896 I897 I899 | E894-G896 PolarHBondContact O-N 3.37Å; E894-G896 VanDerWaalsContact O-N 3.07Å; E894-I897 PolarHBondContact N-O 3.46Å; E894-I897 PolarHBondContact O-N 2.86Å; E894-I897 VanDerWaalsContact O-O 3.12Å; E894-I899 HydrophobicContact CB-CD1 3.53Å; E894-I899 HydrophobicContact CB-CG1 3.96Å; E894-I899 HydrophobicContact CG-CD1 4.33Å; E894-I899 WeakPolarHBondContact OE2-CD1 3.46Å |
| 895 | N | 60.8 | Low | 59.5 | Low | 157 Ų | 157 | 93.1 Ų | 93.1 | 84% | 0.84 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 31.9 | -179.4 | -68.7 | -55.9 | 0 | 0 | 0 | 115 | I897 | N895-I897 VanDerWaalsContact C-N 3.32Š|
| 896 | G | 59.3 | Low | 59.7 | Low | 26 Ų | 26 | 91.4 Ų | 91.4 | 27% | 0.268 | 50% | 0.496 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.3 | 11.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | E894 | E894-G896 PolarHBondContact O-N 3.37Å; E894-G896 VanDerWaalsContact O-N 3.07Å |
| 897 | I | 68.1 | Low | 59.7 | Low | 117 Ų | 117 | 90.7 Ų | 90.7 | 60% | 0.6 | 50% | 0.496 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 130.2 | 175.4 | -56.2 | 177.2 | 0 | 0 | 0 | 108.3 | E894 N895 I899 | E894-I897 PolarHBondContact N-O 3.46Å; E894-I897 PolarHBondContact O-N 2.86Å; E894-I897 VanDerWaalsContact O-O 3.12Å; N895-I897 VanDerWaalsContact C-N 3.32Å; I897-I899 PolarHBondContact O-N 3.07Å |
| 898 | C | 59.1 | Low | 59.7 | Low | 42 Ų | 42 | 92.8 Ų | 92.8 | 28% | 0.284 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 120.7 | 177.2 | -45.7 | 0 | 0 | 0 | 0 | 110 | C887 E891 I892 | C887-C898 WeakPolarHBondContact CA-SG 3.3Å; C887-C898 HydrophobicContact CB-CB 3.69Å; C887-C898 WeakPolarHBondContact CB-SG 3.48Å; C887-C898 WeakPolarHBondContact SG-CB 3.46Å; C887-C898 CovalentContact SG-SG 2.04Å; C887-C898 PolarHBondContact SG-SG 3.04Å; E891-C898 HydrophobicContact CB-CB 4.03Å; E891-C898 VanDerWaalsContact OE2-CB 3.26Å; E891-C898 WeakPolarHBondContact OE2-CB 3.38Å; I892-C898 WeakPolarHBondContact O-CA 3.47Å |
| 899 | I | 63.9 | Low | 60.3 | Low | 75 Ų | 75 | 86.1 Ų | 86.1 | 39% | 0.385 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 140.9 | 176.1 | 48.7 | 168.3 | 0 | 0 | 0 | 109.7 | E891 I892 E894 I897 S901 | E891-I899 CarbonylContact C-O 3.58Å; E891-I899 VanDerWaalsContact CA-O 3.24Å; E891-I899 WeakPolarHBondContact CA-O 3.24Å; I892-I899 PolarHBondContact N-O 2.77Å; I892-I899 WeakPolarHBondContact O-CG1 3.43Å; I892-I899 PolarHBondContact O-N 2.86Å; I892-I899 VanDerWaalsContact O-O 3.1Å; E894-I899 HydrophobicContact CB-CD1 3.53Å; E894-I899 HydrophobicContact CB-CG1 3.96Å; E894-I899 HydrophobicContact CG-CD1 4.33Å; E894-I899 WeakPolarHBondContact OE2-CD1 3.46Å; I897-I899 PolarHBondContact O-N 3.07Å; I899-S901 PolarHBondContact O-N 3.11Å |
| 900 | A | 56.7 | Low | 61 | Low | 88 Ų | 88 | 86.8 Ų | 86.8 | 73% | 0.727 | 52% | 0.515 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 125.9 | -177 | 0 | 0 | 0 | 0 | 0 | 111.3 | G902 | A900-G902 VanDerWaalsContact C-N 3.32Å; A900-G902 PolarHBondContact O-N 2.75Å |
| 901 | S | 54.2 | Low | 62.4 | Low | 18 Ų | 18 | 83.4 Ų | 83.4 | 13% | 0.126 | 50% | 0.499 | C | S | . | . | trans | -57.2 | -41.2 | -170.4 | -177.8 | 0 | 0 | 0 | 0 | 113.7 | N890 I892 I899 V903 | N890-S901 WeakPolarHBondContact O-CB 3.21Å; N890-S901 PolarHBondContact O-N 3.38Å; I892-S901 WeakPolarHBondContact CD1-OG 3.44Å; I892-S901 WeakPolarHBondContact CG1-OG 3.48Å; I899-S901 PolarHBondContact O-N 3.11Å; S901-V903 WeakPolarHBondContact CB-O 3.17Å; S901-V903 PolarHBondContact O-N 2.7Å; S901-V903 PolarHBondContact OG-N 3.03Å; S901-V903 PolarHBondContact OG-O 2.71Å | ||
| 902 | G | 57.1 | Low | 63.1 | Low | 85 Ų | 85 | 80.6 Ų | 80.6 | 88% | 0.876 | 49% | 0.49 | S | S | * | . | S | Bend | trans | 70.5 | -17.1 | -167.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | A900 | A900-G902 VanDerWaalsContact C-N 3.32Å; A900-G902 PolarHBondContact O-N 2.75Å |
| 903 | V | 55.9 | Low | 63.9 | Low | 95 Ų | 95 | 83 Ų | 83 | 58% | 0.576 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -124.3 | 145.3 | -179.2 | -167 | 0 | 0 | 0 | 0 | 110.2 | S901 | S901-V903 WeakPolarHBondContact CB-O 3.17Å; S901-V903 PolarHBondContact O-N 2.7Å; S901-V903 PolarHBondContact OG-N 3.03Å; S901-V903 PolarHBondContact OG-O 2.71Å |
| 904 | D | 56.1 | Low | 64.7 | Low | 107 Ų | 107 | 84.9 Ų | 84.9 | 57% | 0.572 | 50% | 0.504 | S | S | * | . | trans | -78.7 | 118.1 | 177.1 | -170.8 | -18.1 | 0 | 0 | 0 | 110.5 | C906 E907 | D904-C906 PolarHBondContact O-N 2.58Å; D904-C906 PolarHBondContact OD1-N 3.45Å; D904-E907 PolarHBondContact O-N 3.08Å | ||
| 905 | L | 62.6 | Low | 65.8 | Low | 85 Ų | 85 | 80.2 Ų | 80.2 | 45% | 0.445 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -8.8 | -178 | -70.3 | 95.9 | 0 | 0 | 0 | 113.7 | G920 | L905-G920 WeakPolarHBondContact O-CA 3.01Š|
| 906 | C | 64.5 | Low | 66.7 | Low | 34 Ų | 34 | 76.6 Ų | 76.6 | 23% | 0.23 | 46% | 0.463 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 2.3 | 176.2 | -74.5 | 0 | 0 | 0 | 0 | 113.6 | D904 G908 V909 C917 | D904-C906 PolarHBondContact O-N 2.58Å; D904-C906 PolarHBondContact OD1-N 3.45Å; C906-G908 PolarHBondContact O-N 3.27Å; C906-V909 PolarHBondContact O-N 2.7Å; C906-C917 VanDerWaalsContact CA-SG 3.56Å; C906-C917 HydrophobicContact CB-CB 3.84Å; C906-C917 WeakPolarHBondContact CB-SG 3.31Å; C906-C917 WeakPolarHBondContact SG-CB 3.47Å; C906-C917 CovalentContact SG-SG 2.04Å; C906-C917 PolarHBondContact SG-SG 3.01Å |
| 907 | E | 63.8 | Low | 67.7 | Low | 166 Ų | 166 | 76.9 Ų | 76.9 | 78% | 0.776 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | 107.5 | 179.1 | -160.7 | 172.4 | -147.7 | 0 | 0 | 111 | D904 | D904-E907 PolarHBondContact O-N 3.08Š|
| 908 | G | 64.9 | Low | 67.9 | Low | 78 Ų | 78 | 74.2 Ų | 74.2 | 80% | 0.804 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 99 | -4.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116 | C906 | C906-G908 PolarHBondContact O-N 3.27Š|
| 909 | V | 71.5 | Confident | 67.9 | Low | 56 Ų | 56 | 76.3 Ų | 76.3 | 34% | 0.339 | 45% | 0.454 | S | S | . | . | trans | -83.3 | 117 | 179.2 | -177.1 | 0 | 0 | 0 | 0 | 110.7 | C906 C917 | C906-V909 PolarHBondContact O-N 2.7Å; V909-C917 HydrophobicContact CB-CB 4.36Å; V909-C917 HydrophobicContact CG1-CB 4.18Å | ||
| 910 | Q | 66 | Low | 68.2 | Low | 183 Ų | 183 | 74.2 Ų | 74.2 | 86% | 0.855 | 45% | 0.45 | S | S | * | . | trans | -100.2 | 128.9 | 170.3 | -69.2 | -172.9 | -35.1 | 0 | 0 | 110.3 | ||||
| 911 | C | 80.8 | Confident | 69 | Low | 40 Ų | 40 | 72.7 Ų | 72.7 | 27% | 0.27 | 44% | 0.437 | S | S | . | . | trans | -110.3 | 158.8 | 178.8 | -58.6 | 0 | 0 | 0 | 0 | 111.6 | A915 C917 C922 | C911-A915 HydrophobicContact CB-CB 4.12Å; C911-C917 PolarHBondContact SG-N 2.8Å; C911-C917 VanDerWaalsContact SG-N 3.45Å; C911-C922 WeakPolarHBondContact CA-SG 3.35Å; C911-C922 HydrophobicContact CB-CB 3.71Å; C911-C922 WeakPolarHBondContact CB-SG 3.34Å; C911-C922 WeakPolarHBondContact SG-CA 3.4Å; C911-C922 WeakPolarHBondContact SG-CB 2.98Å; C911-C922 CovalentContact SG-SG 2.04Å; C911-C922 PolarHBondContact SG-SG 2.73Å | ||
| 912 | G | 75 | Confident | 70.4 | Confident | 13 Ų | 13 | 72.8 Ų | 72.8 | 13% | 0.134 | 44% | 0.438 | C | S | . | . | trans | -69.6 | 173.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q914 A915 P932 V934 | G912-Q914 PolarHBondContact O-N 3.32Å; G912-A915 PolarHBondContact O-N 3.21Å; G912-P932 PolarHBondContact N-O 2.81Å; G912-V934 WeakPolarHBondContact CA-O 3.41Å | ||
| 913 | E | 76.5 | Confident | 71.3 | Confident | 121 Ų | 121 | 71.3 Ų | 71.3 | 57% | 0.565 | 41% | 0.412 | S | S | * | . | B | Isolated β-bridge | trans | -57.7 | 139.6 | 175.8 | -74.8 | -169.9 | 143 | 0 | 0 | 111.6 | A915 K935 C936 | E913-A915 PolarHBondContact O-N 3.28Å; E913-K935 HydrophobicContact CB-CD 4.37Å; E913-K935 HydrophobicContact CB-CG 4.2Å; E913-K935 VanDerWaalsContact OE2-CE 3.3Å; E913-K935 WeakPolarHBondContact OE2-CE 3.42Å; E913-K935 IonicContact OE2-NZ 3.5Å; E913-K935 PolarHBondContact OE2-NZ 3.06Å; E913-C936 PolarHBondContact O-N 3.18Å |
| 914 | Q | 82.4 | Confident | 72.5 | Confident | 81 Ų | 81 | 68.2 Ų | 68.2 | 38% | 0.379 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | 17.7 | -179.4 | -62.3 | 163.6 | -7.3 | 0 | 0 | 114 | G912 T925 Y928 C936 | G912-Q914 PolarHBondContact O-N 3.32Å; Q914-T925 WeakPolarHBondContact O-CB 3.09Å; Q914-T925 PolarHBondContact O-N 3.08Å; Q914-T925 PolarHBondContact O-OG1 3.08Å; Q914-Y928 HydrophobicContact CB-CD1 3.85Å; Q914-Y928 HydrophobicContact CB-CE1 4.18Å; Q914-Y928 HydrophobicContact CB-CG 4.13Å; Q914-Y928 HydrophobicContact CG-CD1 4.01Å; Q914-Y928 HydrophobicContact CG-CE1 3.82Å; Q914-C936 HydrophobicContact CB-CB 4.03Å; Q914-C936 PolarHBondContact OE1-O 2.87Å |
| 915 | A | 81.7 | Confident | 73.6 | Confident | 18 Ų | 18 | 65.6 Ų | 65.6 | 15% | 0.149 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 161.6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | C911 G912 E913 V923 P932 | C911-A915 HydrophobicContact CB-CB 4.12Å; G912-A915 PolarHBondContact O-N 3.21Å; E913-A915 PolarHBondContact O-N 3.28Å; A915-V923 CarbonylContact C-O 3.44Å; A915-V923 WeakPolarHBondContact CA-O 3.37Å; A915-V923 WeakPolarHBondContact CB-O 2.97Å; A915-P932 HydrophobicContact CB-CB 3.57Å; A915-P932 WeakPolarHBondContact CB-O 3.49Å |
| 916 | F | 81.2 | Confident | 73.7 | Confident | 81 Ų | 81 | 67 Ų | 67 | 36% | 0.355 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 153.3 | 175.6 | 69 | -78.5 | 0 | 0 | 0 | 111.2 | Q918 C922 V923 | F916-Q918 HydrophobicContact CD2-CB 4.32Å; F916-Q918 HydrophobicContact CE2-CB 3.84Å; F916-Q918 HydrophobicContact CE2-CG 4.1Å; F916-C922 WeakPolarHBondContact O-CA 3.45Å; F916-V923 HydrophobicContact CD1-CG2 4.15Å; F916-V923 HydrophobicContact CD2-CG2 4.39Å; F916-V923 HydrophobicContact CE1-CG2 3.72Å; F916-V923 HydrophobicContact CE2-CG2 4Å; F916-V923 HydrophobicContact CG-CG2 4.46Å; F916-V923 HydrophobicContact CZ-CG2 3.64Å; F916-V923 PolarHBondContact N-O 2.5Å; F916-V923 PolarHBondContact O-N 2.96Å |
| 917 | C | 79.9 | Confident | 73.3 | Confident | 32 Ų | 32 | 66.7 Ų | 66.7 | 22% | 0.216 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 127.3 | 173.3 | -178.4 | 0 | 0 | 0 | 0 | 109.9 | C906 V909 C911 A921 | C906-C917 VanDerWaalsContact CA-SG 3.56Å; C906-C917 HydrophobicContact CB-CB 3.84Å; C906-C917 WeakPolarHBondContact CB-SG 3.31Å; C906-C917 WeakPolarHBondContact SG-CB 3.47Å; C906-C917 CovalentContact SG-SG 2.04Å; C906-C917 PolarHBondContact SG-SG 3.01Å; V909-C917 HydrophobicContact CB-CB 4.36Å; V909-C917 HydrophobicContact CG1-CB 4.18Å; C911-C917 PolarHBondContact SG-N 2.8Å; C911-C917 VanDerWaalsContact SG-N 3.45Å; C917-A921 WeakPolarHBondContact CA-O 3.25Å |
| 918 | Q | 71.6 | Confident | 73.7 | Confident | 61 Ų | 61 | 62.2 Ų | 62.2 | 29% | 0.285 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 125.1 | 170.7 | -157.8 | -164.7 | -81 | 0 | 0 | 109.3 | F916 G920 A921 V923 | F916-Q918 HydrophobicContact CD2-CB 4.32Å; F916-Q918 HydrophobicContact CE2-CB 3.84Å; F916-Q918 HydrophobicContact CE2-CG 4.1Å; Q918-G920 PolarHBondContact O-N 3.3Å; Q918-G920 VanDerWaalsContact O-N 3.11Å; Q918-A921 PolarHBondContact N-O 1.97Å; Q918-A921 PolarHBondContact O-N 2.78Å; Q918-A921 VanDerWaalsContact O-O 3.09Å; Q918-V923 HydrophobicContact CB-CG2 3.75Å |
| 919 | D | 60.4 | Low | 73.7 | Confident | 86 Ų | 86 | 62 Ų | 62 | 46% | 0.46 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 32.8 | 176.4 | -52 | -58.3 | 0 | 0 | 0 | 113.2 | ||
| 920 | G | 69.3 | Low | 73.6 | Confident | 31 Ų | 31 | 61.5 Ų | 61.5 | 32% | 0.32 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.8 | 0.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 116 | L905 Q918 | L905-G920 WeakPolarHBondContact O-CA 3.01Å; Q918-G920 PolarHBondContact O-N 3.3Å; Q918-G920 VanDerWaalsContact O-N 3.11Å |
| 921 | A | 72.8 | Confident | 73.8 | Confident | 55 Ų | 55 | 56.8 Ų | 56.8 | 46% | 0.455 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 145.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | C917 Q918 | C917-A921 WeakPolarHBondContact CA-O 3.25Å; Q918-A921 PolarHBondContact N-O 1.97Å; Q918-A921 PolarHBondContact O-N 2.78Å; Q918-A921 VanDerWaalsContact O-O 3.09Å |
| 922 | C | 84.5 | Confident | 73.6 | Confident | 21 Ų | 21 | 56.2 Ų | 56.2 | 14% | 0.142 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 132.5 | 174.5 | -61.4 | 0 | 0 | 0 | 0 | 111.3 | C911 F916 P932 V933 | C911-C922 WeakPolarHBondContact CA-SG 3.35Å; C911-C922 HydrophobicContact CB-CB 3.71Å; C911-C922 WeakPolarHBondContact CB-SG 3.34Å; C911-C922 WeakPolarHBondContact SG-CA 3.4Å; C911-C922 WeakPolarHBondContact SG-CB 2.98Å; C911-C922 CovalentContact SG-SG 2.04Å; C911-C922 PolarHBondContact SG-SG 2.73Å; F916-C922 WeakPolarHBondContact O-CA 3.45Å; C922-P932 HydrophobicContact CB-CB 3.94Å; C922-P932 HydrophobicContact CB-CG 4.35Å; C922-P932 WeakPolarHBondContact CB-O 3.4Å; C922-P932 WeakPolarHBondContact O-CB 3.44Å; C922-P932 WeakPolarHBondContact O-CG 3.42Å; C922-V933 HydrophobicContact CB-CG2 4.47Å |
| 923 | V | 77 | Confident | 73.7 | Confident | 54 Ų | 54 | 60.4 Ų | 60.4 | 33% | 0.327 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 145.3 | 174.8 | -70.1 | 0 | 0 | 0 | 0 | 110.7 | A915 F916 Q918 | A915-V923 CarbonylContact C-O 3.44Å; A915-V923 WeakPolarHBondContact CA-O 3.37Å; A915-V923 WeakPolarHBondContact CB-O 2.97Å; F916-V923 HydrophobicContact CD1-CG2 4.15Å; F916-V923 HydrophobicContact CD2-CG2 4.39Å; F916-V923 HydrophobicContact CE1-CG2 3.72Å; F916-V923 HydrophobicContact CE2-CG2 4Å; F916-V923 HydrophobicContact CG-CG2 4.46Å; F916-V923 HydrophobicContact CZ-CG2 3.64Å; F916-V923 PolarHBondContact N-O 2.5Å; F916-V923 PolarHBondContact O-N 2.96Å; Q918-V923 HydrophobicContact CB-CG2 3.75Å |
| 924 | C | 79.8 | Confident | 73.6 | Confident | 30 Ų | 30 | 59.6 Ų | 59.6 | 20% | 0.203 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 143.5 | 176.4 | -65.4 | 0 | 0 | 0 | 0 | 110.9 | Y928 C936 | C924-Y928 VanDerWaalsContact CB-O 3.28Å; C924-Y928 WeakPolarHBondContact CB-O 3.21Å; C924-C936 WeakPolarHBondContact CA-SG 3.46Å; C924-C936 HydrophobicContact CB-CB 3.76Å; C924-C936 WeakPolarHBondContact CB-SG 3.33Å; C924-C936 WeakPolarHBondContact SG-CB 3.27Å; C924-C936 CovalentContact SG-SG 2.04Å; C924-C936 PolarHBondContact SG-SG 2.79Å |
| 925 | T | 79.6 | Confident | 72.7 | Confident | 52 Ų | 52 | 59.1 Ų | 59.1 | 32% | 0.319 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -60 | 138.2 | 171 | -54.9 | 0 | 0 | 0 | 0 | 109.3 | Q914 G927 Y928 | Q914-T925 WeakPolarHBondContact O-CB 3.09Å; Q914-T925 PolarHBondContact O-N 3.08Å; Q914-T925 PolarHBondContact O-OG1 3.08Å; T925-G927 PolarHBondContact O-N 3.08Å; T925-Y928 HydrophobicContact CG2-CD2 4.33Å; T925-Y928 WeakPolarHBondContact O-CB 3.12Å; T925-Y928 PolarHBondContact O-N 3.27Å |
| 926 | P | 64.4 | Low | 72.5 | Confident | 113 Ų | 113 | 58.2 Ų | 58.2 | 73% | 0.734 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | 133.9 | 176.8 | -28.6 | 36.1 | 0 | 0 | 0 | 112.5 | ||
| 927 | G | 57.2 | Low | 71.8 | Confident | 29 Ų | 29 | 61 Ų | 61 | 30% | 0.299 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94 | -7 | -169.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | T925 E939 | T925-G927 PolarHBondContact O-N 3.08Å; G927-E939 PolarHBondContact O-N 2.73Å |
| 928 | Y | 71.7 | Confident | 70.6 | Confident | 71 Ų | 71 | 65.1 Ų | 65.1 | 28% | 0.278 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 146.6 | 178.2 | -60.5 | -100 | 0 | 0 | 0 | 112.4 | Q914 C924 T925 Y937 E938 | Q914-Y928 HydrophobicContact CB-CD1 3.85Å; Q914-Y928 HydrophobicContact CB-CE1 4.18Å; Q914-Y928 HydrophobicContact CB-CG 4.13Å; Q914-Y928 HydrophobicContact CG-CD1 4.01Å; Q914-Y928 HydrophobicContact CG-CE1 3.82Å; C924-Y928 VanDerWaalsContact CB-O 3.28Å; C924-Y928 WeakPolarHBondContact CB-O 3.21Å; T925-Y928 HydrophobicContact CG2-CD2 4.33Å; T925-Y928 WeakPolarHBondContact O-CB 3.12Å; T925-Y928 PolarHBondContact O-N 3.27Å; Y928-Y937 CarbonylContact C-O 3.39Å; Y928-Y937 WeakPolarHBondContact CA-O 3.42Å; Y928-E938 HydrophobicContact CD1-CB 4.08Å; Y928-E938 HydrophobicContact CE1-CB 3.88Å; Y928-E938 HydrophobicContact CE1-CG 4.41Å |
| 929 | T | 64.4 | Low | 69.6 | Low | 75 Ų | 75 | 68.2 Ų | 68.2 | 46% | 0.46 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 144.5 | 179.9 | -168.3 | 0 | 0 | 0 | 0 | 110.2 | Y937 E939 | T929-Y937 PolarHBondContact N-O 3.38Å; T929-Y937 PolarHBondContact O-N 3.22Å; T929-E939 HydrophobicContact CG2-CG 3.69Å |
| 930 | G | 69.9 | Low | 69 | Low | 44 Ų | 44 | 73.2 Ų | 73.2 | 45% | 0.454 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 149.7 | -161 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | P932 | G930-P932 WeakPolarHBondContact O-CD 3.49Å |
| 931 | D | 70 | Confident | 67.8 | Low | 85 Ų | 85 | 78.5 Ų | 78.5 | 46% | 0.455 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 109.9 | 175.8 | -175.4 | -30.9 | 0 | 0 | 0 | 109.1 | V933 V934 K935 | D931-V933 PolarHBondContact O-N 3.17Å; D931-V933 WeakPolarHBondContact OD1-CB 3.46Å; D931-V933 PolarHBondContact OD1-N 2.77Å; D931-V934 HydrophobicContact CB-CB 4.26Å; D931-V934 HydrophobicContact CB-CG2 4.42Å; D931-V934 CarbonylContact O-C 3.48Å; D931-V934 PolarHBondContact O-N 2.83Å; D931-K935 PolarHBondContact N-O 2.6Å; D931-K935 CarbonylContact O-C 3.57Å; D931-K935 WeakPolarHBondContact O-CA 3.44Å; D931-K935 PolarHBondContact O-N 2.87Å; D931-K935 VanDerWaalsContact O-O 3.07Å |
| 932 | P | 77.2 | Confident | 66.3 | Low | 28 Ų | 28 | 82.3 Ų | 82.3 | 18% | 0.182 | 44% | 0.437 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -8.1 | -173.9 | 31.3 | -37 | 0 | 0 | 0 | 114.8 | G912 A915 C922 G930 | G912-P932 PolarHBondContact N-O 2.81Å; A915-P932 HydrophobicContact CB-CB 3.57Å; A915-P932 WeakPolarHBondContact CB-O 3.49Å; C922-P932 HydrophobicContact CB-CB 3.94Å; C922-P932 HydrophobicContact CB-CG 4.35Å; C922-P932 WeakPolarHBondContact CB-O 3.4Å; C922-P932 WeakPolarHBondContact O-CB 3.44Å; C922-P932 WeakPolarHBondContact O-CG 3.42Å; G930-P932 WeakPolarHBondContact O-CD 3.49Å |
| 933 | V | 75.9 | Confident | 64.8 | Low | 100 Ų | 100 | 84 Ų | 84 | 61% | 0.606 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -26.7 | 171.4 | -169.4 | 0 | 0 | 0 | 0 | 110.7 | C922 D931 | C922-V933 HydrophobicContact CB-CG2 4.47Å; D931-V933 PolarHBondContact O-N 3.17Å; D931-V933 WeakPolarHBondContact OD1-CB 3.46Å; D931-V933 PolarHBondContact OD1-N 2.77Å |
| 934 | V | 73.8 | Confident | 63.2 | Low | 105 Ų | 105 | 83.6 Ų | 83.6 | 64% | 0.636 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.7 | -65.1 | -176.6 | -174.9 | 0 | 0 | 0 | 0 | 111.5 | G912 D931 | G912-V934 WeakPolarHBondContact CA-O 3.41Å; D931-V934 HydrophobicContact CB-CB 4.26Å; D931-V934 HydrophobicContact CB-CG2 4.42Å; D931-V934 CarbonylContact O-C 3.48Å; D931-V934 PolarHBondContact O-N 2.83Å |
| 935 | K | 65.2 | Low | 61.7 | Low | 70 Ų | 70 | 84.3 Ų | 84.3 | 30% | 0.304 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.8 | 136.5 | -179.2 | -179.5 | 157.3 | -178.2 | 155.1 | 0 | 111.7 | E913 D931 Y937 | E913-K935 HydrophobicContact CB-CD 4.37Å; E913-K935 HydrophobicContact CB-CG 4.2Å; E913-K935 VanDerWaalsContact OE2-CE 3.3Å; E913-K935 WeakPolarHBondContact OE2-CE 3.42Å; E913-K935 IonicContact OE2-NZ 3.5Å; E913-K935 PolarHBondContact OE2-NZ 3.06Å; D931-K935 PolarHBondContact N-O 2.6Å; D931-K935 CarbonylContact O-C 3.57Å; D931-K935 WeakPolarHBondContact O-CA 3.44Å; D931-K935 PolarHBondContact O-N 2.87Å; D931-K935 VanDerWaalsContact O-O 3.07Å; K935-Y937 HydrophobicContact CB-CE2 4.49Å; K935-Y937 HydrophobicContact CD-CE1 4.02Å; K935-Y937 HydrophobicContact CG-CE1 4.02Å; K935-Y937 HydrophobicContact CG-CE2 4.26Å |
| 936 | C | 76.8 | Confident | 60.5 | Low | 0 Ų | 0 | 83.6 Ų | 83.6 | 0% | 0 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 166.8 | 166.8 | -54.2 | 0 | 0 | 0 | 0 | 111.9 | E913 Q914 C924 | E913-C936 PolarHBondContact O-N 3.18Å; Q914-C936 HydrophobicContact CB-CB 4.03Å; Q914-C936 PolarHBondContact OE1-O 2.87Å; C924-C936 WeakPolarHBondContact CA-SG 3.46Å; C924-C936 HydrophobicContact CB-CB 3.76Å; C924-C936 WeakPolarHBondContact CB-SG 3.33Å; C924-C936 WeakPolarHBondContact SG-CB 3.27Å; C924-C936 CovalentContact SG-SG 2.04Å; C924-C936 PolarHBondContact SG-SG 2.79Å |
| 937 | Y | 66.7 | Low | 60 | Low | 138 Ų | 138 | 80.1 Ų | 80.1 | 54% | 0.541 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 147.9 | -174.2 | -55.4 | -86.3 | 0 | 0 | 0 | 111.4 | Y928 T929 K935 | Y928-Y937 CarbonylContact C-O 3.39Å; Y928-Y937 WeakPolarHBondContact CA-O 3.42Å; T929-Y937 PolarHBondContact N-O 3.38Å; T929-Y937 PolarHBondContact O-N 3.22Å; K935-Y937 HydrophobicContact CB-CE2 4.49Å; K935-Y937 HydrophobicContact CD-CE1 4.02Å; K935-Y937 HydrophobicContact CG-CE1 4.02Å; K935-Y937 HydrophobicContact CG-CE2 4.26Å |
| 938 | E | 55 | Low | 60.5 | Low | 120 Ų | 120 | 80 Ų | 80 | 56% | 0.561 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 139.2 | -172.6 | -166.7 | 174.9 | -153.4 | 0 | 0 | 114.3 | Y928 | Y928-E938 HydrophobicContact CD1-CB 4.08Å; Y928-E938 HydrophobicContact CE1-CB 3.88Å; Y928-E938 HydrophobicContact CE1-CG 4.41Å |
| 939 | E | 50.3 | Low | 60.5 | Low | 125 Ų | 125 | 78.6 Ų | 78.6 | 58% | 0.584 | 42% | 0.423 | S | S | * | . | trans | -80.5 | 142.9 | 178.7 | -65.8 | -171.4 | 145 | 0 | 0 | 113.2 | G927 T929 | G927-E939 PolarHBondContact O-N 2.73Å; T929-E939 HydrophobicContact CG2-CG 3.69Å | ||
| 940 | R | 48.1 | Very low | 60.2 | Low | 192 Ų | 192 | 84.5 Ų | 84.5 | 73% | 0.725 | 44% | 0.437 | S | S | * | . | trans | -107.6 | 152.1 | -171.1 | -73.7 | -176.4 | 173.6 | -176.5 | -1.5 | 115 | ||||
| 941 | E | 42.9 | Very low | 60 | Low | 141 Ų | 141 | 85.6 Ų | 85.6 | 66% | 0.659 | 43% | 0.429 | S | S | * | . | trans | -106.5 | 147.7 | -164.9 | -166.3 | 167.3 | -130 | 0 | 0 | 115.1 | C943 A944 | E941-C943 PolarHBondContact O-N 3.49Å; E941-A944 HydrophobicContact CB-CB 4.34Å; E941-A944 PolarHBondContact O-N 3.37Å | ||
| 942 | L | 42.3 | Very low | 60.1 | Low | 135 Ų | 135 | 82.3 Ų | 82.3 | 71% | 0.707 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -14.7 | -163.7 | -81.3 | 117.1 | 0 | 0 | 0 | 117.7 | N957 | L942-N957 PolarHBondContact O-OD1 3.49Å; L942-N957 VanDerWaalsContact O-OD1 3.14Å |
| 943 | C | 51.6 | Low | 59.6 | Low | 56 Ų | 56 | 87.5 Ų | 87.5 | 38% | 0.378 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | -1.9 | 174 | -68.7 | 0 | 0 | 0 | 0 | 112.9 | E941 G945 V946 C954 N957 | E941-C943 PolarHBondContact O-N 3.49Å; C943-G945 PolarHBondContact O-N 2.01Å; C943-V946 PolarHBondContact O-N 3.36Å; C943-C954 VanDerWaalsContact SG-SG 3.7Å; C943-N957 PolarHBondContact SG-N 3.29Å; C943-N957 VanDerWaalsContact SG-N 3.43Å |
| 944 | A | 43.5 | Very low | 59.4 | Low | 46 Ų | 46 | 85 Ų | 85 | 38% | 0.38 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | 88.7 | -171.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | E941 R1060 | E941-A944 HydrophobicContact CB-CB 4.34Å; E941-A944 PolarHBondContact O-N 3.37Å; A944-R1060 PolarHBondContact O-NH1 2.87Å |
| 945 | G | 48.5 | Very low | 58.5 | Low | 45 Ų | 45 | 87.8 Ų | 87.8 | 46% | 0.464 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 136.4 | -5.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | C943 Q947 | C943-G945 PolarHBondContact O-N 2.01Å; G945-Q947 PolarHBondContact O-N 2.86Å |
| 946 | V | 54.4 | Low | 58 | Low | 37 Ų | 37 | 89 Ų | 89 | 22% | 0.224 | 43% | 0.431 | C | S | . | . | trans | -82.9 | 108.1 | 179.1 | 179.2 | 0 | 0 | 0 | 0 | 109.8 | C943 C954 N957 C959 | C943-V946 PolarHBondContact O-N 3.36Å; V946-C954 HydrophobicContact CG1-CB 4.17Å; V946-C954 VanDerWaalsContact CG1-SG 3.57Å; V946-N957 HydrophobicContact CG2-CB 4.31Å; V946-N957 WeakPolarHBondContact CG2-OD1 3.43Å; V946-C959 VanDerWaalsContact CG1-SG 3.58Å | ||
| 947 | Q | 55.5 | Low | 57 | Low | 40 Ų | 40 | 93.8 Ų | 93.8 | 19% | 0.187 | 46% | 0.456 | C | S | . | . | trans | -92.3 | 130.9 | 176.4 | -69.7 | -84.3 | -13.8 | 0 | 0 | 109.7 | G945 C959 D1071 Y1073 | G945-Q947 PolarHBondContact O-N 2.86Å; Q947-C959 PolarHBondContact O-SG 3.12Å; Q947-D1071 PolarHBondContact NE2-O 2.84Å; Q947-D1071 PolarHBondContact NE2-OD1 2.95Å; Q947-D1071 PolarHBondContact OE1-O 3.28Å; Q947-Y1073 HydrophobicContact CB-CD2 4.24Å; Q947-Y1073 HydrophobicContact CB-CE1 4.16Å; Q947-Y1073 HydrophobicContact CB-CE2 3.35Å; Q947-Y1073 WeakPolarHBondContact CB-OH 3.07Å; Q947-Y1073 HydrophobicContact CG-CD2 4.2Å; Q947-Y1073 HydrophobicContact CG-CE2 3.75Å; Q947-Y1073 PolarHBondContact O-OH 3.48Å | ||
| 948 | C | 66.3 | Low | 56.7 | Low | 28 Ų | 28 | 90.1 Ų | 90.1 | 19% | 0.189 | 44% | 0.442 | C | S | . | . | trans | -114.1 | 154.5 | 177.8 | -55.9 | 0 | 0 | 0 | 0 | 110.3 | C959 G969 | C948-C959 WeakPolarHBondContact CA-SG 3.49Å; C948-C959 HydrophobicContact CB-CB 3.62Å; C948-C959 WeakPolarHBondContact CB-SG 3.44Å; C948-C959 WeakPolarHBondContact SG-CB 3.34Å; C948-C959 CovalentContact SG-SG 2.03Å; C948-C959 PolarHBondContact SG-SG 2.94Å; C948-G969 CarbonylContact C-O 3.54Å; C948-G969 WeakPolarHBondContact CA-O 3.19Å; C948-G969 WeakPolarHBondContact CB-O 3.44Å | ||
| 949 | H | 71.9 | Confident | 57.7 | Low | 40 Ų | 40 | 84.8 Ų | 84.8 | 19% | 0.185 | 42% | 0.417 | C | S | . | . | trans | -54.6 | 154.8 | 170 | 179.6 | -105.6 | 0 | 0 | 0 | 110.7 | F951 G952 G969 V970 N971 C973 | H949-F951 AromaticContact CE1-CD2 3.81Å; H949-F951 PolarHBondContact ND1-N 2.88Å; H949-F951 PolarHBondContact O-N 2.62Å; H949-G952 WeakPolarHBondContact O-CA 3.45Å; H949-G952 PolarHBondContact O-N 2.87Å; H949-G969 PolarHBondContact N-O 3Å; H949-V970 WeakPolarHBondContact CB-O 3.17Å; H949-V970 PolarHBondContact N-O 3.23Å; H949-N971 PolarHBondContact CD2-O 3.02Å; H949-C973 PolarHBondContact CE1-N 2.9Å; H949-C973 PolarHBondContact CE1-O 2.87Å; H949-C973 WeakPolarHBondContact ND1-CB 3.27Å; H949-C973 PolarHBondContact ND1-N 3.34Å | ||
| 950 | R | 57.8 | Low | 58.7 | Low | 200 Ų | 200 | 81.9 Ų | 81.9 | 76% | 0.755 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -17.4 | -172.5 | 72.2 | 173 | -61.4 | 132.9 | 12.2 | 116.4 | ||
| 951 | F | 66.3 | Low | 59.7 | Low | 66 Ų | 66 | 74.4 Ų | 74.4 | 29% | 0.289 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.8 | 36.6 | 172.7 | -50.9 | -66.4 | 0 | 0 | 0 | 110.4 | H949 C961 S962 Y965 C973 | H949-F951 AromaticContact CE1-CD2 3.81Å; H949-F951 PolarHBondContact ND1-N 2.88Å; H949-F951 PolarHBondContact O-N 2.62Å; F951-C961 CarbonylContact O-C 3.57Å; F951-C961 WeakPolarHBondContact O-CA 3.26Å; F951-S962 VanDerWaalsContact O-CB 3.31Å; F951-S962 WeakPolarHBondContact O-CB 3.34Å; F951-S962 PolarHBondContact O-N 3Å; F951-S962 PolarHBondContact O-OG 2.9Å; F951-Y965 HydrophobicContact CB-CD1 4Å; F951-Y965 HydrophobicContact CB-CD2 3.78Å; F951-Y965 HydrophobicContact CB-CE1 4.35Å; F951-Y965 HydrophobicContact CB-CE2 4.14Å; F951-Y965 HydrophobicContact CB-CG 3.71Å; F951-Y965 HydrophobicContact CD1-CD2 4.27Å; F951-Y965 HydrophobicContact CD1-CE1 4.02Å; F951-Y965 AromaticContact CD1-CE2 3.75Å; F951-Y965 HydrophobicContact CD1-CE2 3.75Å; F951-Y965 AromaticContact CD1-CZ 3.61Å; F951-Y965 AromaticContact CD2-CD1 3.41Å; F951-Y965 HydrophobicContact CD2-CD1 3.41Å; F951-Y965 VanDerWaalsContact CD2-CD1 3.41Å; F951-Y965 HydrophobicContact CD2-CD2 4.46Å; F951-Y965 AromaticContact CD2-CE1 3.25Å; F951-Y965 HydrophobicContact CD2-CE1 3.25Å; F951-Y965 HydrophobicContact CD2-CE2 4.34Å; F951-Y965 HydrophobicContact CD2-CG 4.05Å; F951-Y965 AromaticContact CD2-CZ 3.77Å; F951-Y965 HydrophobicContact CE1-CE1 4.06Å; F951-Y965 HydrophobicContact CE1-CE2 4.18Å; F951-Y965 AromaticContact CE1-CZ 3.63Å; F951-Y965 WeakPolarHBondContact CE1-OH 3.01Å; F951-Y965 AromaticContact CE2-CD1 3.94Å; F951-Y965 HydrophobicContact CE2-CD1 3.94Å; F951-Y965 AromaticContact CE2-CE1 3.32Å; F951-Y965 HydrophobicContact CE2-CE1 3.32Å; F951-Y965 AromaticContact CE2-CZ 3.8Å; F951-Y965 AromaticContact CG-CD1 3.74Å; F951-Y965 HydrophobicContact CG-CD1 3.74Å; F951-Y965 AromaticContact CG-CD2 3.95Å; F951-Y965 HydrophobicContact CG-CD2 3.95Å; F951-Y965 AromaticContact CG-CE1 3.63Å; F951-Y965 HydrophobicContact CG-CE1 3.63Å; F951-Y965 AromaticContact CG-CE2 3.84Å; F951-Y965 HydrophobicContact CG-CE2 3.84Å; F951-Y965 AromaticContact CG-CG 3.92Å; F951-Y965 HydrophobicContact CG-CG 3.92Å; F951-Y965 AromaticContact CG-CZ 3.68Å; F951-Y965 AromaticContact CZ-CE1 3.73Å; F951-Y965 HydrophobicContact CZ-CE1 3.73Å; F951-Y965 AromaticContact CZ-CZ 3.72Å; F951-Y965 WeakPolarHBondContact CZ-OH 3.16Å; F951-C973 HydrophobicContact CB-CB 3.97Å; F951-C973 WeakPolarHBondContact CD2-O 3.36Å; F951-C973 PolarHBondContact O-SG 2.92Å |
| 952 | G | 71.2 | Confident | 61 | Low | 17 Ų | 17 | 69.1 Ų | 69.1 | 18% | 0.175 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 156.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | H949 Y960 | H949-G952 WeakPolarHBondContact O-CA 3.45Å; H949-G952 PolarHBondContact O-N 2.87Å; G952-Y960 CarbonylContact C-O 3.41Å; G952-Y960 WeakPolarHBondContact CA-O 3.48Å |
| 953 | Q | 68.6 | Low | 61.9 | Low | 136 Ų | 136 | 69.1 Ų | 69.1 | 64% | 0.636 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131 | 137.1 | -177.4 | -68.6 | -179.3 | -15.1 | 0 | 0 | 110.4 | C959 Y960 | Q953-C959 CarbonylContact O-C 3.42Å; Q953-C959 WeakPolarHBondContact O-CA 3.33Å; Q953-Y960 PolarHBondContact N-O 2.96Å; Q953-Y960 PolarHBondContact O-N 3.37Å |
| 954 | C | 70.3 | Confident | 62 | Low | 47 Ų | 47 | 66.8 Ų | 66.8 | 32% | 0.318 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 134.2 | 178 | 179.6 | 0 | 0 | 0 | 0 | 111.4 | C943 V946 R958 | C943-C954 VanDerWaalsContact SG-SG 3.7Å; V946-C954 HydrophobicContact CG1-CB 4.17Å; V946-C954 VanDerWaalsContact CG1-SG 3.57Å; C954-R958 CarbonylContact C-O 3.52Å; C954-R958 WeakPolarHBondContact CA-O 3.22Å |
| 955 | Y | 56.1 | Low | 63.1 | Low | 164 Ų | 164 | 67.8 Ų | 67.8 | 64% | 0.643 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 124.2 | 168.8 | -152.6 | -81.7 | 0 | 0 | 0 | 109.2 | N957 R958 | Y955-N957 PolarHBondContact O-N 2.04Å; Y955-R958 PolarHBondContact N-O 3.28Å; Y955-R958 PolarHBondContact O-N 3.24Å |
| 956 | E | 52.9 | Low | 63.5 | Low | 95 Ų | 95 | 67.1 Ų | 67.1 | 44% | 0.444 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 44.6 | 60.2 | -176.4 | -67 | -175.6 | 170.4 | 0 | 0 | 113.9 | R958 W1632 | E956-R958 VanDerWaalsContact C-N 3.27Å; E956-R958 PolarHBondContact O-N 3.09Å; E956-W1632 PolarHBondContact OE2-NE1 3.43Å |
| 957 | N | 56.1 | Low | 64.2 | Low | 101 Ų | 101 | 65.8 Ų | 65.8 | 54% | 0.54 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.4 | 19.9 | 174.6 | -154.3 | 35.3 | 0 | 0 | 0 | 114.8 | L942 C943 V946 Y955 | L942-N957 PolarHBondContact O-OD1 3.49Å; L942-N957 VanDerWaalsContact O-OD1 3.14Å; C943-N957 PolarHBondContact SG-N 3.29Å; C943-N957 VanDerWaalsContact SG-N 3.43Å; V946-N957 HydrophobicContact CG2-CB 4.31Å; V946-N957 WeakPolarHBondContact CG2-OD1 3.43Å; Y955-N957 PolarHBondContact O-N 2.04Å |
| 958 | R | 61.2 | Low | 64.3 | Low | 62 Ų | 62 | 66.3 Ų | 66.3 | 23% | 0.234 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 149.2 | 175.9 | -171.6 | -177 | -67.8 | 151 | 1.3 | 112.7 | C954 Y955 E956 Y960 G1631 W1632 | C954-R958 CarbonylContact C-O 3.52Å; C954-R958 WeakPolarHBondContact CA-O 3.22Å; Y955-R958 PolarHBondContact N-O 3.28Å; Y955-R958 PolarHBondContact O-N 3.24Å; E956-R958 VanDerWaalsContact C-N 3.27Å; E956-R958 PolarHBondContact O-N 3.09Å; R958-Y960 HydrophobicContact CB-CE2 4.4Å; R958-Y960 WeakPolarHBondContact O-CE2 3.45Å; R958-G1631 PolarHBondContact NH1-O 2.91Å; R958-W1632 PolarHBondContact NH1-O 3.45Å |
| 959 | C | 76.6 | Confident | 64.3 | Low | 7 Ų | 7 | 65 Ų | 65 | 5% | 0.047 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 151.2 | -179.5 | -59.4 | 0 | 0 | 0 | 0 | 114.8 | V946 Q947 C948 Q953 G969 V970 | V946-C959 VanDerWaalsContact CG1-SG 3.58Å; Q947-C959 PolarHBondContact O-SG 3.12Å; C948-C959 WeakPolarHBondContact CA-SG 3.49Å; C948-C959 HydrophobicContact CB-CB 3.62Å; C948-C959 WeakPolarHBondContact CB-SG 3.44Å; C948-C959 WeakPolarHBondContact SG-CB 3.34Å; C948-C959 CovalentContact SG-SG 2.03Å; C948-C959 PolarHBondContact SG-SG 2.94Å; Q953-C959 CarbonylContact O-C 3.42Å; Q953-C959 WeakPolarHBondContact O-CA 3.33Å; C959-G969 WeakPolarHBondContact CB-O 3.46Å; C959-V970 HydrophobicContact CB-CG2 3.81Å |
| 960 | Y | 70 | Confident | 63.8 | Low | 65 Ų | 65 | 65.6 Ų | 65.6 | 26% | 0.255 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 136.4 | 176.6 | -54.9 | -90 | 0 | 0 | 0 | 110.5 | G952 Q953 R958 | G952-Y960 CarbonylContact C-O 3.41Å; G952-Y960 WeakPolarHBondContact CA-O 3.48Å; Q953-Y960 PolarHBondContact N-O 2.96Å; Q953-Y960 PolarHBondContact O-N 3.37Å; R958-Y960 HydrophobicContact CB-CE2 4.4Å; R958-Y960 WeakPolarHBondContact O-CE2 3.45Å |
| 961 | C | 69.9 | Low | 63.9 | Low | 35 Ų | 35 | 61.8 Ų | 61.8 | 24% | 0.236 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 137.5 | 176.8 | -65 | 0 | 0 | 0 | 0 | 112.9 | F951 G967 G969 C973 | F951-C961 CarbonylContact O-C 3.57Å; F951-C961 WeakPolarHBondContact O-CA 3.26Å; C961-G967 PolarHBondContact SG-O 3.18Å; C961-G969 PolarHBondContact SG-N 3.27Å; C961-C973 VanDerWaalsContact CA-SG 3.56Å; C961-C973 HydrophobicContact CB-CB 3.83Å; C961-C973 WeakPolarHBondContact CB-SG 3.22Å; C961-C973 WeakPolarHBondContact SG-CB 3.05Å; C961-C973 CovalentContact SG-SG 2.04Å; C961-C973 PolarHBondContact SG-SG 3.19Å |
| 962 | S | 70.8 | Confident | 63.4 | Low | 30 Ų | 30 | 62.5 Ų | 62.5 | 21% | 0.21 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 157 | 176.1 | -63.6 | 0 | 0 | 0 | 0 | 111.5 | F951 G964 Y965 | F951-S962 VanDerWaalsContact O-CB 3.31Å; F951-S962 WeakPolarHBondContact O-CB 3.34Å; F951-S962 PolarHBondContact O-N 3Å; F951-S962 PolarHBondContact O-OG 2.9Å; S962-G964 PolarHBondContact O-N 2.8Å; S962-Y965 PolarHBondContact O-N 3.24Å |
| 963 | H | 60.8 | Low | 62.8 | Low | 134 Ų | 134 | 61.8 Ų | 61.8 | 62% | 0.62 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | 136.8 | 179.9 | -167 | -73.6 | 0 | 0 | 0 | 112.1 | Y965 | H963-Y965 VanDerWaalsContact C-N 3.35Š|
| 964 | G | 53.4 | Low | 62.1 | Low | 8 Ų | 8 | 60 Ų | 60 | 8% | 0.082 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 90 | -13.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | S962 R976 D979 | S962-G964 PolarHBondContact O-N 2.8Å; G964-R976 WeakPolarHBondContact O-CB 3.47Å; G964-R976 WeakPolarHBondContact O-CG 3.38Å; G964-R976 PolarHBondContact O-N 3.42Å; G964-D979 WeakPolarHBondContact CA-OD2 3.05Å |
| 965 | Y | 65.6 | Low | 61.2 | Low | 66 Ų | 66 | 61.2 Ų | 61.2 | 26% | 0.259 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 159.5 | -178.4 | -59.3 | -96.6 | 0 | 0 | 0 | 113.8 | F951 S962 H963 C973 D974 A975 R976 | F951-Y965 HydrophobicContact CB-CD1 4Å; F951-Y965 HydrophobicContact CB-CD2 3.78Å; F951-Y965 HydrophobicContact CB-CE1 4.35Å; F951-Y965 HydrophobicContact CB-CE2 4.14Å; F951-Y965 HydrophobicContact CB-CG 3.71Å; F951-Y965 HydrophobicContact CD1-CD2 4.27Å; F951-Y965 HydrophobicContact CD1-CE1 4.02Å; F951-Y965 AromaticContact CD1-CE2 3.75Å; F951-Y965 HydrophobicContact CD1-CE2 3.75Å; F951-Y965 AromaticContact CD1-CZ 3.61Å; F951-Y965 AromaticContact CD2-CD1 3.41Å; F951-Y965 HydrophobicContact CD2-CD1 3.41Å; F951-Y965 VanDerWaalsContact CD2-CD1 3.41Å; F951-Y965 HydrophobicContact CD2-CD2 4.46Å; F951-Y965 AromaticContact CD2-CE1 3.25Å; F951-Y965 HydrophobicContact CD2-CE1 3.25Å; F951-Y965 HydrophobicContact CD2-CE2 4.34Å; F951-Y965 HydrophobicContact CD2-CG 4.05Å; F951-Y965 AromaticContact CD2-CZ 3.77Å; F951-Y965 HydrophobicContact CE1-CE1 4.06Å; F951-Y965 HydrophobicContact CE1-CE2 4.18Å; F951-Y965 AromaticContact CE1-CZ 3.63Å; F951-Y965 WeakPolarHBondContact CE1-OH 3.01Å; F951-Y965 AromaticContact CE2-CD1 3.94Å; F951-Y965 HydrophobicContact CE2-CD1 3.94Å; F951-Y965 AromaticContact CE2-CE1 3.32Å; F951-Y965 HydrophobicContact CE2-CE1 3.32Å; F951-Y965 AromaticContact CE2-CZ 3.8Å; F951-Y965 AromaticContact CG-CD1 3.74Å; F951-Y965 HydrophobicContact CG-CD1 3.74Å; F951-Y965 AromaticContact CG-CD2 3.95Å; F951-Y965 HydrophobicContact CG-CD2 3.95Å; F951-Y965 AromaticContact CG-CE1 3.63Å; F951-Y965 HydrophobicContact CG-CE1 3.63Å; F951-Y965 AromaticContact CG-CE2 3.84Å; F951-Y965 HydrophobicContact CG-CE2 3.84Å; F951-Y965 AromaticContact CG-CG 3.92Å; F951-Y965 HydrophobicContact CG-CG 3.92Å; F951-Y965 AromaticContact CG-CZ 3.68Å; F951-Y965 AromaticContact CZ-CE1 3.73Å; F951-Y965 HydrophobicContact CZ-CE1 3.73Å; F951-Y965 AromaticContact CZ-CZ 3.72Å; F951-Y965 WeakPolarHBondContact CZ-OH 3.16Å; S962-Y965 PolarHBondContact O-N 3.24Å; H963-Y965 VanDerWaalsContact C-N 3.35Å; Y965-C973 WeakPolarHBondContact CD1-O 2.82Å; Y965-C973 HydrophobicContact CG-CB 4.49Å; Y965-D974 CarbonylContact C-O 3.28Å; Y965-D974 WeakPolarHBondContact CA-O 3.15Å; Y965-A975 HydrophobicContact CD1-CB 4.2Å; Y965-A975 HydrophobicContact CE1-CB 3.92Å; Y965-R976 PolarHBondContact O-NH1 2.89Å |
| 966 | V | 57.1 | Low | 60.8 | Low | 31 Ų | 31 | 59 Ų | 59 | 19% | 0.188 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 135.7 | -175.7 | -81.3 | 0 | 0 | 0 | 0 | 111.7 | C973 D974 R976 | V966-C973 CarbonylContact O-C 3.58Å; V966-C973 VanDerWaalsContact O-CA 3.29Å; V966-C973 WeakPolarHBondContact O-CA 3.34Å; V966-D974 WeakPolarHBondContact CG2-O 2.96Å; V966-D974 PolarHBondContact N-O 3.09Å; V966-D974 PolarHBondContact O-N 2.81Å; V966-R976 HydrophobicContact CG1-CG 3.83Å; V966-R976 HydrophobicContact CG2-CG 4.11Å |
| 967 | G | 69.1 | Low | 60.7 | Low | 9 Ų | 9 | 58.8 Ų | 58.8 | 9% | 0.093 | 32% | 0.318 | C | S | . | . | S | Bend | trans | 151.8 | -176.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | C961 G969 F972 | C961-G967 PolarHBondContact SG-O 3.18Å; G967-G969 PolarHBondContact O-N 3.41Å; G967-F972 CarbonylContact C-O 3.56Å; G967-F972 WeakPolarHBondContact CA-O 3.03Å |
| 968 | D | 58.9 | Low | 60.6 | Low | 51 Ų | 51 | 61.6 Ų | 61.6 | 27% | 0.273 | 33% | 0.333 | S | S | . | . | trans | -73.9 | -4.9 | -174.6 | 69.4 | -1.6 | 0 | 0 | 0 | 114.5 | V970 N971 F972 | D968-V970 PolarHBondContact O-N 3.43Å; D968-V970 PolarHBondContact OD1-N 3.38Å; D968-N971 PolarHBondContact OD1-N 2.86Å; D968-N971 WeakPolarHBondContact OD2-CB 3.49Å; D968-N971 PolarHBondContact OD2-N 3.03Å; D968-N971 PolarHBondContact OD2-ND2 2.65Å; D968-F972 PolarHBondContact N-O 3.06Å; D968-F972 PolarHBondContact OD1-N 2.89Å | ||
| 969 | G | 66 | Low | 60.2 | Low | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 33% | 0.332 | C | S | . | . | S | Bend | trans | 76.2 | -5.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | C948 H949 C959 C961 G967 F972 | C948-G969 CarbonylContact C-O 3.54Å; C948-G969 WeakPolarHBondContact CA-O 3.19Å; C948-G969 WeakPolarHBondContact CB-O 3.44Å; H949-G969 PolarHBondContact N-O 3Å; C959-G969 WeakPolarHBondContact CB-O 3.46Å; C961-G969 PolarHBondContact SG-N 3.27Å; G967-G969 PolarHBondContact O-N 3.41Å; G969-F972 PolarHBondContact N-O 3.01Å |
| 970 | V | 61.5 | Low | 59.7 | Low | 53 Ų | 53 | 64.2 Ų | 64.2 | 32% | 0.321 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -120.5 | -57.3 | -172.4 | -178.9 | 0 | 0 | 0 | 0 | 111 | H949 C959 D968 | H949-V970 WeakPolarHBondContact CB-O 3.17Å; H949-V970 PolarHBondContact N-O 3.23Å; C959-V970 HydrophobicContact CB-CG2 3.81Å; D968-V970 PolarHBondContact O-N 3.43Å; D968-V970 PolarHBondContact OD1-N 3.38Å |
| 971 | N | 60 | Low | 59.7 | Low | 120 Ų | 120 | 61.9 Ų | 61.9 | 64% | 0.642 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -91.5 | -36.1 | -179.7 | -59.4 | -75.2 | 0 | 0 | 0 | 111.8 | H949 D968 | H949-N971 PolarHBondContact CD2-O 3.02Å; D968-N971 PolarHBondContact OD1-N 2.86Å; D968-N971 WeakPolarHBondContact OD2-CB 3.49Å; D968-N971 PolarHBondContact OD2-N 3.03Å; D968-N971 PolarHBondContact OD2-ND2 2.65Å |
| 972 | F | 55 | Low | 59.2 | Low | 82 Ų | 82 | 67.2 Ų | 67.2 | 36% | 0.36 | 38% | 0.375 | S | S | . | . | trans | -153.1 | 156.8 | 178.3 | 72.3 | -74.5 | 0 | 0 | 0 | 113.8 | G967 D968 G969 | G967-F972 CarbonylContact C-O 3.56Å; G967-F972 WeakPolarHBondContact CA-O 3.03Å; D968-F972 PolarHBondContact N-O 3.06Å; D968-F972 PolarHBondContact OD1-N 2.89Å; G969-F972 PolarHBondContact N-O 3.01Å | ||
| 973 | C | 59.6 | Low | 58.9 | Low | 1 Ų | 1 | 69.1 Ų | 69.1 | 1% | 0.007 | 40% | 0.399 | C | S | . | . | trans | -149.8 | 102.1 | 166.7 | -62 | 0 | 0 | 0 | 0 | 105.9 | H949 F951 C961 Y965 V966 | H949-C973 PolarHBondContact CE1-N 2.9Å; H949-C973 PolarHBondContact CE1-O 2.87Å; H949-C973 WeakPolarHBondContact ND1-CB 3.27Å; H949-C973 PolarHBondContact ND1-N 3.34Å; F951-C973 HydrophobicContact CB-CB 3.97Å; F951-C973 WeakPolarHBondContact CD2-O 3.36Å; F951-C973 PolarHBondContact O-SG 2.92Å; C961-C973 VanDerWaalsContact CA-SG 3.56Å; C961-C973 HydrophobicContact CB-CB 3.83Å; C961-C973 WeakPolarHBondContact CB-SG 3.22Å; C961-C973 WeakPolarHBondContact SG-CB 3.05Å; C961-C973 CovalentContact SG-SG 2.04Å; C961-C973 PolarHBondContact SG-SG 3.19Å; Y965-C973 WeakPolarHBondContact CD1-O 2.82Å; Y965-C973 HydrophobicContact CG-CB 4.49Å; V966-C973 CarbonylContact O-C 3.58Å; V966-C973 VanDerWaalsContact O-CA 3.29Å; V966-C973 WeakPolarHBondContact O-CA 3.34Å | ||
| 974 | D | 53.2 | Low | 59.6 | Low | 100 Ų | 100 | 64.8 Ų | 64.8 | 54% | 0.535 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 149.9 | -179.4 | -74 | -42.8 | 0 | 0 | 0 | 111.4 | Y965 V966 R976 | Y965-D974 CarbonylContact C-O 3.28Å; Y965-D974 WeakPolarHBondContact CA-O 3.15Å; V966-D974 WeakPolarHBondContact CG2-O 2.96Å; V966-D974 PolarHBondContact N-O 3.09Å; V966-D974 PolarHBondContact O-N 2.81Å; D974-R976 PolarHBondContact O-N 3.21Å |
| 975 | A | 50.7 | Low | 60.2 | Low | 71 Ų | 71 | 74.9 Ų | 74.9 | 59% | 0.587 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 129.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110 | Y965 A977 | Y965-A975 HydrophobicContact CD1-CB 4.2Å; Y965-A975 HydrophobicContact CE1-CB 3.92Å; A975-A977 PolarHBondContact O-N 2.95Å |
| 976 | R | 48.6 | Very low | 61 | Low | 119 Ų | 119 | 73.7 Ų | 73.7 | 45% | 0.449 | 42% | 0.418 | S | S | . | . | trans | -57.9 | 113.5 | 177.7 | -82.6 | -175.2 | 170.5 | 78.6 | 2.2 | 110.3 | G964 Y965 V966 D974 N978 D979 | G964-R976 WeakPolarHBondContact O-CB 3.47Å; G964-R976 WeakPolarHBondContact O-CG 3.38Å; G964-R976 PolarHBondContact O-N 3.42Å; Y965-R976 PolarHBondContact O-NH1 2.89Å; V966-R976 HydrophobicContact CG1-CG 3.83Å; V966-R976 HydrophobicContact CG2-CG 4.11Å; D974-R976 PolarHBondContact O-N 3.21Å; R976-N978 PolarHBondContact O-N 3.32Å; R976-N978 VanDerWaalsContact O-N 3.16Å; R976-D979 HydrophobicContact CB-CB 4.26Å; R976-D979 PolarHBondContact O-N 3.17Å | ||
| 977 | A | 51.3 | Low | 61.9 | Low | 89 Ų | 89 | 73 Ų | 73 | 74% | 0.736 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | 117.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | A975 | A975-A977 PolarHBondContact O-N 2.95Š|
| 978 | N | 53.4 | Low | 62.1 | Low | 160 Ų | 160 | 76.3 Ų | 76.3 | 86% | 0.856 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.6 | 44.8 | -172.1 | -39.3 | -70.8 | 0 | 0 | 0 | 115.7 | R976 P980 | R976-N978 PolarHBondContact O-N 3.32Å; R976-N978 VanDerWaalsContact O-N 3.16Å; N978-P980 VanDerWaalsContact O-CD 3.31Å; N978-P980 WeakPolarHBondContact O-CD 3.13Å |
| 979 | D | 53.2 | Low | 62.8 | Low | 40 Ų | 40 | 77.3 Ų | 77.3 | 21% | 0.214 | 45% | 0.448 | C | S | . | . | trans | -62.6 | 117.3 | 166.5 | -170.6 | -16 | 0 | 0 | 0 | 111.1 | G964 R976 C981 D982 | G964-D979 WeakPolarHBondContact CA-OD2 3.05Å; R976-D979 HydrophobicContact CB-CB 4.26Å; R976-D979 PolarHBondContact O-N 3.17Å; D979-C981 PolarHBondContact O-N 2.96Å; D979-C981 VanDerWaalsContact O-N 3.15Å; D979-C981 VanDerWaalsContact OD1-CB 3.32Å; D979-C981 WeakPolarHBondContact OD1-CB 3.24Å; D979-C981 PolarHBondContact OD1-N 3.14Å; D979-D982 WeakPolarHBondContact O-CB 3.41Å; D979-D982 PolarHBondContact O-N 3.43Å; D979-D982 VanDerWaalsContact O-N 3.08Å | ||
| 980 | P | 65.6 | Low | 63.6 | Low | 84 Ų | 84 | 78 Ų | 78 | 55% | 0.545 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -8.5 | 177.4 | 29.5 | -36.2 | 0 | 0 | 0 | 114 | N978 G995 | N978-P980 VanDerWaalsContact O-CD 3.31Å; N978-P980 WeakPolarHBondContact O-CD 3.13Å; P980-G995 VanDerWaalsContact O-CA 3.25Å; P980-G995 WeakPolarHBondContact O-CA 3.35Å |
| 981 | C | 69.2 | Low | 64.5 | Low | 17 Ų | 17 | 80.7 Ų | 80.7 | 12% | 0.115 | 46% | 0.46 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -1.5 | 171.3 | -70.7 | 0 | 0 | 0 | 0 | 114 | D979 G983 V984 C992 | D979-C981 PolarHBondContact O-N 2.96Å; D979-C981 VanDerWaalsContact O-N 3.15Å; D979-C981 VanDerWaalsContact OD1-CB 3.32Å; D979-C981 WeakPolarHBondContact OD1-CB 3.24Å; D979-C981 PolarHBondContact OD1-N 3.14Å; C981-G983 PolarHBondContact O-N 3.43Å; C981-V984 WeakPolarHBondContact O-CB 3.36Å; C981-V984 PolarHBondContact O-N 2.98Å; C981-C992 HydrophobicContact CB-CB 3.81Å; C981-C992 WeakPolarHBondContact CB-SG 3.37Å; C981-C992 WeakPolarHBondContact SG-CB 3.27Å; C981-C992 CovalentContact SG-SG 2.04Å; C981-C992 PolarHBondContact SG-SG 2.99Å |
| 982 | D | 60 | Low | 65.6 | Low | 146 Ų | 146 | 76 Ų | 76 | 78% | 0.781 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | 127.4 | 178.3 | -170 | 19.2 | 0 | 0 | 0 | 111.5 | D979 V984 | D979-D982 WeakPolarHBondContact O-CB 3.41Å; D979-D982 PolarHBondContact O-N 3.43Å; D979-D982 VanDerWaalsContact O-N 3.08Å; D982-V984 VanDerWaalsContact C-N 3.26Å; D982-V984 PolarHBondContact O-N 3.05Å |
| 983 | G | 64.1 | Low | 66.5 | Low | 70 Ų | 70 | 76.6 Ų | 76.6 | 72% | 0.722 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.1 | -2.9 | -171.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | C981 R985 | C981-G983 PolarHBondContact O-N 3.43Å; G983-R985 PolarHBondContact O-N 2.93Å |
| 984 | V | 75.2 | Confident | 66.9 | Low | 44 Ų | 44 | 83.3 Ų | 83.3 | 27% | 0.267 | 48% | 0.476 | S | S | . | . | trans | -78.3 | 115.4 | 179.9 | -178.7 | 0 | 0 | 0 | 0 | 110.7 | C981 D982 C992 C997 Y1008 | C981-V984 WeakPolarHBondContact O-CB 3.36Å; C981-V984 PolarHBondContact O-N 2.98Å; D982-V984 VanDerWaalsContact C-N 3.26Å; D982-V984 PolarHBondContact O-N 3.05Å; V984-C992 HydrophobicContact CG1-CB 4.38Å; V984-C997 VanDerWaalsContact CG1-SG 3.59Å; V984-Y1008 HydrophobicContact CG1-CE1 4.19Å | ||
| 985 | R | 66.7 | Low | 67.9 | Low | 220 Ų | 220 | 79.5 Ų | 79.5 | 83% | 0.83 | 46% | 0.46 | S | S | * | . | P | Polyproline II helix | trans | -103.8 | 117.2 | 175.8 | -60.5 | -173.5 | 70.6 | -158.7 | 0.5 | 110.3 | G983 | G983-R985 PolarHBondContact O-N 2.93Š|
| 986 | C | 83 | Confident | 69.5 | Low | 40 Ų | 40 | 84.1 Ų | 84.1 | 27% | 0.27 | 46% | 0.463 | S | S | . | . | P | Polyproline II helix | trans | -93.9 | 164.3 | 176.7 | -56 | 0 | 0 | 0 | 0 | 112.3 | G990 C997 G1007 | C986-G990 WeakPolarHBondContact CB-O 3.42Å; C986-C997 WeakPolarHBondContact CA-SG 3.35Å; C986-C997 HydrophobicContact CB-CB 3.72Å; C986-C997 WeakPolarHBondContact CB-SG 2.97Å; C986-C997 WeakPolarHBondContact SG-CB 3.49Å; C986-C997 CovalentContact SG-SG 2.04Å; C986-C997 PolarHBondContact SG-SG 3.27Å; C986-G1007 WeakPolarHBondContact CB-O 3.42Å |
| 987 | A | 76.5 | Confident | 71.4 | Confident | 16 Ų | 16 | 78.7 Ų | 78.7 | 13% | 0.132 | 44% | 0.443 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 165 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | N989 G990 G1007 Y1008 N1009 E1010 | A987-N989 PolarHBondContact O-N 2.89Å; A987-G990 PolarHBondContact O-N 2.87Å; A987-G990 VanDerWaalsContact O-N 3.11Å; A987-G1007 WeakPolarHBondContact CB-O 3.05Å; A987-G1007 PolarHBondContact N-O 3.16Å; A987-Y1008 PolarHBondContact N-O 3.07Å; A987-N1009 VanDerWaalsContact CB-C 3.44Å; A987-E1010 VanDerWaalsContact CB-N 3.31Å |
| 988 | A | 73 | Confident | 72.9 | Confident | 80 Ų | 80 | 76.7 Ų | 76.7 | 66% | 0.661 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | 136.6 | 167 | 0 | 0 | 0 | 0 | 0 | 110.1 | G990 C1011 | A988-G990 VanDerWaalsContact C-N 3.3Å; A988-C1011 WeakPolarHBondContact O-CB 3.48Å |
| 989 | N | 73.3 | Confident | 74.4 | Confident | 71 Ų | 71 | 70.3 Ų | 70.3 | 38% | 0.38 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.7 | 28.6 | -172.2 | -40.5 | -51.1 | 0 | 0 | 0 | 114.5 | A987 C999 D1000 Y1003 C1011 | A987-N989 PolarHBondContact O-N 2.89Å; N989-C999 WeakPolarHBondContact O-CA 3.42Å; N989-D1000 PolarHBondContact O-N 3.28Å; N989-Y1003 HydrophobicContact CB-CD1 3.77Å; N989-Y1003 HydrophobicContact CB-CD2 3.88Å; N989-Y1003 HydrophobicContact CB-CE1 3.89Å; N989-Y1003 HydrophobicContact CB-CE2 3.99Å; N989-Y1003 HydrophobicContact CB-CG 3.77Å; N989-Y1003 WeakPolarHBondContact ND2-CE1 3.33Å; N989-C1011 HydrophobicContact CB-CB 4.16Å; N989-C1011 WeakPolarHBondContact O-CB 3.48Å; N989-C1011 PolarHBondContact O-SG 3.18Å |
| 990 | G | 83.2 | Confident | 75.8 | Confident | 16 Ų | 16 | 70.7 Ų | 70.7 | 17% | 0.165 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 142.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | C986 A987 A988 V998 | C986-G990 WeakPolarHBondContact CB-O 3.42Å; A987-G990 PolarHBondContact O-N 2.87Å; A987-G990 VanDerWaalsContact O-N 3.11Å; A988-G990 VanDerWaalsContact C-N 3.3Å; G990-V998 CarbonylContact C-O 3.53Å; G990-V998 WeakPolarHBondContact CA-O 3.3Å |
| 991 | R | 80.3 | Confident | 76.2 | Confident | 108 Ų | 108 | 72.4 Ų | 72.4 | 41% | 0.408 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 153.6 | 178.2 | 68.1 | 178.4 | -169.6 | -79.5 | -10.4 | 111.3 | C997 V998 D1000 | R991-C997 CarbonylContact O-C 3.52Å; R991-C997 WeakPolarHBondContact O-CA 3.08Å; R991-V998 HydrophobicContact CG-CG2 3.96Å; R991-V998 PolarHBondContact N-O 3.11Å; R991-V998 PolarHBondContact O-N 2.05Å; R991-D1000 WeakPolarHBondContact CD-OD1 3.44Å; R991-D1000 IonicContact CZ-OD1 2.71Å; R991-D1000 IonicContact NH1-OD1 2.88Å; R991-D1000 PolarHBondContact NH1-OD1 3.24Å |
| 992 | C | 81.6 | Confident | 75.9 | Confident | 22 Ų | 22 | 74.1 Ų | 74.1 | 15% | 0.149 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 135.2 | 173.1 | -172.2 | 0 | 0 | 0 | 0 | 110.7 | C981 V984 | C981-C992 HydrophobicContact CB-CB 3.81Å; C981-C992 WeakPolarHBondContact CB-SG 3.37Å; C981-C992 WeakPolarHBondContact SG-CB 3.27Å; C981-C992 CovalentContact SG-SG 2.04Å; C981-C992 PolarHBondContact SG-SG 2.99Å; V984-C992 HydrophobicContact CG1-CB 4.38Å |
| 993 | Q | 74.9 | Confident | 76.8 | Confident | 94 Ų | 94 | 70 Ų | 70 | 44% | 0.439 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 121 | 174.5 | -174.7 | 169.4 | -10.2 | 0 | 0 | 107.7 | G995 R996 V998 | Q993-G995 VanDerWaalsContact C-N 3.31Å; Q993-G995 PolarHBondContact O-N 3.36Å; Q993-R996 PolarHBondContact N-O 3.28Å; Q993-R996 PolarHBondContact O-N 2.94Å; Q993-V998 HydrophobicContact CB-CG2 4.06Å |
| 994 | D | 67.4 | Low | 77.1 | Confident | 142 Ų | 142 | 70.5 Ų | 70.5 | 76% | 0.759 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.9 | 46 | -174.3 | -60.9 | -40.3 | 0 | 0 | 0 | 114.2 | R996 | D994-R996 PolarHBondContact O-N 2.9Š|
| 995 | G | 75.5 | Confident | 77.6 | Confident | 20 Ų | 20 | 70.9 Ų | 70.9 | 21% | 0.206 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.6 | 5.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | P980 Q993 Y1008 | P980-G995 VanDerWaalsContact O-CA 3.25Å; P980-G995 WeakPolarHBondContact O-CA 3.35Å; Q993-G995 VanDerWaalsContact C-N 3.31Å; Q993-G995 PolarHBondContact O-N 3.36Å; G995-Y1008 PolarHBondContact O-OH 2.87Å |
| 996 | R | 83.8 | Confident | 78 | Confident | 169 Ų | 169 | 64.2 Ų | 64.2 | 64% | 0.638 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121 | 133 | -179.2 | -163.7 | 176 | -171.6 | 154.9 | 4.2 | 112.3 | Q993 D994 Y1008 | Q993-R996 PolarHBondContact N-O 3.28Å; Q993-R996 PolarHBondContact O-N 2.94Å; D994-R996 PolarHBondContact O-N 2.9Å; R996-Y1008 WeakPolarHBondContact CA-OH 3.36Å; R996-Y1008 HydrophobicContact CG-CE2 3.96Å; R996-Y1008 WeakPolarHBondContact CG-OH 3.35Å |
| 997 | C | 87.4 | Confident | 77.7 | Confident | 4 Ų | 4 | 62.3 Ų | 62.3 | 3% | 0.027 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 133.5 | 174.4 | -60.9 | 0 | 0 | 0 | 0 | 111.5 | V984 C986 R991 G1007 Y1008 | V984-C997 VanDerWaalsContact CG1-SG 3.59Å; C986-C997 WeakPolarHBondContact CA-SG 3.35Å; C986-C997 HydrophobicContact CB-CB 3.72Å; C986-C997 WeakPolarHBondContact CB-SG 2.97Å; C986-C997 WeakPolarHBondContact SG-CB 3.49Å; C986-C997 CovalentContact SG-SG 2.04Å; C986-C997 PolarHBondContact SG-SG 3.27Å; R991-C997 CarbonylContact O-C 3.52Å; R991-C997 WeakPolarHBondContact O-CA 3.08Å; C997-G1007 WeakPolarHBondContact CB-O 3.22Å; C997-Y1008 HydrophobicContact CB-CD1 3.99Å; C997-Y1008 HydrophobicContact CB-CD2 4.11Å; C997-Y1008 HydrophobicContact CB-CE1 4.11Å; C997-Y1008 HydrophobicContact CB-CE2 4.22Å; C997-Y1008 HydrophobicContact CB-CG 4.02Å; C997-Y1008 VanDerWaalsContact SG-CD1 3.54Å |
| 998 | V | 84.1 | Confident | 78 | Confident | 48 Ų | 48 | 66 Ų | 66 | 29% | 0.291 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 141.7 | 174.2 | -64.7 | 0 | 0 | 0 | 0 | 109.5 | G990 R991 Q993 | G990-V998 CarbonylContact C-O 3.53Å; G990-V998 WeakPolarHBondContact CA-O 3.3Å; R991-V998 HydrophobicContact CG-CG2 3.96Å; R991-V998 PolarHBondContact N-O 3.11Å; R991-V998 PolarHBondContact O-N 2.05Å; Q993-V998 HydrophobicContact CB-CG2 4.06Å |
| 999 | C | 85 | Confident | 78.3 | Confident | 26 Ų | 26 | 68.6 Ų | 68.6 | 18% | 0.176 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 146.3 | 177.1 | -61.1 | 0 | 0 | 0 | 0 | 111.7 | N989 G1005 C1011 | N989-C999 WeakPolarHBondContact O-CA 3.42Å; C999-G1005 PolarHBondContact SG-N 2.96Å; C999-C1011 WeakPolarHBondContact CA-SG 3.47Å; C999-C1011 HydrophobicContact CB-CB 3.76Å; C999-C1011 WeakPolarHBondContact CB-SG 3.34Å; C999-C1011 VanDerWaalsContact SG-CA 3.57Å; C999-C1011 WeakPolarHBondContact SG-CB 2.94Å; C999-C1011 CovalentContact SG-SG 2.04Å; C999-C1011 PolarHBondContact SG-SG 3.24Å |
| 1000 | D | 81.1 | Confident | 78.1 | Confident | 47 Ų | 47 | 69.1 Ų | 69.1 | 25% | 0.251 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -72.9 | 157.2 | 178.4 | -69.3 | -48.9 | 0 | 0 | 0 | 112.4 | N989 R991 G1002 Y1003 | N989-D1000 PolarHBondContact O-N 3.28Å; R991-D1000 WeakPolarHBondContact CD-OD1 3.44Å; R991-D1000 IonicContact CZ-OD1 2.71Å; R991-D1000 IonicContact NH1-OD1 2.88Å; R991-D1000 PolarHBondContact NH1-OD1 3.24Å; D1000-G1002 PolarHBondContact O-N 2.96Å; D1000-Y1003 HydrophobicContact CB-CD2 4.43Å; D1000-Y1003 WeakPolarHBondContact O-CB 3.46Å; D1000-Y1003 PolarHBondContact O-N 2.88Å |
| 1001 | P | 74.6 | Confident | 77.9 | Confident | 120 Ų | 120 | 69 Ų | 69 | 78% | 0.779 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | 132 | -177.5 | -25.9 | 35.6 | 0 | 0 | 0 | 112.5 | ||
| 1002 | G | 63.8 | Low | 77.4 | Confident | 54 Ų | 54 | 71.2 Ų | 71.2 | 56% | 0.557 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.9 | -13.3 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | D1000 A1014 | D1000-G1002 PolarHBondContact O-N 2.96Å; G1002-A1014 PolarHBondContact O-N 3.15Å |
| 1003 | Y | 77.8 | Confident | 76.2 | Confident | 58 Ų | 58 | 75.4 Ų | 75.4 | 23% | 0.227 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 153.4 | 174.7 | -59.4 | -94.1 | 0 | 0 | 0 | 112 | N989 D1000 R1012 E1013 R1033 | N989-Y1003 HydrophobicContact CB-CD1 3.77Å; N989-Y1003 HydrophobicContact CB-CD2 3.88Å; N989-Y1003 HydrophobicContact CB-CE1 3.89Å; N989-Y1003 HydrophobicContact CB-CE2 3.99Å; N989-Y1003 HydrophobicContact CB-CG 3.77Å; N989-Y1003 WeakPolarHBondContact ND2-CE1 3.33Å; D1000-Y1003 HydrophobicContact CB-CD2 4.43Å; D1000-Y1003 WeakPolarHBondContact O-CB 3.46Å; D1000-Y1003 PolarHBondContact O-N 2.88Å; Y1003-R1012 CarbonylContact C-O 3.46Å; Y1003-R1012 VanDerWaalsContact CA-O 3.3Å; Y1003-R1012 WeakPolarHBondContact CA-O 3.39Å; Y1003-E1013 HydrophobicContact CD1-CG 3.92Å; Y1003-E1013 HydrophobicContact CE1-CG 3.5Å; Y1003-E1013 VanDerWaalsContact CE1-CG 3.5Å; Y1003-R1033 PolarHBondContact OH-NH1 3.04Å |
| 1004 | T | 71.4 | Confident | 75.4 | Confident | 81 Ų | 81 | 73.6 Ų | 73.6 | 50% | 0.497 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 137.4 | 179.5 | 54.2 | 0 | 0 | 0 | 0 | 109.7 | R1012 A1014 | T1004-R1012 PolarHBondContact N-O 3.26Å; T1004-R1012 PolarHBondContact O-N 2.85Å; T1004-R1012 PolarHBondContact OG1-O 2.83Å; T1004-A1014 HydrophobicContact CG2-CB 3.93Å |
| 1005 | G | 84.6 | Confident | 74.1 | Confident | 52 Ų | 52 | 76.4 Ų | 76.4 | 54% | 0.536 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 165.3 | -165.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | C999 E1010 | C999-G1005 PolarHBondContact SG-N 2.96Å; G1005-E1010 CarbonylContact C-O 3.46Å; G1005-E1010 VanDerWaalsContact CA-O 3.3Å; G1005-E1010 WeakPolarHBondContact CA-O 3.28Å |
| 1006 | D | 76.7 | Confident | 72.7 | Confident | 80 Ų | 80 | 79.2 Ų | 79.2 | 43% | 0.428 | 44% | 0.442 | S | S | . | . | trans | -90.3 | -8.6 | -178.3 | 81.1 | -15.9 | 0 | 0 | 0 | 113.6 | Y1008 N1009 E1010 | D1006-Y1008 WeakPolarHBondContact O-CD2 3.07Å; D1006-Y1008 PolarHBondContact O-N 3.07Å; D1006-Y1008 VanDerWaalsContact O-N 3.08Å; D1006-Y1008 PolarHBondContact OD1-N 3.02Å; D1006-N1009 PolarHBondContact OD1-N 3.16Å; D1006-N1009 PolarHBondContact OD2-ND2 2.66Å; D1006-E1010 PolarHBondContact N-O 3.49Å; D1006-E1010 PolarHBondContact OD1-N 3.1Å | ||
| 1007 | G | 76.5 | Confident | 70.4 | Confident | 0 Ų | 0 | 76.8 Ų | 76.8 | 0% | 0 | 45% | 0.446 | C | S | . | . | S | Bend | trans | 79 | -31.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | C986 A987 C997 E1010 | C986-G1007 WeakPolarHBondContact CB-O 3.42Å; A987-G1007 WeakPolarHBondContact CB-O 3.05Å; A987-G1007 PolarHBondContact N-O 3.16Å; C997-G1007 WeakPolarHBondContact CB-O 3.22Å; G1007-E1010 PolarHBondContact N-O 2.83Å |
| 1008 | Y | 82.6 | Confident | 68.3 | Low | 93 Ų | 93 | 83.3 Ų | 83.3 | 37% | 0.365 | 48% | 0.48 | S | S | . | . | S | Bend | trans | -92.6 | -44.3 | -172 | -75.2 | -81 | 0 | 0 | 0 | 113.6 | V984 A987 G995 R996 C997 D1006 | V984-Y1008 HydrophobicContact CG1-CE1 4.19Å; A987-Y1008 PolarHBondContact N-O 3.07Å; G995-Y1008 PolarHBondContact O-OH 2.87Å; R996-Y1008 WeakPolarHBondContact CA-OH 3.36Å; R996-Y1008 HydrophobicContact CG-CE2 3.96Å; R996-Y1008 WeakPolarHBondContact CG-OH 3.35Å; C997-Y1008 HydrophobicContact CB-CD1 3.99Å; C997-Y1008 HydrophobicContact CB-CD2 4.11Å; C997-Y1008 HydrophobicContact CB-CE1 4.11Å; C997-Y1008 HydrophobicContact CB-CE2 4.22Å; C997-Y1008 HydrophobicContact CB-CG 4.02Å; C997-Y1008 VanDerWaalsContact SG-CD1 3.54Å; D1006-Y1008 WeakPolarHBondContact O-CD2 3.07Å; D1006-Y1008 PolarHBondContact O-N 3.07Å; D1006-Y1008 VanDerWaalsContact O-N 3.08Å; D1006-Y1008 PolarHBondContact OD1-N 3.02Å |
| 1009 | N | 78.5 | Confident | 66.8 | Low | 135 Ų | 135 | 85.9 Ų | 85.9 | 72% | 0.722 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -110.3 | -28.4 | -178.4 | -55.1 | -79.4 | 0 | 0 | 0 | 111.1 | A987 D1006 | A987-N1009 VanDerWaalsContact CB-C 3.44Å; D1006-N1009 PolarHBondContact OD1-N 3.16Å; D1006-N1009 PolarHBondContact OD2-ND2 2.66Å |
| 1010 | E | 68.6 | Low | 65.9 | Low | 83 Ų | 83 | 86.4 Ų | 86.4 | 39% | 0.388 | 50% | 0.495 | S | S | . | . | trans | -156.8 | 136.4 | -171.6 | -166.9 | 172.3 | -139.8 | 0 | 0 | 114.4 | A987 G1005 D1006 G1007 R1012 | A987-E1010 VanDerWaalsContact CB-N 3.31Å; G1005-E1010 CarbonylContact C-O 3.46Å; G1005-E1010 VanDerWaalsContact CA-O 3.3Å; G1005-E1010 WeakPolarHBondContact CA-O 3.28Å; D1006-E1010 PolarHBondContact N-O 3.49Å; D1006-E1010 PolarHBondContact OD1-N 3.1Å; G1007-E1010 PolarHBondContact N-O 2.83Å; E1010-R1012 VanDerWaalsContact CD-CZ 3.44Å; E1010-R1012 HydrophobicContact CG-CG 3.7Å; E1010-R1012 IonicContact OE1-CZ 3.26Å; E1010-R1012 IonicContact OE1-NE 3.14Å; E1010-R1012 PolarHBondContact OE1-NE 3.22Å; E1010-R1012 IonicContact OE1-NH2 2.8Å; E1010-R1012 PolarHBondContact OE1-NH2 3.29Å; E1010-R1012 IonicContact OE2-CZ 2.93Å; E1010-R1012 IonicContact OE2-NE 2.74Å; E1010-R1012 PolarHBondContact OE2-NE 2.73Å; E1010-R1012 IonicContact OE2-NH2 2.71Å; E1010-R1012 PolarHBondContact OE2-NH2 3.43Å | ||
| 1011 | C | 78.7 | Confident | 64.7 | Low | 13 Ų | 13 | 87 Ų | 87 | 9% | 0.088 | 51% | 0.512 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 115.3 | 163.7 | -68.9 | 0 | 0 | 0 | 0 | 109.1 | A988 N989 C999 | A988-C1011 WeakPolarHBondContact O-CB 3.48Å; N989-C1011 HydrophobicContact CB-CB 4.16Å; N989-C1011 WeakPolarHBondContact O-CB 3.48Å; N989-C1011 PolarHBondContact O-SG 3.18Å; C999-C1011 WeakPolarHBondContact CA-SG 3.47Å; C999-C1011 HydrophobicContact CB-CB 3.76Å; C999-C1011 WeakPolarHBondContact CB-SG 3.34Å; C999-C1011 VanDerWaalsContact SG-CA 3.57Å; C999-C1011 WeakPolarHBondContact SG-CB 2.94Å; C999-C1011 CovalentContact SG-SG 2.04Å; C999-C1011 PolarHBondContact SG-SG 3.24Å |
| 1012 | R | 70.1 | Confident | 64 | Low | 155 Ų | 155 | 89.2 Ų | 89.2 | 59% | 0.585 | 52% | 0.518 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 148.4 | -176.1 | -43.7 | -176.9 | -170.3 | -146.2 | -9.4 | 110.9 | Y1003 T1004 E1010 | Y1003-R1012 CarbonylContact C-O 3.46Å; Y1003-R1012 VanDerWaalsContact CA-O 3.3Å; Y1003-R1012 WeakPolarHBondContact CA-O 3.39Å; T1004-R1012 PolarHBondContact N-O 3.26Å; T1004-R1012 PolarHBondContact O-N 2.85Å; T1004-R1012 PolarHBondContact OG1-O 2.83Å; E1010-R1012 VanDerWaalsContact CD-CZ 3.44Å; E1010-R1012 HydrophobicContact CG-CG 3.7Å; E1010-R1012 IonicContact OE1-CZ 3.26Å; E1010-R1012 IonicContact OE1-NE 3.14Å; E1010-R1012 PolarHBondContact OE1-NE 3.22Å; E1010-R1012 IonicContact OE1-NH2 2.8Å; E1010-R1012 PolarHBondContact OE1-NH2 3.29Å; E1010-R1012 IonicContact OE2-CZ 2.93Å; E1010-R1012 IonicContact OE2-NE 2.74Å; E1010-R1012 PolarHBondContact OE2-NE 2.73Å; E1010-R1012 IonicContact OE2-NH2 2.71Å; E1010-R1012 PolarHBondContact OE2-NH2 3.43Å |
| 1013 | E | 56.6 | Low | 64.2 | Low | 110 Ų | 110 | 88.8 Ų | 88.8 | 51% | 0.514 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 137.1 | 176.9 | -66 | 172.4 | -169.7 | 0 | 0 | 111.9 | Y1003 R1033 | Y1003-E1013 HydrophobicContact CD1-CG 3.92Å; Y1003-E1013 HydrophobicContact CE1-CG 3.5Å; Y1003-E1013 VanDerWaalsContact CE1-CG 3.5Å; E1013-R1033 VanDerWaalsContact CD-NH1 3.27Å; E1013-R1033 IonicContact OE1-CZ 3.69Å; E1013-R1033 IonicContact OE1-NH1 2.84Å; E1013-R1033 PolarHBondContact OE1-NH1 3.26Å; E1013-R1033 IonicContact OE1-NH2 2.88Å; E1013-R1033 PolarHBondContact OE1-NH2 3.18Å; E1013-R1033 IonicContact OE2-CZ 3.99Å; E1013-R1033 IonicContact OE2-NH1 3.24Å; E1013-R1033 IonicContact OE2-NH2 2.81Å |
| 1014 | A | 58.3 | Low | 63.9 | Low | 56 Ų | 56 | 94.6 Ų | 94.6 | 46% | 0.463 | 53% | 0.533 | S | S | . | . | P | Polyproline II helix | trans | -81.1 | 119.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | G1002 T1004 | G1002-A1014 PolarHBondContact O-N 3.15Å; T1004-A1014 HydrophobicContact CG2-CB 3.93Å |
| 1015 | E | 41.3 | Very low | 64.3 | Low | 201 Ų | 201 | 92.4 Ų | 92.4 | 94% | 0.939 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -69.6 | 143.6 | -177.9 | -69.6 | -159.4 | 175.2 | 0 | 0 | 113.9 | ||
| 1016 | G | 45.4 | Very low | 64.3 | Low | 79 Ų | 79 | 91.9 Ų | 91.9 | 81% | 0.814 | 51% | 0.505 | S | S | * | . | S | Bend | trans | 124.2 | -2.1 | 153.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||
| 1017 | V | 34.7 | Very low | 64.5 | Low | 117 Ų | 117 | 95.1 Ų | 95.1 | 71% | 0.709 | 52% | 0.517 | S | S | * | . | trans | -117.1 | 128.6 | 178.8 | -169.4 | 0 | 0 | 0 | 0 | 110.7 | L1019 | V1017-L1019 HydrophobicContact CB-CD1 3.88Å; V1017-L1019 HydrophobicContact CG1-CD1 3.69Å; V1017-L1019 HydrophobicContact CG1-CG 3.79Å | ||
| 1018 | N | 43.9 | Very low | 64.8 | Low | 142 Ų | 142 | 99.7 Ų | 99.7 | 76% | 0.759 | 54% | 0.535 | S | S | * | . | trans | -104.1 | 93.9 | 174.1 | -179.3 | -1.3 | 0 | 0 | 0 | 109.3 | ||||
| 1019 | L | 52.7 | Low | 64.8 | Low | 101 Ų | 101 | 95.9 Ų | 95.9 | 53% | 0.529 | 52% | 0.523 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -17.1 | -167.4 | -65.4 | 89.4 | 0 | 0 | 0 | 114.9 | V1017 G1021 R1033 | V1017-L1019 HydrophobicContact CB-CD1 3.88Å; V1017-L1019 HydrophobicContact CG1-CD1 3.69Å; V1017-L1019 HydrophobicContact CG1-CG 3.79Å; L1019-G1021 VanDerWaalsContact C-N 3.27Å; L1019-G1021 PolarHBondContact O-N 3.04Å; L1019-R1033 WeakPolarHBondContact CB-O 3.44Å |
| 1020 | C | 65.1 | Low | 64.8 | Low | 37 Ų | 37 | 93.6 Ų | 93.6 | 25% | 0.25 | 51% | 0.514 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -3.5 | -176.5 | -75.6 | 0 | 0 | 0 | 0 | 114.9 | N1022 V1023 C1031 G1034 | C1020-N1022 PolarHBondContact O-N 3.16Å; C1020-V1023 PolarHBondContact O-N 3.39Å; C1020-V1023 VanDerWaalsContact O-N 3.11Å; C1020-C1031 VanDerWaalsContact CA-SG 3.57Å; C1020-C1031 HydrophobicContact CB-CB 4.03Å; C1020-C1031 WeakPolarHBondContact CB-SG 3.25Å; C1020-C1031 WeakPolarHBondContact SG-CB 3.42Å; C1020-C1031 CovalentContact SG-SG 2.05Å; C1020-C1031 PolarHBondContact SG-SG 3.35Å; C1020-G1034 PolarHBondContact SG-N 2.96Å |
| 1021 | G | 56.4 | Low | 65.3 | Low | 59 Ų | 59 | 91.4 Ų | 91.4 | 61% | 0.608 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -24.5 | -162 | 0 | 0 | 0 | 0 | 0 | 117.5 | L1019 | L1019-G1021 VanDerWaalsContact C-N 3.27Å; L1019-G1021 PolarHBondContact O-N 3.04Å |
| 1022 | N | 60.8 | Low | 64.9 | Low | 167 Ų | 167 | 94.6 Ų | 94.6 | 89% | 0.893 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.4 | 12.9 | 177.8 | -65.3 | -40.2 | 0 | 0 | 0 | 112.9 | C1020 Q1024 | C1020-N1022 PolarHBondContact O-N 3.16Å; N1022-Q1024 PolarHBondContact O-N 3.01Å |
| 1023 | V | 66.4 | Low | 64.6 | Low | 46 Ų | 46 | 93.2 Ų | 93.2 | 28% | 0.279 | 52% | 0.519 | S | S | . | . | trans | -89.4 | 108.6 | -172.5 | 174.6 | 0 | 0 | 0 | 0 | 109.3 | C1020 C1036 Y1047 | C1020-V1023 PolarHBondContact O-N 3.39Å; C1020-V1023 VanDerWaalsContact O-N 3.11Å; V1023-C1036 WeakPolarHBondContact CG1-SG 3.35Å; V1023-Y1047 HydrophobicContact CG1-CD1 4.29Å; V1023-Y1047 HydrophobicContact CG1-CE1 3.68Å | ||
| 1024 | Q | 73.2 | Confident | 65.1 | Low | 179 Ų | 179 | 88.6 Ų | 88.6 | 84% | 0.836 | 50% | 0.501 | S | S | * | . | trans | -83.7 | 127.3 | 167.6 | -68.8 | -154.5 | -47.7 | 0 | 0 | 109.5 | N1022 | N1022-Q1024 PolarHBondContact O-N 3.01Š| ||
| 1025 | C | 78.8 | Confident | 66 | Low | 36 Ų | 36 | 92.4 Ų | 92.4 | 24% | 0.243 | 51% | 0.509 | C | S | . | . | trans | -107 | 158.3 | 176 | -59.2 | 0 | 0 | 0 | 0 | 110.8 | A1029 C1031 C1036 G1046 Y1047 | C1025-A1029 HydrophobicContact CB-CB 4Å; C1025-C1031 VanDerWaalsContact SG-CB 3.59Å; C1025-C1036 WeakPolarHBondContact CA-SG 3.16Å; C1025-C1036 HydrophobicContact CB-CB 3.67Å; C1025-C1036 WeakPolarHBondContact CB-SG 3.3Å; C1025-C1036 WeakPolarHBondContact SG-CB 3.36Å; C1025-C1036 CovalentContact SG-SG 2.03Å; C1025-C1036 PolarHBondContact SG-SG 3.28Å; C1025-G1046 CarbonylContact C-O 3.53Å; C1025-G1046 WeakPolarHBondContact CA-O 3.47Å; C1025-G1046 WeakPolarHBondContact CB-O 3.49Å; C1025-Y1047 CarbonylContact C-O 3.44Å | ||
| 1026 | H | 84.2 | Confident | 68.1 | Low | 40 Ų | 40 | 83 Ų | 83 | 19% | 0.185 | 47% | 0.466 | C | S | . | . | trans | -59.2 | 155.8 | 172.5 | -176.9 | -120.2 | 0 | 0 | 0 | 111.4 | Y1028 A1029 G1046 Y1047 S1048 C1050 | H1026-Y1028 AromaticContact CE1-CD2 3.85Å; H1026-Y1028 PolarHBondContact O-N 2.91Å; H1026-A1029 HydrophobicContact CB-CB 4.13Å; H1026-A1029 WeakPolarHBondContact O-CB 3.28Å; H1026-A1029 PolarHBondContact O-N 3.35Å; H1026-G1046 WeakPolarHBondContact CB-O 3.49Å; H1026-G1046 PolarHBondContact N-O 2.72Å; H1026-Y1047 PolarHBondContact N-O 3.42Å; H1026-S1048 PolarHBondContact CD2-O 3.43Å; H1026-C1050 PolarHBondContact CE1-N 3.25Å; H1026-C1050 VanDerWaalsContact ND1-CB 3.31Å; H1026-C1050 WeakPolarHBondContact ND1-CB 3.47Å; H1026-C1050 PolarHBondContact ND1-N 3.38Å; H1026-C1050 VanDerWaalsContact ND1-N 3.16Å | ||
| 1027 | Q | 81 | Confident | 69.8 | Low | 149 Ų | 149 | 88.1 Ų | 88.1 | 70% | 0.696 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -27.2 | -174 | 63.8 | 178.8 | -7.6 | 0 | 0 | 114.2 | ||
| 1028 | Y | 83 | Confident | 72.1 | Confident | 95 Ų | 95 | 83.4 Ų | 83.4 | 37% | 0.373 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 30.6 | 173.6 | -55.3 | -53.6 | 0 | 0 | 0 | 111.8 | H1026 C1038 V1039 Y1042 C1050 | H1026-Y1028 AromaticContact CE1-CD2 3.85Å; H1026-Y1028 PolarHBondContact O-N 2.91Å; Y1028-C1038 CarbonylContact O-C 3.58Å; Y1028-C1038 WeakPolarHBondContact O-CA 3.25Å; Y1028-V1039 WeakPolarHBondContact O-CG2 3.48Å; Y1028-V1039 PolarHBondContact O-N 3.33Å; Y1028-Y1042 AromaticContact CD2-CD1 3.99Å; Y1028-Y1042 HydrophobicContact CD2-CD1 3.99Å; Y1028-Y1042 AromaticContact CD2-CE1 3.61Å; Y1028-Y1042 HydrophobicContact CD2-CE1 3.61Å; Y1028-Y1042 AromaticContact CE2-CE1 3.93Å; Y1028-Y1042 HydrophobicContact CE2-CE1 3.93Å; Y1028-Y1042 HydrophobicContact CG-CD1 4.27Å; Y1028-Y1042 HydrophobicContact CG-CE1 4.02Å; Y1028-Y1042 HydrophobicContact CG-CE2 4.47Å; Y1028-C1050 PolarHBondContact O-SG 2.76Å |
| 1029 | A | 82.4 | Confident | 73.9 | Confident | 14 Ų | 14 | 79.3 Ų | 79.3 | 12% | 0.116 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 161.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | C1025 H1026 C1036 R1037 G1046 | C1025-A1029 HydrophobicContact CB-CB 4Å; H1026-A1029 HydrophobicContact CB-CB 4.13Å; H1026-A1029 WeakPolarHBondContact O-CB 3.28Å; H1026-A1029 PolarHBondContact O-N 3.35Å; A1029-C1036 HydrophobicContact CB-CB 4.41Å; A1029-R1037 CarbonylContact C-O 3.44Å; A1029-R1037 WeakPolarHBondContact CA-O 3.49Å; A1029-R1037 WeakPolarHBondContact CB-O 3.41Å; A1029-G1046 WeakPolarHBondContact CB-O 2.85Å |
| 1030 | T | 79.9 | Confident | 74.8 | Confident | 87 Ų | 87 | 81.7 Ų | 81.7 | 53% | 0.534 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 135.6 | 174.7 | -81.3 | 0 | 0 | 0 | 0 | 109.1 | D1032 C1036 R1037 | T1030-D1032 PolarHBondContact O-N 2.79Å; T1030-C1036 WeakPolarHBondContact O-CA 3.39Å; T1030-R1037 PolarHBondContact N-O 3.26Å; T1030-R1037 PolarHBondContact O-N 2.96Å |
| 1031 | C | 79.2 | Confident | 74.4 | Confident | 37 Ų | 37 | 82.7 Ų | 82.7 | 25% | 0.25 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 111.5 | 169.9 | -169.3 | 0 | 0 | 0 | 0 | 109.4 | C1020 C1025 | C1020-C1031 VanDerWaalsContact CA-SG 3.57Å; C1020-C1031 HydrophobicContact CB-CB 4.03Å; C1020-C1031 WeakPolarHBondContact CB-SG 3.25Å; C1020-C1031 WeakPolarHBondContact SG-CB 3.42Å; C1020-C1031 CovalentContact SG-SG 2.05Å; C1020-C1031 PolarHBondContact SG-SG 3.35Å; C1025-C1031 VanDerWaalsContact SG-CB 3.59Å |
| 1032 | D | 70.3 | Confident | 75.2 | Confident | 80 Ų | 80 | 83.7 Ų | 83.7 | 43% | 0.428 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 121.1 | 165.9 | -174 | 25.5 | 0 | 0 | 0 | 108.3 | T1030 G1034 Q1035 | T1030-D1032 PolarHBondContact O-N 2.79Å; D1032-G1034 PolarHBondContact O-N 2.7Å; D1032-Q1035 PolarHBondContact N-O 3.46Å; D1032-Q1035 PolarHBondContact O-N 3.44Å |
| 1033 | R | 63.2 | Low | 75.5 | Confident | 126 Ų | 126 | 80.9 Ų | 80.9 | 48% | 0.475 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 31.8 | 175.7 | -54.1 | 136 | -169.8 | -114 | -14.5 | 115.6 | Y1003 E1013 L1019 | Y1003-R1033 PolarHBondContact OH-NH1 3.04Å; E1013-R1033 VanDerWaalsContact CD-NH1 3.27Å; E1013-R1033 IonicContact OE1-CZ 3.69Å; E1013-R1033 IonicContact OE1-NH1 2.84Å; E1013-R1033 PolarHBondContact OE1-NH1 3.26Å; E1013-R1033 IonicContact OE1-NH2 2.88Å; E1013-R1033 PolarHBondContact OE1-NH2 3.18Å; E1013-R1033 IonicContact OE2-CZ 3.99Å; E1013-R1033 IonicContact OE2-NH1 3.24Å; E1013-R1033 IonicContact OE2-NH2 2.81Å; L1019-R1033 WeakPolarHBondContact CB-O 3.44Å |
| 1034 | G | 67.2 | Low | 76.1 | Confident | 13 Ų | 13 | 80.3 Ų | 80.3 | 13% | 0.134 | 42% | 0.422 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 93.5 | -3.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | C1020 D1032 Y1047 | C1020-G1034 PolarHBondContact SG-N 2.96Å; D1032-G1034 PolarHBondContact O-N 2.7Å; G1034-Y1047 PolarHBondContact O-OH 2.9Å |
| 1035 | Q | 76.2 | Confident | 76.1 | Confident | 135 Ų | 135 | 75.4 Ų | 75.4 | 63% | 0.631 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 134 | 177.2 | -154 | 167.1 | 11.4 | 0 | 0 | 109.6 | D1032 Y1047 | D1032-Q1035 PolarHBondContact N-O 3.46Å; D1032-Q1035 PolarHBondContact O-N 3.44Å; Q1035-Y1047 WeakPolarHBondContact CA-OH 3.17Å; Q1035-Y1047 HydrophobicContact CG-CE2 4.44Å |
| 1036 | C | 85 | Confident | 76.2 | Confident | 5 Ų | 5 | 73.7 Ų | 73.7 | 3% | 0.034 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 134.9 | 175.7 | -59 | 0 | 0 | 0 | 0 | 109.7 | V1023 C1025 A1029 T1030 G1046 Y1047 | V1023-C1036 WeakPolarHBondContact CG1-SG 3.35Å; C1025-C1036 WeakPolarHBondContact CA-SG 3.16Å; C1025-C1036 HydrophobicContact CB-CB 3.67Å; C1025-C1036 WeakPolarHBondContact CB-SG 3.3Å; C1025-C1036 WeakPolarHBondContact SG-CB 3.36Å; C1025-C1036 CovalentContact SG-SG 2.03Å; C1025-C1036 PolarHBondContact SG-SG 3.28Å; A1029-C1036 HydrophobicContact CB-CB 4.41Å; T1030-C1036 WeakPolarHBondContact O-CA 3.39Å; C1036-G1046 WeakPolarHBondContact CB-O 3.49Å; C1036-Y1047 HydrophobicContact CB-CD1 4.2Å; C1036-Y1047 HydrophobicContact CB-CD2 4.09Å; C1036-Y1047 HydrophobicContact CB-CE1 4.28Å; C1036-Y1047 HydrophobicContact CB-CE2 4.14Å; C1036-Y1047 HydrophobicContact CB-CG 4.12Å; C1036-Y1047 WeakPolarHBondContact SG-CD1 3.32Å; C1036-Y1047 VanDerWaalsContact SG-CE1 3.54Å |
| 1037 | R | 82.2 | Confident | 76.1 | Confident | 185 Ų | 185 | 76.7 Ų | 76.7 | 70% | 0.698 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 133.2 | 174.4 | -114.1 | -173.7 | 78.2 | 166.9 | 9.1 | 110.4 | A1029 T1030 | A1029-R1037 CarbonylContact C-O 3.44Å; A1029-R1037 WeakPolarHBondContact CA-O 3.49Å; A1029-R1037 WeakPolarHBondContact CB-O 3.41Å; T1030-R1037 PolarHBondContact N-O 3.26Å; T1030-R1037 PolarHBondContact O-N 2.96Å |
| 1038 | C | 82.1 | Confident | 75.9 | Confident | 18 Ų | 18 | 73.9 Ų | 73.9 | 12% | 0.122 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 143 | 173.8 | -63.5 | 0 | 0 | 0 | 0 | 112 | Y1028 Y1042 G1044 D1049 C1050 | Y1028-C1038 CarbonylContact O-C 3.58Å; Y1028-C1038 WeakPolarHBondContact O-CA 3.25Å; C1038-Y1042 WeakPolarHBondContact CB-O 3.19Å; C1038-G1044 PolarHBondContact SG-O 3.18Å; C1038-G1044 VanDerWaalsContact SG-O 3.41Å; C1038-D1049 PolarHBondContact SG-O 2.87Å; C1038-C1050 WeakPolarHBondContact CA-SG 3.44Å; C1038-C1050 HydrophobicContact CB-CB 3.79Å; C1038-C1050 WeakPolarHBondContact CB-SG 3.4Å; C1038-C1050 WeakPolarHBondContact SG-CA 3.38Å; C1038-C1050 WeakPolarHBondContact SG-CB 3.2Å; C1038-C1050 CovalentContact SG-SG 2.04Å; C1038-C1050 PolarHBondContact SG-SG 2.98Å |
| 1039 | V | 81.6 | Confident | 74.7 | Confident | 57 Ų | 57 | 70.8 Ų | 70.8 | 35% | 0.345 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -71 | 150.8 | 175.1 | -58.9 | 0 | 0 | 0 | 0 | 109.9 | Y1028 G1041 Y1042 | Y1028-V1039 WeakPolarHBondContact O-CG2 3.48Å; Y1028-V1039 PolarHBondContact O-N 3.33Å; V1039-G1041 PolarHBondContact O-N 3.25Å; V1039-Y1042 HydrophobicContact CG2-CD2 3.83Å; V1039-Y1042 HydrophobicContact CG2-CE2 4.34Å; V1039-Y1042 PolarHBondContact O-N 2.88Å |
| 1040 | T | 72 | Confident | 74.2 | Confident | 151 Ų | 151 | 70.4 Ų | 70.4 | 93% | 0.926 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | 130.3 | -176 | -33 | 0 | 0 | 0 | 0 | 112.1 | ||
| 1041 | G | 58.2 | Low | 73.5 | Confident | 58 Ų | 58 | 71.9 Ų | 71.9 | 60% | 0.598 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.4 | -8.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114 | V1039 | V1039-G1041 PolarHBondContact O-N 3.25Š|
| 1042 | Y | 73.3 | Confident | 72.5 | Confident | 79 Ų | 79 | 74.1 Ų | 74.1 | 31% | 0.31 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 148.1 | 172 | -61 | -106.1 | 0 | 0 | 0 | 110.4 | Y1028 C1038 V1039 C1050 R1051 P1052 | Y1028-Y1042 AromaticContact CD2-CD1 3.99Å; Y1028-Y1042 HydrophobicContact CD2-CD1 3.99Å; Y1028-Y1042 AromaticContact CD2-CE1 3.61Å; Y1028-Y1042 HydrophobicContact CD2-CE1 3.61Å; Y1028-Y1042 AromaticContact CE2-CE1 3.93Å; Y1028-Y1042 HydrophobicContact CE2-CE1 3.93Å; Y1028-Y1042 HydrophobicContact CG-CD1 4.27Å; Y1028-Y1042 HydrophobicContact CG-CE1 4.02Å; Y1028-Y1042 HydrophobicContact CG-CE2 4.47Å; C1038-Y1042 WeakPolarHBondContact CB-O 3.19Å; V1039-Y1042 HydrophobicContact CG2-CD2 3.83Å; V1039-Y1042 HydrophobicContact CG2-CE2 4.34Å; V1039-Y1042 PolarHBondContact O-N 2.88Å; Y1042-C1050 HydrophobicContact CD1-CB 4.39Å; Y1042-C1050 WeakPolarHBondContact CD1-O 3.27Å; Y1042-C1050 HydrophobicContact CG-CB 4.46Å; Y1042-R1051 CarbonylContact C-O 3.44Å; Y1042-R1051 WeakPolarHBondContact CA-O 3.45Å; Y1042-P1052 HydrophobicContact CD1-CG 4.38Å; Y1042-P1052 HydrophobicContact CE1-CG 4.12Å |
| 1043 | D | 66.3 | Low | 71.4 | Confident | 109 Ų | 109 | 74.4 Ų | 74.4 | 58% | 0.583 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 158.7 | 168.5 | -167.3 | 19.7 | 0 | 0 | 0 | 109.9 | C1050 R1051 V1053 | D1043-C1050 CarbonylContact O-C 3.48Å; D1043-C1050 WeakPolarHBondContact O-CA 3.4Å; D1043-R1051 PolarHBondContact N-O 2.67Å; D1043-R1051 PolarHBondContact O-N 3.3Å; D1043-V1053 HydrophobicContact CB-CG2 3.49Å; D1043-V1053 VanDerWaalsContact CB-CG2 3.49Å |
| 1044 | G | 78.6 | Confident | 70.8 | Confident | 34 Ų | 34 | 74.7 Ų | 74.7 | 35% | 0.351 | 41% | 0.414 | S | S | . | . | S | Bend | trans | 143.2 | 179.9 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | C1038 G1046 D1049 | C1038-G1044 PolarHBondContact SG-O 3.18Å; C1038-G1044 VanDerWaalsContact SG-O 3.41Å; G1044-G1046 PolarHBondContact O-N 2.97Å; G1044-D1049 CarbonylContact C-O 3.41Å |
| 1045 | D | 73.7 | Confident | 69.5 | Low | 76 Ų | 76 | 81.1 Ų | 81.1 | 41% | 0.406 | 44% | 0.441 | S | S | . | . | trans | -68.2 | -19.6 | -173.7 | 74.6 | 13.7 | 0 | 0 | 0 | 114.4 | Y1047 S1048 D1049 | D1045-Y1047 VanDerWaalsContact O-CD2 3.22Å; D1045-Y1047 WeakPolarHBondContact O-CD2 3.24Å; D1045-Y1047 PolarHBondContact O-N 3.44Å; D1045-Y1047 WeakPolarHBondContact OD1-CA 3.37Å; D1045-Y1047 PolarHBondContact OD1-N 3.01Å; D1045-S1048 PolarHBondContact OD1-N 3.46Å; D1045-S1048 PolarHBondContact OD2-OG 2.84Å; D1045-D1049 PolarHBondContact N-O 3.14Å; D1045-D1049 VanDerWaalsContact N-O 3.16Å; D1045-D1049 PolarHBondContact OD1-N 3.48Å | ||
| 1046 | G | 81.2 | Confident | 68.1 | Low | 0 Ų | 0 | 79.7 Ų | 79.7 | 0% | 0 | 44% | 0.437 | C | S | . | . | S | Bend | trans | 75.5 | -15.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | C1025 H1026 A1029 C1036 G1044 D1049 | C1025-G1046 CarbonylContact C-O 3.53Å; C1025-G1046 WeakPolarHBondContact CA-O 3.47Å; C1025-G1046 WeakPolarHBondContact CB-O 3.49Å; H1026-G1046 WeakPolarHBondContact CB-O 3.49Å; H1026-G1046 PolarHBondContact N-O 2.72Å; A1029-G1046 WeakPolarHBondContact CB-O 2.85Å; C1036-G1046 WeakPolarHBondContact CB-O 3.49Å; G1044-G1046 PolarHBondContact O-N 2.97Å; G1046-D1049 PolarHBondContact N-O 2.97Å |
| 1047 | Y | 81.4 | Confident | 66.4 | Low | 102 Ų | 102 | 84.3 Ų | 84.3 | 40% | 0.4 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -89.9 | -48.6 | -178.1 | -70.7 | -87.8 | 0 | 0 | 0 | 112.3 | V1023 C1025 H1026 G1034 Q1035 C1036 D1045 | V1023-Y1047 HydrophobicContact CG1-CD1 4.29Å; V1023-Y1047 HydrophobicContact CG1-CE1 3.68Å; C1025-Y1047 CarbonylContact C-O 3.44Å; H1026-Y1047 PolarHBondContact N-O 3.42Å; G1034-Y1047 PolarHBondContact O-OH 2.9Å; Q1035-Y1047 WeakPolarHBondContact CA-OH 3.17Å; Q1035-Y1047 HydrophobicContact CG-CE2 4.44Å; C1036-Y1047 HydrophobicContact CB-CD1 4.2Å; C1036-Y1047 HydrophobicContact CB-CD2 4.09Å; C1036-Y1047 HydrophobicContact CB-CE1 4.28Å; C1036-Y1047 HydrophobicContact CB-CE2 4.14Å; C1036-Y1047 HydrophobicContact CB-CG 4.12Å; C1036-Y1047 WeakPolarHBondContact SG-CD1 3.32Å; C1036-Y1047 VanDerWaalsContact SG-CE1 3.54Å; D1045-Y1047 VanDerWaalsContact O-CD2 3.22Å; D1045-Y1047 WeakPolarHBondContact O-CD2 3.24Å; D1045-Y1047 PolarHBondContact O-N 3.44Å; D1045-Y1047 WeakPolarHBondContact OD1-CA 3.37Å; D1045-Y1047 PolarHBondContact OD1-N 3.01Å |
| 1048 | S | 77.1 | Confident | 65.4 | Low | 90 Ų | 90 | 76.6 Ų | 76.6 | 63% | 0.629 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -123.9 | -14.7 | 177.2 | 24.7 | 0 | 0 | 0 | 0 | 112.7 | H1026 D1045 | H1026-S1048 PolarHBondContact CD2-O 3.43Å; D1045-S1048 PolarHBondContact OD1-N 3.46Å; D1045-S1048 PolarHBondContact OD2-OG 2.84Å |
| 1049 | D | 57 | Low | 64.3 | Low | 31 Ų | 31 | 80.1 Ų | 80.1 | 17% | 0.166 | 46% | 0.456 | C | S | . | . | trans | -137.1 | 131.4 | -168.1 | -165 | 5 | 0 | 0 | 0 | 112.8 | C1038 G1044 D1045 G1046 R1051 | C1038-D1049 PolarHBondContact SG-O 2.87Å; G1044-D1049 CarbonylContact C-O 3.41Å; D1045-D1049 PolarHBondContact N-O 3.14Å; D1045-D1049 VanDerWaalsContact N-O 3.16Å; D1045-D1049 PolarHBondContact OD1-N 3.48Å; G1046-D1049 PolarHBondContact N-O 2.97Å; D1049-R1051 WeakPolarHBondContact OD1-CG 3.5Å; D1049-R1051 IonicContact OD1-CZ 2.66Å; D1049-R1051 IonicContact OD1-NE 3.61Å; D1049-R1051 PolarHBondContact OD1-NE 3.05Å; D1049-R1051 IonicContact OD1-NH2 3.42Å; D1049-R1051 IonicContact OD2-CZ 2.82Å; D1049-R1051 VanDerWaalsContact OD2-CZ 3.24Å; D1049-R1051 IonicContact OD2-NE 3.77Å; D1049-R1051 PolarHBondContact OD2-NE 3.13Å; D1049-R1051 IonicContact OD2-NH2 3.9Å; D1049-R1051 PolarHBondContact OD2-NH2 3.14Å | ||
| 1050 | C | 71.9 | Confident | 62.7 | Low | 6 Ų | 6 | 83.2 Ų | 83.2 | 4% | 0.041 | 46% | 0.461 | C | S | . | . | trans | -155.3 | 116.7 | 162.4 | -66.1 | 0 | 0 | 0 | 0 | 107.7 | H1026 Y1028 C1038 Y1042 D1043 | H1026-C1050 PolarHBondContact CE1-N 3.25Å; H1026-C1050 VanDerWaalsContact ND1-CB 3.31Å; H1026-C1050 WeakPolarHBondContact ND1-CB 3.47Å; H1026-C1050 PolarHBondContact ND1-N 3.38Å; H1026-C1050 VanDerWaalsContact ND1-N 3.16Å; Y1028-C1050 PolarHBondContact O-SG 2.76Å; C1038-C1050 WeakPolarHBondContact CA-SG 3.44Å; C1038-C1050 HydrophobicContact CB-CB 3.79Å; C1038-C1050 WeakPolarHBondContact CB-SG 3.4Å; C1038-C1050 WeakPolarHBondContact SG-CA 3.38Å; C1038-C1050 WeakPolarHBondContact SG-CB 3.2Å; C1038-C1050 CovalentContact SG-SG 2.04Å; C1038-C1050 PolarHBondContact SG-SG 2.98Å; Y1042-C1050 HydrophobicContact CD1-CB 4.39Å; Y1042-C1050 WeakPolarHBondContact CD1-O 3.27Å; Y1042-C1050 HydrophobicContact CG-CB 4.46Å; D1043-C1050 CarbonylContact O-C 3.48Å; D1043-C1050 WeakPolarHBondContact O-CA 3.4Å | ||
| 1051 | R | 65.7 | Low | 61.7 | Low | 117 Ų | 117 | 78 Ų | 78 | 44% | 0.442 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 156.6 | -177 | -36.2 | -171.3 | -165.2 | -162.3 | 6.1 | 110.6 | Y1042 D1043 D1049 V1053 | Y1042-R1051 CarbonylContact C-O 3.44Å; Y1042-R1051 WeakPolarHBondContact CA-O 3.45Å; D1043-R1051 PolarHBondContact N-O 2.67Å; D1043-R1051 PolarHBondContact O-N 3.3Å; D1049-R1051 WeakPolarHBondContact OD1-CG 3.5Å; D1049-R1051 IonicContact OD1-CZ 2.66Å; D1049-R1051 IonicContact OD1-NE 3.61Å; D1049-R1051 PolarHBondContact OD1-NE 3.05Å; D1049-R1051 IonicContact OD1-NH2 3.42Å; D1049-R1051 IonicContact OD2-CZ 2.82Å; D1049-R1051 VanDerWaalsContact OD2-CZ 3.24Å; D1049-R1051 IonicContact OD2-NE 3.77Å; D1049-R1051 PolarHBondContact OD2-NE 3.13Å; D1049-R1051 IonicContact OD2-NH2 3.9Å; D1049-R1051 PolarHBondContact OD2-NH2 3.14Å; R1051-V1053 PolarHBondContact O-N 3.38Å |
| 1052 | P | 57.9 | Low | 61.9 | Low | 84 Ų | 84 | 84.8 Ų | 84.8 | 55% | 0.545 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 133.8 | 172.4 | -20.9 | 33.7 | 0 | 0 | 0 | 111.7 | Y1042 T1054 | Y1042-P1052 HydrophobicContact CD1-CG 4.38Å; Y1042-P1052 HydrophobicContact CE1-CG 4.12Å; P1052-T1054 PolarHBondContact O-N 2.88Å |
| 1053 | V | 48.7 | Very low | 61.5 | Low | 87 Ų | 87 | 82.7 Ų | 82.7 | 53% | 0.527 | 43% | 0.433 | S | S | . | . | trans | -68.1 | 119.5 | -180 | 180 | 0 | 0 | 0 | 0 | 110.8 | D1043 R1051 | D1043-V1053 HydrophobicContact CB-CG2 3.49Å; D1043-V1053 VanDerWaalsContact CB-CG2 3.49Å; R1051-V1053 PolarHBondContact O-N 3.38Å | ||
| 1054 | T | 50.3 | Low | 61.6 | Low | 132 Ų | 132 | 79 Ų | 79 | 81% | 0.81 | 41% | 0.412 | S | S | * | . | trans | -146.8 | 125 | 172.7 | 48.2 | 0 | 0 | 0 | 0 | 109.5 | P1052 | P1052-T1054 PolarHBondContact O-N 2.88Š| ||
| 1055 | E | 38.4 | Very low | 61.1 | Low | 148 Ų | 148 | 82.3 Ų | 82.3 | 69% | 0.692 | 43% | 0.428 | S | S | * | . | trans | -129.6 | 129.5 | -168.6 | -71.6 | -168.8 | 105.2 | 0 | 0 | 114.2 | K1057 | E1055-K1057 WeakPolarHBondContact OE1-CE 3.04Å; E1055-K1057 IonicContact OE1-NZ 3.81Å; E1055-K1057 PolarHBondContact OE1-NZ 2.95Å | ||
| 1056 | D | 47.7 | Very low | 60.6 | Low | 105 Ų | 105 | 80.6 Ų | 80.6 | 56% | 0.561 | 42% | 0.418 | S | S | * | . | trans | -147.3 | 141.4 | 149.7 | 177.1 | 17 | 0 | 0 | 0 | 108.8 | C1058 S1059 | D1056-C1058 PolarHBondContact OD1-N 2.88Å; D1056-S1059 PolarHBondContact OD2-OG 2.93Å | ||
| 1057 | K | 50.2 | Low | 59.7 | Low | 101 Ų | 101 | 81.1 Ų | 81.1 | 44% | 0.439 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -111.1 | -8.9 | -172.4 | -69 | 168.4 | -174.9 | 152.2 | 0 | 113.8 | E1055 | E1055-K1057 WeakPolarHBondContact OE1-CE 3.04Å; E1055-K1057 IonicContact OE1-NZ 3.81Å; E1055-K1057 PolarHBondContact OE1-NZ 2.95Å |
| 1058 | C | 61 | Low | 58.7 | Low | 24 Ų | 24 | 77.4 Ų | 77.4 | 16% | 0.162 | 41% | 0.409 | C | S | . | . | trans | -80.1 | -23.8 | -177.6 | -64 | 0 | 0 | 0 | 0 | 114.2 | D1056 R1060 V1061 D1071 | D1056-C1058 PolarHBondContact OD1-N 2.88Å; C1058-R1060 PolarHBondContact O-N 3.41Å; C1058-V1061 PolarHBondContact O-N 2.02Å; C1058-V1061 VanDerWaalsContact O-N 3.11Å; C1058-D1071 VanDerWaalsContact SG-CA 3.59Å; C1058-D1071 PolarHBondContact SG-N 3.32Å | ||
| 1059 | S | 57.9 | Low | 58.1 | Low | 91 Ų | 91 | 74.4 Ų | 74.4 | 64% | 0.636 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | 7.8 | -165.3 | -50.6 | 0 | 0 | 0 | 0 | 117.6 | D1056 | D1056-S1059 PolarHBondContact OD2-OG 2.93Š|
| 1060 | R | 48.8 | Very low | 57.8 | Low | 122 Ų | 122 | 74.4 Ų | 74.4 | 46% | 0.46 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133.9 | 3.7 | 178.7 | -59.5 | -177.2 | -169.2 | 154 | 4.9 | 114.2 | A944 C1058 | A944-R1060 PolarHBondContact O-NH1 2.87Å; C1058-R1060 PolarHBondContact O-N 3.41Å |
| 1061 | V | 50.6 | Low | 56.8 | Low | 41 Ų | 41 | 78.5 Ų | 78.5 | 25% | 0.248 | 41% | 0.41 | C | S | . | . | trans | -104.8 | 132.8 | -174.9 | 177.4 | 0 | 0 | 0 | 0 | 110.7 | C1058 G1072 Y1085 | C1058-V1061 PolarHBondContact O-N 2.02Å; C1058-V1061 VanDerWaalsContact O-N 3.11Å; V1061-G1072 WeakPolarHBondContact CG1-O 3.4Å; V1061-G1072 WeakPolarHBondContact CG2-O 3.29Å; V1061-Y1085 HydrophobicContact CG1-CE1 4.41Å | ||
| 1062 | R | 61.4 | Low | 56.5 | Low | 202 Ų | 202 | 73.2 Ų | 73.2 | 76% | 0.762 | 39% | 0.393 | S | S | * | . | trans | -114.6 | 128.3 | 176.5 | -68.1 | -166.1 | -175.5 | -165 | 7.9 | 110.6 | D801 | D801-R1062 IonicContact OD2-NH2 3.63Š| ||
| 1063 | C | 66.5 | Low | 56.4 | Low | 35 Ų | 35 | 72.1 Ų | 72.1 | 24% | 0.236 | 38% | 0.378 | C | S | . | . | trans | -107.8 | 175.7 | -179.4 | -53.1 | 0 | 0 | 0 | 0 | 111.8 | A1067 C1069 C1074 G1084 Y1085 | C1063-A1067 HydrophobicContact CB-CB 4.27Å; C1063-C1069 VanDerWaalsContact SG-CA 3.51Å; C1063-C1069 WeakPolarHBondContact SG-CB 3.1Å; C1063-C1069 PolarHBondContact SG-N 3.01Å; C1063-C1069 VanDerWaalsContact SG-N 3.41Å; C1063-C1074 WeakPolarHBondContact CA-SG 3.03Å; C1063-C1074 HydrophobicContact CB-CB 3.55Å; C1063-C1074 WeakPolarHBondContact CB-SG 3.44Å; C1063-C1074 VanDerWaalsContact SG-CA 3.54Å; C1063-C1074 WeakPolarHBondContact SG-CB 3Å; C1063-C1074 CovalentContact SG-SG 2.02Å; C1063-C1074 PolarHBondContact SG-SG 2.91Å; C1063-G1084 WeakPolarHBondContact CB-O 3.12Å; C1063-Y1085 CarbonylContact C-O 3.54Å | ||
| 1064 | H | 67.1 | Low | 57.7 | Low | 30 Ų | 30 | 68 Ų | 68 | 14% | 0.139 | 35% | 0.354 | C | S | . | . | trans | -65.1 | 150 | 167.5 | -172.7 | -109.6 | 0 | 0 | 0 | 110.2 | D1066 A1067 G1084 Y1085 Y1086 E1087 C1088 | H1064-D1066 IonicContact CE1-OD2 2.83Å; H1064-D1066 PolarHBondContact CE1-OD2 3.32Å; H1064-D1066 VanDerWaalsContact CE1-OD2 3.29Å; H1064-D1066 PolarHBondContact ND1-N 2.81Å; H1064-D1066 IonicContact ND1-OD2 3.27Å; H1064-D1066 PolarHBondContact O-N 3.41Å; H1064-A1067 HydrophobicContact CB-CB 3.82Å; H1064-A1067 WeakPolarHBondContact O-CA 3.37Å; H1064-A1067 WeakPolarHBondContact O-CB 3.42Å; H1064-A1067 PolarHBondContact O-N 2.74Å; H1064-A1067 VanDerWaalsContact O-O 3.12Å; H1064-G1084 PolarHBondContact N-O 2.94Å; H1064-Y1085 PolarHBondContact N-O 2.9Å; H1064-Y1086 VanDerWaalsContact CD2-C 3.4Å; H1064-Y1086 PolarHBondContact CD2-O 2.79Å; H1064-E1087 WeakPolarHBondContact CD2-CA 3.47Å; H1064-E1087 VanDerWaalsContact CG-CA 3.41Å; H1064-E1087 WeakPolarHBondContact NE2-CA 3.34Å; H1064-C1088 PolarHBondContact ND1-N 2.83Å | ||
| 1065 | P | 68.6 | Low | 58.5 | Low | 104 Ų | 104 | 66.4 Ų | 66.4 | 68% | 0.675 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -31.5 | 179 | -29 | 38.7 | 0 | 0 | 0 | 114.7 | K276 A1067 | K276-P1065 PolarHBondContact NZ-O 2.88Å; P1065-A1067 PolarHBondContact O-N 2.78Å |
| 1066 | D | 64.3 | Low | 59.6 | Low | 40 Ų | 40 | 60.3 Ų | 60.3 | 21% | 0.214 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -11.1 | 176.7 | -58.5 | -17.8 | 0 | 0 | 0 | 112.2 | K276 H1064 P1077 F1080 C1088 | K276-D1066 PolarHBondContact NZ-O 2.88Å; H1064-D1066 IonicContact CE1-OD2 2.83Å; H1064-D1066 PolarHBondContact CE1-OD2 3.32Å; H1064-D1066 VanDerWaalsContact CE1-OD2 3.29Å; H1064-D1066 PolarHBondContact ND1-N 2.81Å; H1064-D1066 IonicContact ND1-OD2 3.27Å; H1064-D1066 PolarHBondContact O-N 3.41Å; D1066-P1077 WeakPolarHBondContact O-CD 3.43Å; D1066-P1077 WeakPolarHBondContact O-CG 2.93Å; D1066-F1080 HydrophobicContact CB-CD1 4.33Å; D1066-F1080 HydrophobicContact CB-CE1 4.29Å; D1066-C1088 HydrophobicContact CB-CB 3.54Å |
| 1067 | A | 60.4 | Low | 60.1 | Low | 11 Ų | 11 | 55.6 Ų | 55.6 | 9% | 0.091 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -110.9 | 162.7 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | C1063 H1064 P1065 F1075 G1084 | C1063-A1067 HydrophobicContact CB-CB 4.27Å; H1064-A1067 HydrophobicContact CB-CB 3.82Å; H1064-A1067 WeakPolarHBondContact O-CA 3.37Å; H1064-A1067 WeakPolarHBondContact O-CB 3.42Å; H1064-A1067 PolarHBondContact O-N 2.74Å; H1064-A1067 VanDerWaalsContact O-O 3.12Å; P1065-A1067 PolarHBondContact O-N 2.78Å; A1067-F1075 CarbonylContact C-O 3.13Å; A1067-F1075 WeakPolarHBondContact CA-O 3.31Å; A1067-F1075 WeakPolarHBondContact CB-O 3.11Å; A1067-G1084 VanDerWaalsContact CB-C 3.49Å; A1067-G1084 WeakPolarHBondContact CB-O 3.38Å |
| 1068 | Q | 62.2 | Low | 60.2 | Low | 25 Ų | 25 | 53.5 Ų | 53.5 | 12% | 0.117 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 138.8 | -176.3 | -74.7 | -171.6 | -31.8 | 0 | 0 | 113.6 | L241 C1074 F1075 | L241-Q1068 HydrophobicContact CD2-CB 4.25Å; L241-Q1068 HydrophobicContact CD2-CG 4.05Å; Q1068-C1074 CarbonylContact O-C 3.21Å; Q1068-C1074 VanDerWaalsContact O-CA 3.31Å; Q1068-C1074 WeakPolarHBondContact O-CA 3.02Å; Q1068-F1075 PolarHBondContact N-O 2.88Å; Q1068-F1075 PolarHBondContact O-N 2.94Å |
| 1069 | C | 64 | Low | 59.9 | Low | 27 Ų | 27 | 53.2 Ų | 53.2 | 18% | 0.182 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 124.5 | 170.5 | -168.7 | 0 | 0 | 0 | 0 | 109.6 | C1063 Y1073 | C1063-C1069 VanDerWaalsContact SG-CA 3.51Å; C1063-C1069 WeakPolarHBondContact SG-CB 3.1Å; C1063-C1069 PolarHBondContact SG-N 3.01Å; C1063-C1069 VanDerWaalsContact SG-N 3.41Å; C1069-Y1073 CarbonylContact C-O 3.49Å; C1069-Y1073 VanDerWaalsContact CA-O 3.27Å; C1069-Y1073 WeakPolarHBondContact CA-O 3.43Å |
| 1070 | T | 50.1 | Low | 59.9 | Low | 31 Ų | 31 | 50 Ų | 50 | 19% | 0.19 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 122.8 | 170 | -59.1 | 0 | 0 | 0 | 0 | 109 | T73 G1072 Y1073 | T73-T1070 HydrophobicContact CG2-CG2 4.46Å; T1070-G1072 VanDerWaalsContact C-N 3.33Å; T1070-G1072 PolarHBondContact O-N 3.17Å; T1070-Y1073 PolarHBondContact N-O 3.46Å; T1070-Y1073 PolarHBondContact O-N 3.29Å |
| 1071 | D | 50.7 | Low | 60.2 | Low | 91 Ų | 91 | 46 Ų | 46 | 49% | 0.487 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 43.2 | 56.3 | -176.3 | -157 | -4.2 | 0 | 0 | 0 | 112.4 | Q947 C1058 Y1073 | Q947-D1071 PolarHBondContact NE2-O 2.84Å; Q947-D1071 PolarHBondContact NE2-OD1 2.95Å; Q947-D1071 PolarHBondContact OE1-O 3.28Å; C1058-D1071 VanDerWaalsContact SG-CA 3.59Å; C1058-D1071 PolarHBondContact SG-N 3.32Å; D1071-Y1073 WeakPolarHBondContact O-CD2 3.47Å; D1071-Y1073 PolarHBondContact O-N 2.92Å; D1071-Y1073 VanDerWaalsContact O-N 3.17Å |
| 1072 | G | 58.9 | Low | 60.7 | Low | 7 Ų | 7 | 44.8 Ų | 44.8 | 7% | 0.072 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.4 | 3.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | V1061 T1070 | V1061-G1072 WeakPolarHBondContact CG1-O 3.4Å; V1061-G1072 WeakPolarHBondContact CG2-O 3.29Å; T1070-G1072 VanDerWaalsContact C-N 3.33Å; T1070-G1072 PolarHBondContact O-N 3.17Å |
| 1073 | Y | 55.7 | Low | 60.3 | Low | 60 Ų | 60 | 37.2 Ų | 37.2 | 24% | 0.235 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 143.4 | 178 | -70 | -77.8 | 0 | 0 | 0 | 113.3 | Q947 C1069 T1070 D1071 Y1085 | Q947-Y1073 HydrophobicContact CB-CD2 4.24Å; Q947-Y1073 HydrophobicContact CB-CE1 4.16Å; Q947-Y1073 HydrophobicContact CB-CE2 3.35Å; Q947-Y1073 WeakPolarHBondContact CB-OH 3.07Å; Q947-Y1073 HydrophobicContact CG-CD2 4.2Å; Q947-Y1073 HydrophobicContact CG-CE2 3.75Å; Q947-Y1073 PolarHBondContact O-OH 3.48Å; C1069-Y1073 CarbonylContact C-O 3.49Å; C1069-Y1073 VanDerWaalsContact CA-O 3.27Å; C1069-Y1073 WeakPolarHBondContact CA-O 3.43Å; T1070-Y1073 PolarHBondContact N-O 3.46Å; T1070-Y1073 PolarHBondContact O-N 3.29Å; D1071-Y1073 WeakPolarHBondContact O-CD2 3.47Å; D1071-Y1073 PolarHBondContact O-N 2.92Å; D1071-Y1073 VanDerWaalsContact O-N 3.17Å; Y1073-Y1085 WeakPolarHBondContact CA-OH 3.23Å; Y1073-Y1085 WeakPolarHBondContact CD1-OH 3.48Å |
| 1074 | C | 76.3 | Confident | 60.1 | Low | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.014 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 136.7 | -179.8 | -59.9 | 0 | 0 | 0 | 0 | 112 | C1063 Q1068 G1084 Y1085 | C1063-C1074 WeakPolarHBondContact CA-SG 3.03Å; C1063-C1074 HydrophobicContact CB-CB 3.55Å; C1063-C1074 WeakPolarHBondContact CB-SG 3.44Å; C1063-C1074 VanDerWaalsContact SG-CA 3.54Å; C1063-C1074 WeakPolarHBondContact SG-CB 3Å; C1063-C1074 CovalentContact SG-SG 2.02Å; C1063-C1074 PolarHBondContact SG-SG 2.91Å; Q1068-C1074 CarbonylContact O-C 3.21Å; Q1068-C1074 VanDerWaalsContact O-CA 3.31Å; Q1068-C1074 WeakPolarHBondContact O-CA 3.02Å; C1074-G1084 VanDerWaalsContact CB-O 3.29Å; C1074-G1084 WeakPolarHBondContact CB-O 3.37Å; C1074-Y1085 HydrophobicContact CB-CD1 3.76Å; C1074-Y1085 HydrophobicContact CB-CD2 3.74Å; C1074-Y1085 HydrophobicContact CB-CE1 3.7Å; C1074-Y1085 HydrophobicContact CB-CE2 3.67Å; C1074-Y1085 HydrophobicContact CB-CG 3.79Å; C1074-Y1085 PolarHBondContact N-OH 2.82Å; C1074-Y1085 VanDerWaalsContact SG-CD1 3.54Å; C1074-Y1085 WeakPolarHBondContact SG-CE1 3.14Å |
| 1075 | F | 68 | Low | 60.2 | Low | 97 Ų | 97 | 37.3 Ų | 37.3 | 43% | 0.425 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 150.7 | -178.9 | -63.7 | -73 | 0 | 0 | 0 | 113.3 | E72 A1067 Q1068 G1084 | E72-F1075 VanDerWaalsContact OE2-CB 3.25Å; E72-F1075 WeakPolarHBondContact OE2-CB 3.15Å; A1067-F1075 CarbonylContact C-O 3.13Å; A1067-F1075 WeakPolarHBondContact CA-O 3.31Å; A1067-F1075 WeakPolarHBondContact CB-O 3.11Å; Q1068-F1075 PolarHBondContact N-O 2.88Å; Q1068-F1075 PolarHBondContact O-N 2.94Å; F1075-G1084 VanDerWaalsContact C-CA 3.46Å |
| 1076 | C | 61.3 | Low | 59.7 | Low | 21 Ų | 21 | 36.5 Ų | 36.5 | 14% | 0.142 | 19% | 0.194 | C | C | . | . | trans | -99.6 | 113.4 | -173.7 | -119.2 | 0 | 0 | 0 | 0 | 111.1 | S1078 G1082 G1084 E1087 C1088 | C1076-S1078 PolarHBondContact O-N 2.79Å; C1076-G1082 WeakPolarHBondContact CB-O 3.39Å; C1076-G1082 VanDerWaalsContact SG-C 3.54Å; C1076-G1082 WeakPolarHBondContact SG-CA 3.36Å; C1076-G1084 PolarHBondContact SG-N 2.91Å; C1076-G1084 VanDerWaalsContact SG-N 3.37Å; C1076-E1087 PolarHBondContact SG-O 3.26Å; C1076-C1088 WeakPolarHBondContact CA-SG 3.26Å; C1076-C1088 HydrophobicContact CB-CB 4.45Å; C1076-C1088 WeakPolarHBondContact CB-SG 3.39Å; C1076-C1088 VanDerWaalsContact SG-CA 3.5Å; C1076-C1088 WeakPolarHBondContact SG-CB 3.44Å; C1076-C1088 CovalentContact SG-SG 2.01Å; C1076-C1088 PolarHBondContact SG-SG 2.82Å | ||
| 1077 | P | 58.5 | Low | 58.9 | Low | 5 Ų | 5 | 34.7 Ų | 34.7 | 3% | 0.032 | 18% | 0.184 | C | C | . | . | trans | -67.6 | 135.4 | -170.5 | 25.5 | -35.4 | 0 | 0 | 0 | 112.2 | E72 D1066 F1080 | E72-P1077 WeakPolarHBondContact OE1-CA 3.46Å; D1066-P1077 WeakPolarHBondContact O-CD 3.43Å; D1066-P1077 WeakPolarHBondContact O-CG 2.93Å; P1077-F1080 VanDerWaalsContact O-CB 3.3Å; P1077-F1080 WeakPolarHBondContact O-CB 3.3Å; P1077-F1080 PolarHBondContact O-N 3.39Å; P1077-F1080 VanDerWaalsContact O-N 3.08Å | ||
| 1078 | S | 51.8 | Low | 59.1 | Low | 57 Ų | 57 | 34.2 Ų | 34.2 | 40% | 0.399 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | 146.4 | -176.7 | -47.5 | 0 | 0 | 0 | 0 | 112.6 | R207 C1076 | R207-S1078 VanDerWaalsContact NH2-C 3.28Å; R207-S1078 PolarHBondContact NH2-O 2.71Å; C1076-S1078 PolarHBondContact O-N 2.79Å |
| 1079 | G | 54.3 | Low | 58.7 | Low | 19 Ų | 19 | 35 Ų | 35 | 20% | 0.196 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 99.9 | -35.7 | -164.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | R1090 I1091 | G1079-R1090 VanDerWaalsContact O-CA 3.29Å; G1079-R1090 WeakPolarHBondContact O-CA 3.34Å; G1079-I1091 PolarHBondContact O-N 2.03Å |
| 1080 | F | 57.7 | Low | 58.3 | Low | 22 Ų | 22 | 38.2 Ų | 38.2 | 10% | 0.096 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 155.3 | 156.6 | -62.9 | -121.3 | 0 | 0 | 0 | 109.8 | E278 D1066 P1077 C1088 K1089 R1090 | E278-F1080 HydrophobicContact CB-CE2 4.09Å; E278-F1080 HydrophobicContact CB-CZ 4.37Å; E278-F1080 HydrophobicContact CG-CE2 4.05Å; E278-F1080 HydrophobicContact CG-CZ 4.37Å; E278-F1080 WeakPolarHBondContact OE2-CE2 2.96Å; E278-F1080 WeakPolarHBondContact OE2-CZ 3.49Å; D1066-F1080 HydrophobicContact CB-CD1 4.33Å; D1066-F1080 HydrophobicContact CB-CE1 4.29Å; P1077-F1080 VanDerWaalsContact O-CB 3.3Å; P1077-F1080 WeakPolarHBondContact O-CB 3.3Å; P1077-F1080 PolarHBondContact O-N 3.39Å; P1077-F1080 VanDerWaalsContact O-N 3.08Å; F1080-C1088 HydrophobicContact CB-CB 3.9Å; F1080-C1088 WeakPolarHBondContact CB-SG 3.31Å; F1080-C1088 VanDerWaalsContact CD1-C 3.44Å; F1080-C1088 HydrophobicContact CD1-CB 3.68Å; F1080-C1088 HydrophobicContact CG-CB 4.18Å; F1080-K1089 VanDerWaalsContact CA-O 3.27Å; F1080-K1089 WeakPolarHBondContact CA-O 2.89Å; F1080-R1090 HydrophobicContact CD2-CG 3.92Å; F1080-R1090 HydrophobicContact CE2-CB 4.36Å; F1080-R1090 HydrophobicContact CE2-CG 3.62Å; F1080-R1090 HydrophobicContact CG-CG 4.48Å; F1080-R1090 HydrophobicContact CZ-CB 4.3Å; F1080-R1090 HydrophobicContact CZ-CG 3.97Å |
| 1081 | E | 56.5 | Low | 58.8 | Low | 38 Ų | 38 | 41.3 Ų | 41.3 | 18% | 0.178 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 137.4 | 165 | 34.7 | 164.6 | -130 | 0 | 0 | 109 | K1089 I1091 K1511 | E1081-K1089 PolarHBondContact N-O 2.04Å; E1081-K1089 VanDerWaalsContact N-O 3.08Å; E1081-K1089 PolarHBondContact O-N 2.71Å; E1081-I1091 HydrophobicContact CG-CD1 4.12Å; E1081-I1091 HydrophobicContact CG-CG1 4.18Å; E1081-K1511 HydrophobicContact CG-CD 4.17Å; E1081-K1511 WeakPolarHBondContact O-CD 3.41Å; E1081-K1511 IonicContact OE1-NZ 3.59Å; E1081-K1511 PolarHBondContact OE1-NZ 3.46Å |
| 1082 | G | 60.1 | Low | 58.5 | Low | 16 Ų | 16 | 43.3 Ų | 43.3 | 17% | 0.165 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 171.3 | -168 | 170.7 | 0 | 0 | 0 | 0 | 0 | 118.9 | C1076 Y1512 | C1076-G1082 WeakPolarHBondContact CB-O 3.39Å; C1076-G1082 VanDerWaalsContact SG-C 3.54Å; C1076-G1082 WeakPolarHBondContact SG-CA 3.36Å; G1082-Y1512 VanDerWaalsContact C-CD2 3.41Å |
| 1083 | D | 52.9 | Low | 57.6 | Low | 43 Ų | 43 | 48.5 Ų | 48.5 | 23% | 0.23 | 24% | 0.244 | C | C | . | . | trans | -91.9 | -21.2 | 179.4 | 57.9 | 2.9 | 0 | 0 | 0 | 112.8 | Y1085 Y1086 Y1512 | D1083-Y1085 PolarHBondContact O-N 3.16Å; D1083-Y1085 PolarHBondContact OD1-N 3.41Å; D1083-Y1086 PolarHBondContact OD1-N 2.86Å; D1083-Y1086 WeakPolarHBondContact OD2-CD2 3.48Å; D1083-Y1512 HydrophobicContact CB-CD1 4.4Å; D1083-Y1512 HydrophobicContact CB-CD2 3.78Å; D1083-Y1512 HydrophobicContact CB-CG 3.52Å; D1083-Y1512 VanDerWaalsContact CG-CD1 3.46Å; D1083-Y1512 WeakPolarHBondContact OD1-CD1 2.93Å; D1083-Y1512 VanDerWaalsContact OD1-CG 3.29Å; D1083-Y1512 VanDerWaalsContact OD2-CB 3.26Å; D1083-Y1512 WeakPolarHBondContact OD2-CB 3.21Å; D1083-Y1512 WeakPolarHBondContact OD2-CD1 3.01Å; D1083-Y1512 VanDerWaalsContact OD2-CG 3.28Å | ||
| 1084 | G | 62.8 | Low | 57.4 | Low | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | S | Bend | trans | 82.7 | -18.4 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | C1063 H1064 A1067 C1074 F1075 C1076 | C1063-G1084 WeakPolarHBondContact CB-O 3.12Å; H1064-G1084 PolarHBondContact N-O 2.94Å; A1067-G1084 VanDerWaalsContact CB-C 3.49Å; A1067-G1084 WeakPolarHBondContact CB-O 3.38Å; C1074-G1084 VanDerWaalsContact CB-O 3.29Å; C1074-G1084 WeakPolarHBondContact CB-O 3.37Å; F1075-G1084 VanDerWaalsContact C-CA 3.46Å; C1076-G1084 PolarHBondContact SG-N 2.91Å; C1076-G1084 VanDerWaalsContact SG-N 3.37Å |
| 1085 | Y | 70 | Confident | 56.6 | Low | 68 Ų | 68 | 58.3 Ų | 58.3 | 27% | 0.267 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -83.6 | -39.3 | 178 | -74.3 | -87.6 | 0 | 0 | 0 | 111.9 | V1061 C1063 H1064 Y1073 C1074 D1083 | V1061-Y1085 HydrophobicContact CG1-CE1 4.41Å; C1063-Y1085 CarbonylContact C-O 3.54Å; H1064-Y1085 PolarHBondContact N-O 2.9Å; Y1073-Y1085 WeakPolarHBondContact CA-OH 3.23Å; Y1073-Y1085 WeakPolarHBondContact CD1-OH 3.48Å; C1074-Y1085 HydrophobicContact CB-CD1 3.76Å; C1074-Y1085 HydrophobicContact CB-CD2 3.74Å; C1074-Y1085 HydrophobicContact CB-CE1 3.7Å; C1074-Y1085 HydrophobicContact CB-CE2 3.67Å; C1074-Y1085 HydrophobicContact CB-CG 3.79Å; C1074-Y1085 PolarHBondContact N-OH 2.82Å; C1074-Y1085 VanDerWaalsContact SG-CD1 3.54Å; C1074-Y1085 WeakPolarHBondContact SG-CE1 3.14Å; D1083-Y1085 PolarHBondContact O-N 3.16Å; D1083-Y1085 PolarHBondContact OD1-N 3.41Å |
| 1086 | Y | 58.4 | Low | 56.6 | Low | 87 Ų | 87 | 55.7 Ų | 55.7 | 34% | 0.341 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -135.9 | -23.5 | -156.3 | -62.6 | -39.2 | 0 | 0 | 0 | 118.6 | H1064 D1083 R1761 | H1064-Y1086 VanDerWaalsContact CD2-C 3.4Å; H1064-Y1086 PolarHBondContact CD2-O 2.79Å; D1083-Y1086 PolarHBondContact OD1-N 2.86Å; D1083-Y1086 WeakPolarHBondContact OD2-CD2 3.48Å; Y1086-R1761 VanDerWaalsContact CB-NE 3.29Å; Y1086-R1761 VanDerWaalsContact CD1-NE 3.26Å; Y1086-R1761 VanDerWaalsContact CD2-CD 3.49Å; Y1086-R1761 VanDerWaalsContact CD2-NE 3.34Å; Y1086-R1761 VanDerWaalsContact CE2-NH1 3.31Å; Y1086-R1761 VanDerWaalsContact CZ-CZ 3.42Å |
| 1087 | E | 46.9 | Very low | 56.5 | Low | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | trans | -161 | 166.1 | 156.2 | 167.8 | -140.6 | -86 | 0 | 0 | 109.4 | H1064 C1076 K1089 D1485 K1511 Y1512 C1758 S1759 | H1064-E1087 WeakPolarHBondContact CD2-CA 3.47Å; H1064-E1087 VanDerWaalsContact CG-CA 3.41Å; H1064-E1087 WeakPolarHBondContact NE2-CA 3.34Å; C1076-E1087 PolarHBondContact SG-O 3.26Å; E1087-K1089 HydrophobicContact CG-CG 4.07Å; E1087-K1089 WeakPolarHBondContact OE1-CE 3.39Å; E1087-K1089 IonicContact OE1-NZ 3.39Å; E1087-K1089 PolarHBondContact OE1-NZ 3.23Å; E1087-K1089 VanDerWaalsContact OE2-CD 3.22Å; E1087-K1089 WeakPolarHBondContact OE2-CD 3.29Å; E1087-K1089 WeakPolarHBondContact OE2-CE 3.17Å; E1087-K1089 WeakPolarHBondContact OE2-CG 3.03Å; E1087-K1089 IonicContact OE2-NZ 3.36Å; E1087-K1089 PolarHBondContact OE2-NZ 2.78Å; E1087-D1485 WeakPolarHBondContact OE2-CB 3.38Å; E1087-K1511 VanDerWaalsContact OE2-CE 3.26Å; E1087-K1511 WeakPolarHBondContact OE2-CE 3.4Å; E1087-Y1512 WeakPolarHBondContact CA-OH 3.44Å; E1087-Y1512 HydrophobicContact CB-CE1 3.57Å; E1087-Y1512 VanDerWaalsContact CB-CZ 3.44Å; E1087-Y1512 WeakPolarHBondContact CB-OH 3.37Å; E1087-Y1512 WeakPolarHBondContact CG-OH 3.01Å; E1087-Y1512 WeakPolarHBondContact O-CE2 3.41Å; E1087-Y1512 PolarHBondContact O-OH 2.84Å; E1087-Y1512 PolarHBondContact OE2-OH 2.81Å; E1087-C1758 WeakPolarHBondContact CG-O 3.39Å; E1087-C1758 WeakPolarHBondContact OE1-CB 3.02Å; E1087-S1759 WeakPolarHBondContact OE1-CB 3.34Å; E1087-S1759 PolarHBondContact OE1-N 3Å; E1087-S1759 VanDerWaalsContact OE1-N 3.07Å | ||
| 1088 | C | 63.8 | Low | 56.5 | Low | 2 Ų | 2 | 65.2 Ų | 65.2 | 1% | 0.014 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 143 | 167.7 | -132.2 | 0 | 0 | 0 | 0 | 106.3 | H1064 D1066 C1076 F1080 | H1064-C1088 PolarHBondContact ND1-N 2.83Å; D1066-C1088 HydrophobicContact CB-CB 3.54Å; C1076-C1088 WeakPolarHBondContact CA-SG 3.26Å; C1076-C1088 HydrophobicContact CB-CB 4.45Å; C1076-C1088 WeakPolarHBondContact CB-SG 3.39Å; C1076-C1088 VanDerWaalsContact SG-CA 3.5Å; C1076-C1088 WeakPolarHBondContact SG-CB 3.44Å; C1076-C1088 CovalentContact SG-SG 2.01Å; C1076-C1088 PolarHBondContact SG-SG 2.82Å; F1080-C1088 HydrophobicContact CB-CB 3.9Å; F1080-C1088 WeakPolarHBondContact CB-SG 3.31Å; F1080-C1088 VanDerWaalsContact CD1-C 3.44Å; F1080-C1088 HydrophobicContact CD1-CB 3.68Å; F1080-C1088 HydrophobicContact CG-CB 4.18Å |
| 1089 | K | 53.5 | Low | 57.4 | Low | 40 Ų | 40 | 64.4 Ų | 64.4 | 17% | 0.174 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 153 | 164.4 | -47 | 169 | 171.9 | 119.9 | 0 | 115.3 | F1080 E1081 E1087 D1485 D1486 C1758 | F1080-K1089 VanDerWaalsContact CA-O 3.27Å; F1080-K1089 WeakPolarHBondContact CA-O 2.89Å; E1081-K1089 PolarHBondContact N-O 2.04Å; E1081-K1089 VanDerWaalsContact N-O 3.08Å; E1081-K1089 PolarHBondContact O-N 2.71Å; E1087-K1089 HydrophobicContact CG-CG 4.07Å; E1087-K1089 WeakPolarHBondContact OE1-CE 3.39Å; E1087-K1089 IonicContact OE1-NZ 3.39Å; E1087-K1089 PolarHBondContact OE1-NZ 3.23Å; E1087-K1089 VanDerWaalsContact OE2-CD 3.22Å; E1087-K1089 WeakPolarHBondContact OE2-CD 3.29Å; E1087-K1089 WeakPolarHBondContact OE2-CE 3.17Å; E1087-K1089 WeakPolarHBondContact OE2-CG 3.03Å; E1087-K1089 IonicContact OE2-NZ 3.36Å; E1087-K1089 PolarHBondContact OE2-NZ 2.78Å; K1089-D1485 VanDerWaalsContact NZ-C 3.27Å; K1089-D1485 PolarHBondContact NZ-O 3.3Å; K1089-D1486 WeakPolarHBondContact CE-OD1 3.44Å; K1089-D1486 IonicContact NZ-OD1 2.79Å; K1089-D1486 PolarHBondContact NZ-OD1 3.37Å; K1089-C1758 VanDerWaalsContact CE-CB 3.41Å |
| 1090 | R | 56.7 | Low | 58.4 | Low | 95 Ų | 95 | 73 Ų | 73 | 36% | 0.358 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 143.3 | -168.7 | -124.1 | 173.1 | -73.4 | -175.6 | -10.8 | 116.8 | E167 E278 N279 G1079 F1080 | E167-R1090 WeakPolarHBondContact OE1-CD 3.1Å; E278-R1090 PolarHBondContact O-NH1 2.86Å; E278-R1090 PolarHBondContact O-NH2 3.43Å; E278-R1090 IonicContact OE2-CZ 3.14Å; E278-R1090 IonicContact OE2-NH2 3.95Å; E278-R1090 PolarHBondContact OE2-NH2 2.89Å; N279-R1090 WeakPolarHBondContact ND2-CD 3.35Å; N279-R1090 PolarHBondContact ND2-NH1 3.35Å; N279-R1090 VanDerWaalsContact ND2-NH1 3.16Å; N279-R1090 PolarHBondContact OD1-NH1 3.25Å; G1079-R1090 VanDerWaalsContact O-CA 3.29Å; G1079-R1090 WeakPolarHBondContact O-CA 3.34Å; F1080-R1090 HydrophobicContact CD2-CG 3.92Å; F1080-R1090 HydrophobicContact CE2-CB 4.36Å; F1080-R1090 HydrophobicContact CE2-CG 3.62Å; F1080-R1090 HydrophobicContact CG-CG 4.48Å; F1080-R1090 HydrophobicContact CZ-CB 4.3Å; F1080-R1090 HydrophobicContact CZ-CG 3.97Å |
| 1091 | I | 59.3 | Low | 59.8 | Low | 97 Ų | 97 | 73.8 Ų | 73.8 | 50% | 0.497 | 37% | 0.369 | S | S | . | . | trans | -101.7 | 145.6 | -178.4 | -55.2 | 174 | 0 | 0 | 0 | 111.7 | G1079 E1081 | G1079-I1091 PolarHBondContact O-N 2.03Å; E1081-I1091 HydrophobicContact CG-CD1 4.12Å; E1081-I1091 HydrophobicContact CG-CG1 4.18Å | ||
| 1092 | T | 45.4 | Very low | 61.3 | Low | 133 Ų | 133 | 73.8 Ų | 73.8 | 82% | 0.816 | 37% | 0.368 | S | S | * | . | trans | -122.5 | 147 | -174.2 | 50.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1093 | Q | 39.5 | Very low | 62.5 | Low | 116 Ų | 116 | 80.5 Ų | 80.5 | 54% | 0.542 | 40% | 0.396 | S | S | . | . | trans | -128 | -9.9 | -156.6 | -86.3 | -176.3 | -5.7 | 0 | 0 | 121.1 | ||||
| 1094 | D | 51.3 | Low | 64 | Low | 120 Ų | 120 | 80.7 Ų | 80.7 | 64% | 0.642 | 40% | 0.396 | S | S | * | . | trans | -121.2 | 112.3 | 166.4 | -176.3 | -11.7 | 0 | 0 | 0 | 110.7 | C1096 A1097 | D1094-C1096 PolarHBondContact OD1-N 3.45Å; D1094-A1097 HydrophobicContact CB-CB 4.4Å; D1094-A1097 PolarHBondContact OD1-N 2.91Å | ||
| 1095 | R | 60.6 | Low | 65.2 | Low | 148 Ų | 148 | 81.1 Ų | 81.1 | 56% | 0.558 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -84.1 | -20.7 | -171.7 | -57.6 | 178.6 | 168.5 | 170.8 | -4.2 | 114 | V1099 D1109 G1110 | R1095-V1099 WeakPolarHBondContact O-CG2 3.24Å; R1095-D1109 IonicContact NH1-OD2 3.8Å; R1095-G1110 VanDerWaalsContact C-CA 3.49Å; R1095-G1110 VanDerWaalsContact CB-CA 3.46Å; R1095-G1110 VanDerWaalsContact O-CA 3.3Å; R1095-G1110 WeakPolarHBondContact O-CA 3.45Å |
| 1096 | C | 68.6 | Low | 65.8 | Low | 42 Ų | 42 | 84.5 Ų | 84.5 | 28% | 0.284 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -93 | -20.8 | -179.5 | -88.2 | 0 | 0 | 0 | 0 | 113.7 | D1094 N1098 V1099 C1107 G1110 | D1094-C1096 PolarHBondContact OD1-N 3.45Å; C1096-N1098 PolarHBondContact O-N 3.38Å; C1096-V1099 PolarHBondContact O-N 2.82Å; C1096-C1107 VanDerWaalsContact CA-SG 3.56Å; C1096-C1107 HydrophobicContact CB-CB 4.17Å; C1096-C1107 WeakPolarHBondContact CB-SG 2.96Å; C1096-C1107 WeakPolarHBondContact SG-CB 3.23Å; C1096-C1107 CovalentContact SG-SG 2.05Å; C1096-C1107 PolarHBondContact SG-SG 2.93Å; C1096-G1110 PolarHBondContact SG-N 3.37Å |
| 1097 | A | 58.2 | Low | 67 | Low | 69 Ų | 69 | 81.9 Ų | 81.9 | 57% | 0.57 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.1 | -36.1 | -168.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | D1094 | D1094-A1097 HydrophobicContact CB-CB 4.4Å; D1094-A1097 PolarHBondContact OD1-N 2.91Å |
| 1098 | N | 58.1 | Low | 68 | Low | 156 Ų | 156 | 85 Ų | 85 | 83% | 0.834 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.4 | 10 | -179.7 | -68.2 | -38.8 | 0 | 0 | 0 | 113.9 | C1096 R1100 | C1096-N1098 PolarHBondContact O-N 3.38Å; N1098-R1100 PolarHBondContact O-N 2.79Å |
| 1099 | V | 70.9 | Confident | 68.1 | Low | 41 Ų | 41 | 90.3 Ų | 90.3 | 25% | 0.248 | 46% | 0.455 | C | S | . | . | trans | -86.4 | 101.5 | -172.5 | 166.5 | 0 | 0 | 0 | 0 | 111.5 | R1095 C1096 C1101 C1107 C1112 Y1123 | R1095-V1099 WeakPolarHBondContact O-CG2 3.24Å; C1096-V1099 PolarHBondContact O-N 2.82Å; V1099-C1101 PolarHBondContact O-N 3.49Å; V1099-C1107 HydrophobicContact CG1-CB 4.47Å; V1099-C1112 WeakPolarHBondContact CG1-SG 3.24Å; V1099-Y1123 HydrophobicContact CG1-CE1 3.76Å | ||
| 1100 | R | 76.3 | Confident | 68.9 | Low | 198 Ų | 198 | 88.7 Ų | 88.7 | 75% | 0.747 | 45% | 0.45 | S | S | * | . | trans | -81.1 | 106.7 | 174 | -61.2 | -175.4 | 74.8 | 178.4 | 4.4 | 110.3 | N1098 | N1098-R1100 PolarHBondContact O-N 2.79Š| ||
| 1101 | C | 85.7 | Confident | 69.9 | Low | 40 Ų | 40 | 90.8 Ų | 90.8 | 27% | 0.27 | 46% | 0.459 | S | S | . | . | trans | -88.1 | 154.6 | 175 | -57.4 | 0 | 0 | 0 | 0 | 112.8 | V1099 A1105 C1112 G1122 | V1099-C1101 PolarHBondContact O-N 3.49Å; C1101-A1105 HydrophobicContact CB-CB 3.96Å; C1101-C1112 WeakPolarHBondContact CA-SG 3.3Å; C1101-C1112 HydrophobicContact CB-CB 3.71Å; C1101-C1112 WeakPolarHBondContact CB-SG 3.33Å; C1101-C1112 VanDerWaalsContact SG-CA 3.56Å; C1101-C1112 WeakPolarHBondContact SG-CB 3.27Å; C1101-C1112 CovalentContact SG-SG 2.03Å; C1101-C1112 PolarHBondContact SG-SG 3Å; C1101-G1122 WeakPolarHBondContact CA-O 3.33Å | ||
| 1102 | H | 87.7 | Confident | 71.3 | Confident | 37 Ų | 37 | 86.6 Ų | 86.6 | 17% | 0.171 | 44% | 0.438 | C | S | . | . | trans | -56.9 | 151.7 | 169.1 | -176.7 | -87.1 | 0 | 0 | 0 | 111.1 | N1104 A1105 G1122 Y1123 S1124 C1126 | H1102-N1104 PolarHBondContact ND1-N 2.86Å; H1102-N1104 VanDerWaalsContact ND1-N 3.2Å; H1102-N1104 PolarHBondContact O-N 2.86Å; H1102-A1105 HydrophobicContact CB-CB 4.35Å; H1102-A1105 WeakPolarHBondContact O-CB 3.38Å; H1102-A1105 PolarHBondContact O-N 3.37Å; H1102-G1122 WeakPolarHBondContact CB-O 2.96Å; H1102-G1122 PolarHBondContact N-O 3.05Å; H1102-Y1123 PolarHBondContact N-O 2.89Å; H1102-S1124 VanDerWaalsContact CD2-C 3.48Å; H1102-S1124 PolarHBondContact CD2-O 2.62Å; H1102-S1124 VanDerWaalsContact CD2-O 3.31Å; H1102-C1126 PolarHBondContact CE1-N 3.34Å; H1102-C1126 VanDerWaalsContact CE1-N 3.26Å; H1102-C1126 PolarHBondContact CE1-O 2.78Å; H1102-C1126 VanDerWaalsContact CE1-O 3.25Å; H1102-C1126 WeakPolarHBondContact ND1-CB 3Å; H1102-C1126 PolarHBondContact ND1-N 2.88Å; H1102-C1126 PolarHBondContact NE2-N 3.18Å | ||
| 1103 | E | 85.5 | Confident | 73.1 | Confident | 158 Ų | 158 | 87.3 Ų | 87.3 | 74% | 0.738 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | -38.9 | -175.2 | -18 | 177.2 | -168.7 | 0 | 0 | 113.2 | A1105 K1115 | E1103-A1105 VanDerWaalsContact C-N 3.34Å; E1103-A1105 PolarHBondContact O-N 3.41Å; E1103-K1115 PolarHBondContact O-NZ 3.44Å |
| 1104 | N | 84.9 | Confident | 75.4 | Confident | 46 Ų | 46 | 83.3 Ų | 83.3 | 25% | 0.246 | 41% | 0.41 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | 25.2 | 177.9 | -54.4 | -47.3 | 0 | 0 | 0 | 114.1 | H1102 C1114 K1115 F1118 C1126 | H1102-N1104 PolarHBondContact ND1-N 2.86Å; H1102-N1104 VanDerWaalsContact ND1-N 3.2Å; H1102-N1104 PolarHBondContact O-N 2.86Å; N1104-C1114 CarbonylContact O-C 3.48Å; N1104-C1114 WeakPolarHBondContact O-CA 3.48Å; N1104-K1115 WeakPolarHBondContact O-CG 3.27Å; N1104-K1115 PolarHBondContact O-N 3.05Å; N1104-F1118 HydrophobicContact CB-CB 4.41Å; N1104-F1118 HydrophobicContact CB-CD1 3.58Å; N1104-F1118 HydrophobicContact CB-CD2 4.15Å; N1104-F1118 HydrophobicContact CB-CE1 3.77Å; N1104-F1118 HydrophobicContact CB-CE2 4.32Å; N1104-F1118 HydrophobicContact CB-CG 3.8Å; N1104-F1118 HydrophobicContact CB-CZ 4.14Å; N1104-F1118 WeakPolarHBondContact ND2-CE1 3.42Å; N1104-C1126 HydrophobicContact CB-CB 3.76Å; N1104-C1126 PolarHBondContact ND2-O 2.67Å |
| 1105 | A | 87.7 | Confident | 77 | Confident | 9 Ų | 9 | 82.5 Ų | 82.5 | 7% | 0.074 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 171.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | C1101 H1102 E1103 C1112 R1113 K1115 G1122 | C1101-A1105 HydrophobicContact CB-CB 3.96Å; H1102-A1105 HydrophobicContact CB-CB 4.35Å; H1102-A1105 WeakPolarHBondContact O-CB 3.38Å; H1102-A1105 PolarHBondContact O-N 3.37Å; E1103-A1105 VanDerWaalsContact C-N 3.34Å; E1103-A1105 PolarHBondContact O-N 3.41Å; A1105-C1112 HydrophobicContact CB-CB 4.45Å; A1105-R1113 CarbonylContact C-O 3.49Å; A1105-R1113 WeakPolarHBondContact CA-O 3.46Å; A1105-R1113 VanDerWaalsContact CB-O 3.31Å; A1105-R1113 WeakPolarHBondContact CB-O 3.37Å; A1105-K1115 WeakPolarHBondContact O-CE 3.48Å; A1105-G1122 WeakPolarHBondContact CB-O 3.34Å |
| 1106 | K | 82.9 | Confident | 77.8 | Confident | 140 Ų | 140 | 84.1 Ų | 84.1 | 61% | 0.609 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 139.7 | 176.7 | 177.5 | -168.8 | 168.2 | -163.7 | 0 | 109.3 | C1112 R1113 | K1106-C1112 WeakPolarHBondContact O-CA 3.39Å; K1106-R1113 PolarHBondContact N-O 3.02Å; K1106-R1113 PolarHBondContact O-N 3.06Å |
| 1107 | C | 83.1 | Confident | 77.5 | Confident | 32 Ų | 32 | 87.9 Ų | 87.9 | 22% | 0.216 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 134.2 | 170.4 | -162.2 | 0 | 0 | 0 | 0 | 111.2 | C1096 V1099 | C1096-C1107 VanDerWaalsContact CA-SG 3.56Å; C1096-C1107 HydrophobicContact CB-CB 4.17Å; C1096-C1107 WeakPolarHBondContact CB-SG 2.96Å; C1096-C1107 WeakPolarHBondContact SG-CB 3.23Å; C1096-C1107 CovalentContact SG-SG 2.05Å; C1096-C1107 PolarHBondContact SG-SG 2.93Å; V1099-C1107 HydrophobicContact CG1-CB 4.47Å |
| 1108 | D | 69.3 | Low | 78.6 | Confident | 66 Ų | 66 | 86.4 Ų | 86.4 | 35% | 0.353 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 110.6 | 178.8 | -166.9 | 50.1 | 0 | 0 | 0 | 107.9 | G1110 Y1111 R1113 | D1108-G1110 VanDerWaalsContact C-N 3.29Å; D1108-G1110 PolarHBondContact O-N 3.24Å; D1108-Y1111 PolarHBondContact N-O 2.99Å; D1108-Y1111 PolarHBondContact O-N 3.28Å; D1108-R1113 HydrophobicContact CB-CG 4.38Å; D1108-R1113 IonicContact OD2-CZ 2.72Å; D1108-R1113 IonicContact OD2-NE 3.57Å; D1108-R1113 PolarHBondContact OD2-NE 3.02Å; D1108-R1113 IonicContact OD2-NH1 3.54Å; D1108-R1113 PolarHBondContact OD2-NH1 3.41Å; D1108-R1113 IonicContact OD2-NH2 3.28Å; D1108-R1113 PolarHBondContact OD2-NH2 3.43Å; D1108-R1113 VanDerWaalsContact OD2-NH2 3.13Å |
| 1109 | D | 65.2 | Low | 79.3 | Confident | 114 Ų | 114 | 83.5 Ų | 83.5 | 61% | 0.61 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.3 | 42.4 | -174 | -166.3 | 36.7 | 0 | 0 | 0 | 115.1 | R1095 Y1111 | R1095-D1109 IonicContact NH1-OD2 3.8Å; D1109-Y1111 VanDerWaalsContact C-N 3.34Å; D1109-Y1111 VanDerWaalsContact O-CD2 3.31Å; D1109-Y1111 WeakPolarHBondContact O-CD2 3.31Å |
| 1110 | G | 69.7 | Low | 79.9 | Confident | 6 Ų | 6 | 83.6 Ų | 83.6 | 6% | 0.062 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87.1 | -6.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | R1095 C1096 D1108 Y1123 | R1095-G1110 VanDerWaalsContact C-CA 3.49Å; R1095-G1110 VanDerWaalsContact CB-CA 3.46Å; R1095-G1110 VanDerWaalsContact O-CA 3.3Å; R1095-G1110 WeakPolarHBondContact O-CA 3.45Å; C1096-G1110 PolarHBondContact SG-N 3.37Å; D1108-G1110 VanDerWaalsContact C-N 3.29Å; D1108-G1110 PolarHBondContact O-N 3.24Å; G1110-Y1123 PolarHBondContact O-OH 3.14Å |
| 1111 | Y | 78.3 | Confident | 80 | Confident | 139 Ų | 139 | 77.7 Ų | 77.7 | 55% | 0.545 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 131 | -177.5 | -65.2 | -83.8 | 0 | 0 | 0 | 111.7 | D1108 D1109 R1113 Y1123 | D1108-Y1111 PolarHBondContact N-O 2.99Å; D1108-Y1111 PolarHBondContact O-N 3.28Å; D1109-Y1111 VanDerWaalsContact C-N 3.34Å; D1109-Y1111 VanDerWaalsContact O-CD2 3.31Å; D1109-Y1111 WeakPolarHBondContact O-CD2 3.31Å; Y1111-R1113 PolarHBondContact O-N 2.84Å; Y1111-Y1123 WeakPolarHBondContact CA-OH 3.01Å |
| 1112 | C | 88.3 | Confident | 79.8 | Confident | 9 Ų | 9 | 75.8 Ų | 75.8 | 6% | 0.061 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 124.6 | 173.3 | -62.7 | 0 | 0 | 0 | 0 | 110.9 | V1099 C1101 A1105 K1106 G1122 Y1123 | V1099-C1112 WeakPolarHBondContact CG1-SG 3.24Å; C1101-C1112 WeakPolarHBondContact CA-SG 3.3Å; C1101-C1112 HydrophobicContact CB-CB 3.71Å; C1101-C1112 WeakPolarHBondContact CB-SG 3.33Å; C1101-C1112 VanDerWaalsContact SG-CA 3.56Å; C1101-C1112 WeakPolarHBondContact SG-CB 3.27Å; C1101-C1112 CovalentContact SG-SG 2.03Å; C1101-C1112 PolarHBondContact SG-SG 3Å; A1105-C1112 HydrophobicContact CB-CB 4.45Å; K1106-C1112 WeakPolarHBondContact O-CA 3.39Å; C1112-G1122 WeakPolarHBondContact CB-O 3.38Å; C1112-Y1123 HydrophobicContact CB-CD1 4.26Å; C1112-Y1123 HydrophobicContact CB-CD2 3.96Å; C1112-Y1123 HydrophobicContact CB-CE1 4.18Å; C1112-Y1123 HydrophobicContact CB-CE2 3.83Å; C1112-Y1123 HydrophobicContact CB-CG 4.16Å; C1112-Y1123 PolarHBondContact N-OH 2.95Å; C1112-Y1123 VanDerWaalsContact SG-CD1 3.59Å; C1112-Y1123 WeakPolarHBondContact SG-CE1 3.37Å |
| 1113 | R | 82.8 | Confident | 79.6 | Confident | 148 Ų | 148 | 78.8 Ų | 78.8 | 56% | 0.558 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 131.2 | 174.2 | -57.8 | -173.2 | -173.5 | -169.6 | 7.6 | 109.9 | A1105 K1106 D1108 Y1111 | A1105-R1113 CarbonylContact C-O 3.49Å; A1105-R1113 WeakPolarHBondContact CA-O 3.46Å; A1105-R1113 VanDerWaalsContact CB-O 3.31Å; A1105-R1113 WeakPolarHBondContact CB-O 3.37Å; K1106-R1113 PolarHBondContact N-O 3.02Å; K1106-R1113 PolarHBondContact O-N 3.06Å; D1108-R1113 HydrophobicContact CB-CG 4.38Å; D1108-R1113 IonicContact OD2-CZ 2.72Å; D1108-R1113 IonicContact OD2-NE 3.57Å; D1108-R1113 PolarHBondContact OD2-NE 3.02Å; D1108-R1113 IonicContact OD2-NH1 3.54Å; D1108-R1113 PolarHBondContact OD2-NH1 3.41Å; D1108-R1113 IonicContact OD2-NH2 3.28Å; D1108-R1113 PolarHBondContact OD2-NH2 3.43Å; D1108-R1113 VanDerWaalsContact OD2-NH2 3.13Å; Y1111-R1113 PolarHBondContact O-N 2.84Å |
| 1114 | C | 87.8 | Confident | 79.3 | Confident | 31 Ų | 31 | 75.7 Ų | 75.7 | 21% | 0.209 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.5 | 142.6 | 172.6 | -59.4 | 0 | 0 | 0 | 0 | 110.9 | N1104 F1118 E1119 G1120 C1126 | N1104-C1114 CarbonylContact O-C 3.48Å; N1104-C1114 WeakPolarHBondContact O-CA 3.48Å; C1114-F1118 HydrophobicContact CB-CB 3.88Å; C1114-E1119 VanDerWaalsContact SG-C 3.52Å; C1114-G1120 PolarHBondContact SG-N 2.92Å; C1114-G1120 VanDerWaalsContact SG-N 3.42Å; C1114-C1126 WeakPolarHBondContact CA-SG 3.02Å; C1114-C1126 HydrophobicContact CB-CB 3.88Å; C1114-C1126 WeakPolarHBondContact CB-SG 3.38Å; C1114-C1126 WeakPolarHBondContact SG-CB 3.46Å; C1114-C1126 CovalentContact SG-SG 2.04Å; C1114-C1126 PolarHBondContact SG-SG 2.86Å |
| 1115 | K | 86.1 | Confident | 78.7 | Confident | 104 Ų | 104 | 77 Ų | 77 | 45% | 0.452 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 165.5 | 176.5 | -67.2 | 167.5 | -175.3 | 163.8 | 0 | 110.6 | E1103 N1104 A1105 F1118 | E1103-K1115 PolarHBondContact O-NZ 3.44Å; N1104-K1115 WeakPolarHBondContact O-CG 3.27Å; N1104-K1115 PolarHBondContact O-N 3.05Å; A1105-K1115 WeakPolarHBondContact O-CE 3.48Å; K1115-F1118 HydrophobicContact CB-CD2 4.47Å; K1115-F1118 PolarHBondContact O-N 3.19Å |
| 1116 | E | 75.9 | Confident | 78.6 | Confident | 181 Ų | 181 | 76.8 Ų | 76.8 | 85% | 0.846 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | 144.2 | 171.9 | -69.5 | -170.6 | 138.5 | 0 | 0 | 110.6 | F1118 | E1116-F1118 VanDerWaalsContact C-N 3.26Å; E1116-F1118 WeakPolarHBondContact O-CD2 3.29Å; E1116-F1118 PolarHBondContact O-N 2.82Å |
| 1117 | D | 63.1 | Low | 78.2 | Confident | 122 Ų | 122 | 75.2 Ų | 75.2 | 65% | 0.652 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66 | 8.5 | -169.6 | -48.4 | -30.2 | 0 | 0 | 0 | 117 | R1128 K1129 | D1117-R1128 CarbonylContact O-C 3.42Å; D1117-R1128 VanDerWaalsContact O-CA 3.28Å; D1117-R1128 WeakPolarHBondContact O-CA 3.34Å; D1117-K1129 PolarHBondContact O-N 3.47Å |
| 1118 | F | 81.9 | Confident | 77.4 | Confident | 37 Ų | 37 | 83.1 Ų | 83.1 | 16% | 0.162 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 153.3 | 174.2 | -65.4 | -99.8 | 0 | 0 | 0 | 113.6 | N1104 C1114 K1115 E1116 C1126 R1127 R1128 K1129 | N1104-F1118 HydrophobicContact CB-CB 4.41Å; N1104-F1118 HydrophobicContact CB-CD1 3.58Å; N1104-F1118 HydrophobicContact CB-CD2 4.15Å; N1104-F1118 HydrophobicContact CB-CE1 3.77Å; N1104-F1118 HydrophobicContact CB-CE2 4.32Å; N1104-F1118 HydrophobicContact CB-CG 3.8Å; N1104-F1118 HydrophobicContact CB-CZ 4.14Å; N1104-F1118 WeakPolarHBondContact ND2-CE1 3.42Å; C1114-F1118 HydrophobicContact CB-CB 3.88Å; K1115-F1118 HydrophobicContact CB-CD2 4.47Å; K1115-F1118 PolarHBondContact O-N 3.19Å; E1116-F1118 VanDerWaalsContact C-N 3.26Å; E1116-F1118 WeakPolarHBondContact O-CD2 3.29Å; E1116-F1118 PolarHBondContact O-N 2.82Å; F1118-C1126 HydrophobicContact CB-CB 4.21Å; F1118-C1126 WeakPolarHBondContact CD1-O 3.49Å; F1118-R1127 CarbonylContact C-O 3.47Å; F1118-R1127 VanDerWaalsContact CA-O 3.31Å; F1118-R1127 WeakPolarHBondContact CA-O 3.34Å; F1118-R1127 VanDerWaalsContact CD1-C 3.46Å; F1118-R1128 HydrophobicContact CD1-CB 4.48Å; F1118-R1128 HydrophobicContact CD1-CG 4Å; F1118-R1128 HydrophobicContact CE1-CB 4.41Å; F1118-R1128 HydrophobicContact CE1-CG 3.48Å; F1118-R1128 VanDerWaalsContact CE1-CG 3.48Å; F1118-R1128 HydrophobicContact CE2-CG 4.48Å; F1118-R1128 HydrophobicContact CZ-CG 3.77Å; F1118-K1129 WeakPolarHBondContact O-CE 3.44Å; F1118-K1129 PolarHBondContact O-NZ 3.36Å |
| 1119 | E | 73.1 | Confident | 76.9 | Confident | 95 Ų | 95 | 85.3 Ų | 85.3 | 44% | 0.444 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 152.2 | 174.4 | 62.7 | -179.6 | -166.5 | 0 | 0 | 111.5 | C1114 C1126 R1127 K1129 | C1114-E1119 VanDerWaalsContact SG-C 3.52Å; E1119-C1126 WeakPolarHBondContact O-CA 3.41Å; E1119-R1127 PolarHBondContact N-O 3.16Å; E1119-R1127 VanDerWaalsContact O-CG 3.29Å; E1119-R1127 WeakPolarHBondContact O-CG 3.22Å; E1119-R1127 PolarHBondContact O-N 2.87Å; E1119-R1127 VanDerWaalsContact O-O 3.09Å; E1119-K1129 HydrophobicContact CB-CD 4.48Å; E1119-K1129 HydrophobicContact CB-CG 3.72Å; E1119-K1129 HydrophobicContact CG-CG 3.74Å |
| 1120 | G | 83.1 | Confident | 76.3 | Confident | 44 Ų | 44 | 82.5 Ų | 82.5 | 45% | 0.454 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 145.2 | -165.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | C1114 E1125 | C1114-G1120 PolarHBondContact SG-N 2.92Å; C1114-G1120 VanDerWaalsContact SG-N 3.42Å; G1120-E1125 CarbonylContact C-O 3.54Å; G1120-E1125 WeakPolarHBondContact CA-O 3.49Å |
| 1121 | D | 77.2 | Confident | 75.4 | Confident | 73 Ų | 73 | 92 Ų | 92 | 39% | 0.39 | 44% | 0.437 | S | S | . | . | trans | -80.3 | -18.5 | -173.3 | 70.8 | -3.7 | 0 | 0 | 0 | 113.7 | Y1123 S1124 E1125 | D1121-Y1123 VanDerWaalsContact C-N 3.3Å; D1121-Y1123 VanDerWaalsContact O-CD2 3.3Å; D1121-Y1123 WeakPolarHBondContact O-CD2 3.4Å; D1121-Y1123 PolarHBondContact O-N 2.77Å; D1121-Y1123 PolarHBondContact OD1-N 3.21Å; D1121-S1124 PolarHBondContact OD1-N 3.38Å; D1121-S1124 PolarHBondContact OD2-N 2.93Å; D1121-S1124 PolarHBondContact OD2-OG 3.38Å; D1121-E1125 PolarHBondContact N-O 2.77Å; D1121-E1125 PolarHBondContact OD1-N 3.23Å; D1121-E1125 VanDerWaalsContact OD1-O 3.08Å | ||
| 1122 | G | 83 | Confident | 74.3 | Confident | 0 Ų | 0 | 89.6 Ų | 89.6 | 0% | 0 | 43% | 0.434 | C | S | . | . | S | Bend | trans | 87.4 | -19.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | C1101 H1102 A1105 C1112 C1126 | C1101-G1122 WeakPolarHBondContact CA-O 3.33Å; H1102-G1122 WeakPolarHBondContact CB-O 2.96Å; H1102-G1122 PolarHBondContact N-O 3.05Å; A1105-G1122 WeakPolarHBondContact CB-O 3.34Å; C1112-G1122 WeakPolarHBondContact CB-O 3.38Å; G1122-C1126 VanDerWaalsContact CA-SG 3.53Å |
| 1123 | Y | 82.9 | Confident | 73 | Confident | 101 Ų | 101 | 92.3 Ų | 92.3 | 40% | 0.396 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -107.2 | -49.6 | -171.6 | -66.6 | -94.2 | 0 | 0 | 0 | 112.5 | V1099 H1102 G1110 Y1111 C1112 D1121 | V1099-Y1123 HydrophobicContact CG1-CE1 3.76Å; H1102-Y1123 PolarHBondContact N-O 2.89Å; G1110-Y1123 PolarHBondContact O-OH 3.14Å; Y1111-Y1123 WeakPolarHBondContact CA-OH 3.01Å; C1112-Y1123 HydrophobicContact CB-CD1 4.26Å; C1112-Y1123 HydrophobicContact CB-CD2 3.96Å; C1112-Y1123 HydrophobicContact CB-CE1 4.18Å; C1112-Y1123 HydrophobicContact CB-CE2 3.83Å; C1112-Y1123 HydrophobicContact CB-CG 4.16Å; C1112-Y1123 PolarHBondContact N-OH 2.95Å; C1112-Y1123 VanDerWaalsContact SG-CD1 3.59Å; C1112-Y1123 WeakPolarHBondContact SG-CE1 3.37Å; D1121-Y1123 VanDerWaalsContact C-N 3.3Å; D1121-Y1123 VanDerWaalsContact O-CD2 3.3Å; D1121-Y1123 WeakPolarHBondContact O-CD2 3.4Å; D1121-Y1123 PolarHBondContact O-N 2.77Å; D1121-Y1123 PolarHBondContact OD1-N 3.21Å |
| 1124 | S | 78.9 | Confident | 72.5 | Confident | 93 Ų | 93 | 86.6 Ų | 86.6 | 65% | 0.65 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -119.2 | -19.5 | -175.4 | 74.6 | 0 | 0 | 0 | 0 | 113.8 | H1102 D1121 | H1102-S1124 VanDerWaalsContact CD2-C 3.48Å; H1102-S1124 PolarHBondContact CD2-O 2.62Å; H1102-S1124 VanDerWaalsContact CD2-O 3.31Å; D1121-S1124 PolarHBondContact OD1-N 3.38Å; D1121-S1124 PolarHBondContact OD2-N 2.93Å; D1121-S1124 PolarHBondContact OD2-OG 3.38Å |
| 1125 | E | 73.3 | Confident | 71.4 | Confident | 73 Ų | 73 | 88.2 Ų | 88.2 | 34% | 0.341 | 45% | 0.449 | S | S | . | . | trans | -144.3 | 119.1 | 178.3 | -173.3 | 173 | -145.9 | 0 | 0 | 110.7 | G1120 D1121 R1127 | G1120-E1125 CarbonylContact C-O 3.54Å; G1120-E1125 WeakPolarHBondContact CA-O 3.49Å; D1121-E1125 PolarHBondContact N-O 2.77Å; D1121-E1125 PolarHBondContact OD1-N 3.23Å; D1121-E1125 VanDerWaalsContact OD1-O 3.08Å; E1125-R1127 VanDerWaalsContact CD-CZ 3.47Å; E1125-R1127 HydrophobicContact CG-CG 4.21Å; E1125-R1127 WeakPolarHBondContact OE1-CD 3.03Å; E1125-R1127 IonicContact OE1-CZ 2.76Å; E1125-R1127 IonicContact OE1-NE 2.79Å; E1125-R1127 IonicContact OE1-NH1 2.7Å; E1125-R1127 PolarHBondContact OE1-NH1 3.39Å; E1125-R1127 IonicContact OE2-CZ 2.92Å; E1125-R1127 IonicContact OE2-NE 3.31Å; E1125-R1127 IonicContact OE2-NH1 3.62Å; E1125-R1127 PolarHBondContact OE2-NH1 2.8Å; E1125-R1127 IonicContact OE2-NH2 3.6Å; E1125-R1127 PolarHBondContact OE2-NH2 2.99Å | ||
| 1126 | C | 84.4 | Confident | 70.5 | Confident | 4 Ų | 4 | 92.7 Ų | 92.7 | 3% | 0.027 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 103.8 | 154.7 | -71.6 | 0 | 0 | 0 | 0 | 108.7 | H1102 N1104 C1114 F1118 E1119 G1122 | H1102-C1126 PolarHBondContact CE1-N 3.34Å; H1102-C1126 VanDerWaalsContact CE1-N 3.26Å; H1102-C1126 PolarHBondContact CE1-O 2.78Å; H1102-C1126 VanDerWaalsContact CE1-O 3.25Å; H1102-C1126 WeakPolarHBondContact ND1-CB 3Å; H1102-C1126 PolarHBondContact ND1-N 2.88Å; H1102-C1126 PolarHBondContact NE2-N 3.18Å; N1104-C1126 HydrophobicContact CB-CB 3.76Å; N1104-C1126 PolarHBondContact ND2-O 2.67Å; C1114-C1126 WeakPolarHBondContact CA-SG 3.02Å; C1114-C1126 HydrophobicContact CB-CB 3.88Å; C1114-C1126 WeakPolarHBondContact CB-SG 3.38Å; C1114-C1126 WeakPolarHBondContact SG-CB 3.46Å; C1114-C1126 CovalentContact SG-SG 2.04Å; C1114-C1126 PolarHBondContact SG-SG 2.86Å; F1118-C1126 HydrophobicContact CB-CB 4.21Å; F1118-C1126 WeakPolarHBondContact CD1-O 3.49Å; E1119-C1126 WeakPolarHBondContact O-CA 3.41Å; G1122-C1126 VanDerWaalsContact CA-SG 3.53Å |
| 1127 | R | 74.1 | Confident | 70.5 | Confident | 108 Ų | 108 | 86.7 Ų | 86.7 | 41% | 0.408 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 151.3 | 177.7 | 46.2 | -177 | 174 | -138 | -5.3 | 109.1 | F1118 E1119 E1125 K1129 | F1118-R1127 CarbonylContact C-O 3.47Å; F1118-R1127 VanDerWaalsContact CA-O 3.31Å; F1118-R1127 WeakPolarHBondContact CA-O 3.34Å; F1118-R1127 VanDerWaalsContact CD1-C 3.46Å; E1119-R1127 PolarHBondContact N-O 3.16Å; E1119-R1127 VanDerWaalsContact O-CG 3.29Å; E1119-R1127 WeakPolarHBondContact O-CG 3.22Å; E1119-R1127 PolarHBondContact O-N 2.87Å; E1119-R1127 VanDerWaalsContact O-O 3.09Å; E1125-R1127 VanDerWaalsContact CD-CZ 3.47Å; E1125-R1127 HydrophobicContact CG-CG 4.21Å; E1125-R1127 WeakPolarHBondContact OE1-CD 3.03Å; E1125-R1127 IonicContact OE1-CZ 2.76Å; E1125-R1127 IonicContact OE1-NE 2.79Å; E1125-R1127 IonicContact OE1-NH1 2.7Å; E1125-R1127 PolarHBondContact OE1-NH1 3.39Å; E1125-R1127 IonicContact OE2-CZ 2.92Å; E1125-R1127 IonicContact OE2-NE 3.31Å; E1125-R1127 IonicContact OE2-NH1 3.62Å; E1125-R1127 PolarHBondContact OE2-NH1 2.8Å; E1125-R1127 IonicContact OE2-NH2 3.6Å; E1125-R1127 PolarHBondContact OE2-NH2 2.99Å; R1127-K1129 PolarHBondContact O-N 3.32Å |
| 1128 | R | 68.2 | Low | 71.2 | Confident | 197 Ų | 197 | 92.1 Ų | 92.1 | 74% | 0.743 | 45% | 0.448 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57.8 | 135.1 | 177.8 | -70.7 | -171.9 | -167.3 | -170 | 3.6 | 109.1 | D1117 F1118 S1130 | D1117-R1128 CarbonylContact O-C 3.42Å; D1117-R1128 VanDerWaalsContact O-CA 3.28Å; D1117-R1128 WeakPolarHBondContact O-CA 3.34Å; F1118-R1128 HydrophobicContact CD1-CB 4.48Å; F1118-R1128 HydrophobicContact CD1-CG 4Å; F1118-R1128 HydrophobicContact CE1-CB 4.41Å; F1118-R1128 HydrophobicContact CE1-CG 3.48Å; F1118-R1128 VanDerWaalsContact CE1-CG 3.48Å; F1118-R1128 HydrophobicContact CE2-CG 4.48Å; F1118-R1128 HydrophobicContact CZ-CG 3.77Å; R1128-S1130 PolarHBondContact O-N 2.87Å |
| 1129 | K | 57.8 | Low | 71.5 | Confident | 112 Ų | 112 | 92 Ų | 92 | 49% | 0.487 | 45% | 0.451 | S | S | . | . | trans | -55.8 | 108.5 | 162.4 | -80.1 | 169.3 | 175.2 | 162.1 | 0 | 106.2 | D1117 F1118 E1119 R1127 E1131 | D1117-K1129 PolarHBondContact O-N 3.47Å; F1118-K1129 WeakPolarHBondContact O-CE 3.44Å; F1118-K1129 PolarHBondContact O-NZ 3.36Å; E1119-K1129 HydrophobicContact CB-CD 4.48Å; E1119-K1129 HydrophobicContact CB-CG 3.72Å; E1119-K1129 HydrophobicContact CG-CG 3.74Å; R1127-K1129 PolarHBondContact O-N 3.32Å; K1129-E1131 PolarHBondContact O-N 3.11Å | ||
| 1130 | S | 52 | Low | 72.3 | Confident | 56 Ų | 56 | 89.7 Ų | 89.7 | 39% | 0.392 | 44% | 0.44 | S | S | . | . | trans | -65.6 | 119.2 | 176.9 | -179 | 0 | 0 | 0 | 0 | 107.3 | R1128 D1132 A1135 | R1128-S1130 PolarHBondContact O-N 2.87Å; S1130-D1132 VanDerWaalsContact CB-O 3.24Å; S1130-D1132 WeakPolarHBondContact CB-O 3.44Å; S1130-D1132 CarbonylContact O-C 3.5Å; S1130-D1132 PolarHBondContact O-N 2.79Å; S1130-D1132 PolarHBondContact OG-N 3.3Å; S1130-D1132 PolarHBondContact OG-O 2.84Å; S1130-A1135 WeakPolarHBondContact OG-CB 3.17Å | ||
| 1131 | E | 52.1 | Low | 72.2 | Confident | 205 Ų | 205 | 92.4 Ų | 92.4 | 96% | 0.958 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -55.2 | -24 | 174 | -66 | -178.5 | 143.2 | 0 | 0 | 111.5 | K1129 P1133 | K1129-E1131 PolarHBondContact O-N 3.11Å; E1131-P1133 WeakPolarHBondContact O-CD 3.46Å |
| 1132 | D | 54 | Low | 72.6 | Confident | 89 Ų | 89 | 92 Ų | 92 | 48% | 0.476 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -97 | 101.7 | 161.9 | -175.8 | 2.3 | 0 | 0 | 0 | 111.1 | S1130 C1134 A1135 | S1130-D1132 VanDerWaalsContact CB-O 3.24Å; S1130-D1132 WeakPolarHBondContact CB-O 3.44Å; S1130-D1132 CarbonylContact O-C 3.5Å; S1130-D1132 PolarHBondContact O-N 2.79Å; S1130-D1132 PolarHBondContact OG-N 3.3Å; S1130-D1132 PolarHBondContact OG-O 2.84Å; D1132-C1134 PolarHBondContact O-N 2.97Å; D1132-C1134 WeakPolarHBondContact OD1-CB 3.01Å; D1132-C1134 PolarHBondContact OD1-N 2.83Å; D1132-A1135 WeakPolarHBondContact O-CB 3.41Å; D1132-A1135 PolarHBondContact O-N 3.03Å |
| 1133 | P | 61.2 | Low | 72.9 | Confident | 66 Ų | 66 | 92.3 Ų | 92.3 | 43% | 0.429 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -0.6 | 176.8 | 27.8 | -35.4 | 0 | 0 | 0 | 113.8 | E1131 I1137 | E1131-P1133 WeakPolarHBondContact O-CD 3.46Å; P1133-I1137 VanDerWaalsContact O-CD1 3.31Å; P1133-I1137 WeakPolarHBondContact O-CD1 3.03Å |
| 1134 | C | 73.7 | Confident | 72.9 | Confident | 27 Ų | 27 | 92.2 Ų | 92.2 | 18% | 0.182 | 45% | 0.451 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | -4.9 | 177.2 | -61.3 | 0 | 0 | 0 | 0 | 114.6 | D1132 R1136 I1137 C1145 | D1132-C1134 PolarHBondContact O-N 2.97Å; D1132-C1134 WeakPolarHBondContact OD1-CB 3.01Å; D1132-C1134 PolarHBondContact OD1-N 2.83Å; C1134-R1136 PolarHBondContact O-N 3.2Å; C1134-I1137 PolarHBondContact O-N 3.23Å; C1134-I1137 VanDerWaalsContact O-N 3.11Å; C1134-C1145 WeakPolarHBondContact CA-SG 3.46Å; C1134-C1145 HydrophobicContact CB-CB 3.51Å; C1134-C1145 WeakPolarHBondContact CB-SG 3.42Å; C1134-C1145 WeakPolarHBondContact SG-CB 3.41Å; C1134-C1145 CovalentContact SG-SG 2.02Å; C1134-C1145 PolarHBondContact SG-SG 2.81Å |
| 1135 | A | 64.3 | Low | 73.2 | Confident | 66 Ų | 66 | 89.1 Ų | 89.1 | 55% | 0.545 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -15.3 | -168.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | S1130 D1132 | S1130-A1135 WeakPolarHBondContact OG-CB 3.17Å; D1132-A1135 WeakPolarHBondContact O-CB 3.41Å; D1132-A1135 PolarHBondContact O-N 3.03Å |
| 1136 | R | 66 | Low | 73.3 | Confident | 197 Ų | 197 | 89.3 Ų | 89.3 | 74% | 0.743 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.7 | 4.1 | 176.2 | -63.8 | -176.4 | -177.1 | 169.6 | 0.5 | 114.5 | C1134 R1138 | C1134-R1136 PolarHBondContact O-N 3.2Å; R1136-R1138 PolarHBondContact O-N 2.85Å |
| 1137 | I | 75.5 | Confident | 72.6 | Confident | 56 Ų | 56 | 98.8 Ų | 98.8 | 29% | 0.287 | 47% | 0.467 | S | S | . | . | trans | -88.6 | 112.5 | -173.9 | -55.3 | -172.8 | 0 | 0 | 0 | 109.9 | P1133 C1134 C1139 G1148 C1150 Y1161 | P1133-I1137 VanDerWaalsContact O-CD1 3.31Å; P1133-I1137 WeakPolarHBondContact O-CD1 3.03Å; C1134-I1137 PolarHBondContact O-N 3.23Å; C1134-I1137 VanDerWaalsContact O-N 3.11Å; I1137-C1139 PolarHBondContact O-N 2.91Å; I1137-G1148 WeakPolarHBondContact CD1-O 3.01Å; I1137-C1150 WeakPolarHBondContact CG2-SG 3.41Å; I1137-Y1161 HydrophobicContact CG2-CE1 4.11Å | ||
| 1138 | R | 79.5 | Confident | 72.6 | Confident | 236 Ų | 236 | 94.4 Ų | 94.4 | 89% | 0.891 | 46% | 0.455 | S | S | * | . | trans | -86.6 | 95.2 | 172.7 | -77.4 | -168.6 | -81.5 | -167.4 | -4.9 | 110.3 | R1136 | R1136-R1138 PolarHBondContact O-N 2.85Š| ||
| 1139 | C | 88 | Confident | 73.1 | Confident | 34 Ų | 34 | 91.5 Ų | 91.5 | 23% | 0.23 | 45% | 0.448 | C | S | . | . | trans | -78.7 | 161.4 | 172.9 | -58.1 | 0 | 0 | 0 | 0 | 112.8 | I1137 A1143 C1150 | I1137-C1139 PolarHBondContact O-N 2.91Å; C1139-A1143 HydrophobicContact CB-CB 3.86Å; C1139-C1150 WeakPolarHBondContact CA-SG 3.33Å; C1139-C1150 HydrophobicContact CB-CB 3.67Å; C1139-C1150 WeakPolarHBondContact CB-SG 3.13Å; C1139-C1150 WeakPolarHBondContact SG-CA 3.35Å; C1139-C1150 WeakPolarHBondContact SG-CB 3.27Å; C1139-C1150 CovalentContact SG-SG 2.03Å; C1139-C1150 PolarHBondContact SG-SG 3.02Å | ||
| 1140 | H | 88.2 | Confident | 74.6 | Confident | 46 Ų | 46 | 86.6 Ų | 86.6 | 21% | 0.213 | 43% | 0.428 | C | S | . | . | trans | -55.4 | 149.1 | 170.1 | -167.2 | -108.2 | 0 | 0 | 0 | 111 | Q1142 A1143 G1160 Y1161 W1162 C1164 | H1140-Q1142 VanDerWaalsContact C-N 3.27Å; H1140-Q1142 PolarHBondContact CE1-OE1 2.81Å; H1140-Q1142 PolarHBondContact ND1-OE1 3.5Å; H1140-Q1142 VanDerWaalsContact ND1-OE1 3.15Å; H1140-Q1142 PolarHBondContact O-N 2.98Å; H1140-Q1142 VanDerWaalsContact O-N 3.13Å; H1140-A1143 HydrophobicContact CB-CB 4.17Å; H1140-A1143 WeakPolarHBondContact O-CA 3.3Å; H1140-A1143 WeakPolarHBondContact O-CB 3.44Å; H1140-A1143 PolarHBondContact O-N 2.88Å; H1140-G1160 VanDerWaalsContact CB-O 3.29Å; H1140-G1160 WeakPolarHBondContact CB-O 3.42Å; H1140-G1160 PolarHBondContact N-O 2.72Å; H1140-Y1161 PolarHBondContact N-O 2.86Å; H1140-W1162 VanDerWaalsContact CD2-C 3.45Å; H1140-W1162 PolarHBondContact CD2-O 3.04Å; H1140-W1162 PolarHBondContact NE2-O 2.68Å; H1140-C1164 PolarHBondContact ND1-N 2.8Å | ||
| 1141 | P | 81.3 | Confident | 76 | Confident | 101 Ų | 101 | 91.6 Ų | 91.6 | 66% | 0.656 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -33.5 | -175.5 | -29.3 | 37.2 | 0 | 0 | 0 | 115.1 | A1143 K1153 | P1141-A1143 VanDerWaalsContact C-N 3.34Å; P1141-K1153 PolarHBondContact O-NZ 3.18Å |
| 1142 | Q | 86.8 | Confident | 77.6 | Confident | 66 Ų | 66 | 83.1 Ų | 83.1 | 31% | 0.308 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 19.1 | 172.6 | -52.6 | 104.5 | -7.1 | 0 | 0 | 114.4 | H1140 K1153 Y1156 C1164 | H1140-Q1142 VanDerWaalsContact C-N 3.27Å; H1140-Q1142 PolarHBondContact CE1-OE1 2.81Å; H1140-Q1142 PolarHBondContact ND1-OE1 3.5Å; H1140-Q1142 VanDerWaalsContact ND1-OE1 3.15Å; H1140-Q1142 PolarHBondContact O-N 2.98Å; H1140-Q1142 VanDerWaalsContact O-N 3.13Å; Q1142-K1153 WeakPolarHBondContact O-CB 3.46Å; Q1142-K1153 WeakPolarHBondContact O-CG 3.31Å; Q1142-K1153 PolarHBondContact O-N 3.43Å; Q1142-Y1156 HydrophobicContact CB-CD1 3.72Å; Q1142-Y1156 HydrophobicContact CB-CD2 4.09Å; Q1142-Y1156 HydrophobicContact CB-CE1 3.82Å; Q1142-Y1156 HydrophobicContact CB-CE2 4.19Å; Q1142-Y1156 HydrophobicContact CB-CG 3.89Å; Q1142-Y1156 HydrophobicContact CG-CD1 4.02Å; Q1142-Y1156 HydrophobicContact CG-CE1 3.57Å; Q1142-Y1156 HydrophobicContact CG-CE2 4.21Å; Q1142-C1164 HydrophobicContact CB-CB 4.11Å; Q1142-C1164 PolarHBondContact OE1-O 2.6Å |
| 1143 | A | 89 | Confident | 78.8 | Confident | 6 Ų | 6 | 83.2 Ų | 83.2 | 5% | 0.05 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 161.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | C1139 H1140 P1141 C1150 R1151 K1153 G1160 | C1139-A1143 HydrophobicContact CB-CB 3.86Å; H1140-A1143 HydrophobicContact CB-CB 4.17Å; H1140-A1143 WeakPolarHBondContact O-CA 3.3Å; H1140-A1143 WeakPolarHBondContact O-CB 3.44Å; H1140-A1143 PolarHBondContact O-N 2.88Å; P1141-A1143 VanDerWaalsContact C-N 3.34Å; A1143-C1150 HydrophobicContact CB-CB 4.4Å; A1143-R1151 CarbonylContact C-O 3.33Å; A1143-R1151 WeakPolarHBondContact CA-O 3.44Å; A1143-R1151 WeakPolarHBondContact CB-O 3.43Å; A1143-K1153 WeakPolarHBondContact O-CE 3.45Å; A1143-K1153 PolarHBondContact O-NZ 3.37Å; A1143-K1153 VanDerWaalsContact O-NZ 3.09Å; A1143-G1160 WeakPolarHBondContact CB-O 3.47Å |
| 1144 | Q | 83.6 | Confident | 79.3 | Confident | 99 Ų | 99 | 88.2 Ų | 88.2 | 46% | 0.463 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 136.3 | 172.9 | 161.9 | 172.8 | -42.9 | 0 | 0 | 106.9 | E1146 R1151 K1153 | Q1144-E1146 PolarHBondContact NE2-OE1 2.91Å; Q1144-R1151 PolarHBondContact N-O 3.42Å; Q1144-R1151 PolarHBondContact O-N 2.78Å; Q1144-K1153 HydrophobicContact CB-CG 4.14Å |
| 1145 | C | 84.8 | Confident | 78.5 | Confident | 27 Ų | 27 | 88.6 Ų | 88.6 | 18% | 0.182 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 133.2 | 168.7 | 177.3 | 0 | 0 | 0 | 0 | 109.5 | C1134 F1149 | C1134-C1145 WeakPolarHBondContact CA-SG 3.46Å; C1134-C1145 HydrophobicContact CB-CB 3.51Å; C1134-C1145 WeakPolarHBondContact CB-SG 3.42Å; C1134-C1145 WeakPolarHBondContact SG-CB 3.41Å; C1134-C1145 CovalentContact SG-SG 2.02Å; C1134-C1145 PolarHBondContact SG-SG 2.81Å; C1145-F1149 WeakPolarHBondContact CA-O 3.27Å |
| 1146 | E | 75.6 | Confident | 79.3 | Confident | 78 Ų | 78 | 89 Ų | 89 | 36% | 0.364 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 120.6 | 178.7 | -133.7 | 171.2 | -134.7 | 0 | 0 | 107.8 | Q1144 G1148 F1149 | Q1144-E1146 PolarHBondContact NE2-OE1 2.91Å; E1146-G1148 PolarHBondContact O-N 2.9Å; E1146-G1148 VanDerWaalsContact O-N 3.13Å; E1146-F1149 PolarHBondContact N-O 2.83Å; E1146-F1149 PolarHBondContact O-N 2.98Å |
| 1147 | Y | 69.6 | Low | 79.1 | Confident | 202 Ų | 202 | 87.4 Ų | 87.4 | 79% | 0.792 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 35.4 | -177.2 | -55.7 | -80.1 | 0 | 0 | 0 | 114.8 | F1149 | Y1147-F1149 WeakPolarHBondContact O-CD2 3.34Š|
| 1148 | G | 72.8 | Confident | 79.5 | Confident | 16 Ų | 16 | 86.7 Ų | 86.7 | 17% | 0.165 | 42% | 0.422 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.3 | 4.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | I1137 E1146 | I1137-G1148 WeakPolarHBondContact CD1-O 3.01Å; E1146-G1148 PolarHBondContact O-N 2.9Å; E1146-G1148 VanDerWaalsContact O-N 3.13Å |
| 1149 | F | 79.8 | Confident | 79.3 | Confident | 137 Ų | 137 | 79.2 Ų | 79.2 | 60% | 0.601 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 134.6 | 176.9 | -66 | -85.7 | 0 | 0 | 0 | 111.5 | C1145 E1146 Y1147 R1151 | C1145-F1149 WeakPolarHBondContact CA-O 3.27Å; E1146-F1149 PolarHBondContact N-O 2.83Å; E1146-F1149 PolarHBondContact O-N 2.98Å; Y1147-F1149 WeakPolarHBondContact O-CD2 3.34Å; F1149-R1151 PolarHBondContact O-N 3.28Å |
| 1150 | C | 88.8 | Confident | 79.1 | Confident | 8 Ų | 8 | 77.6 Ų | 77.6 | 5% | 0.054 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 115.6 | 170.4 | -62 | 0 | 0 | 0 | 0 | 110 | I1137 C1139 A1143 G1160 Y1161 | I1137-C1150 WeakPolarHBondContact CG2-SG 3.41Å; C1139-C1150 WeakPolarHBondContact CA-SG 3.33Å; C1139-C1150 HydrophobicContact CB-CB 3.67Å; C1139-C1150 WeakPolarHBondContact CB-SG 3.13Å; C1139-C1150 WeakPolarHBondContact SG-CA 3.35Å; C1139-C1150 WeakPolarHBondContact SG-CB 3.27Å; C1139-C1150 CovalentContact SG-SG 2.03Å; C1139-C1150 PolarHBondContact SG-SG 3.02Å; A1143-C1150 HydrophobicContact CB-CB 4.4Å; C1150-G1160 VanDerWaalsContact CB-C 3.41Å; C1150-G1160 WeakPolarHBondContact CB-O 3.39Å; C1150-Y1161 HydrophobicContact CB-CD1 4.18Å; C1150-Y1161 HydrophobicContact CB-CD2 4.24Å; C1150-Y1161 HydrophobicContact CB-CE1 4.12Å; C1150-Y1161 HydrophobicContact CB-CE2 4.16Å; C1150-Y1161 HydrophobicContact CB-CG 4.23Å; C1150-Y1161 VanDerWaalsContact SG-CE1 3.54Å |
| 1151 | R | 81.3 | Confident | 79 | Confident | 162 Ų | 162 | 79.6 Ų | 79.6 | 61% | 0.611 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 133.9 | 172.1 | -69.2 | -174 | 167.1 | -145.7 | -5.3 | 109.8 | A1143 Q1144 F1149 K1153 | A1143-R1151 CarbonylContact C-O 3.33Å; A1143-R1151 WeakPolarHBondContact CA-O 3.44Å; A1143-R1151 WeakPolarHBondContact CB-O 3.43Å; Q1144-R1151 PolarHBondContact N-O 3.42Å; Q1144-R1151 PolarHBondContact O-N 2.78Å; F1149-R1151 PolarHBondContact O-N 3.28Å; R1151-K1153 PolarHBondContact O-N 2.95Å |
| 1152 | C | 84.9 | Confident | 78.9 | Confident | 26 Ų | 26 | 85.5 Ų | 85.5 | 18% | 0.176 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.7 | 134.5 | 172.1 | -63.2 | 0 | 0 | 0 | 0 | 110.3 | Y1156 G1158 C1164 | C1152-Y1156 WeakPolarHBondContact CB-O 3.48Å; C1152-G1158 PolarHBondContact SG-N 2.83Å; C1152-G1158 VanDerWaalsContact SG-N 3.35Å; C1152-C1164 WeakPolarHBondContact CA-SG 3.45Å; C1152-C1164 HydrophobicContact CB-CB 3.86Å; C1152-C1164 WeakPolarHBondContact CB-SG 3.33Å; C1152-C1164 VanDerWaalsContact SG-CA 3.53Å; C1152-C1164 WeakPolarHBondContact SG-CB 3.28Å; C1152-C1164 CovalentContact SG-SG 2.04Å; C1152-C1164 PolarHBondContact SG-SG 3.36Å |
| 1153 | K | 80.6 | Confident | 78.2 | Confident | 91 Ų | 91 | 85.3 Ų | 85.3 | 40% | 0.396 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -61 | 154.9 | 179.8 | -71.2 | 166.5 | 177.8 | 148.9 | 0 | 109.8 | P1141 Q1142 A1143 Q1144 R1151 G1155 Y1156 | P1141-K1153 PolarHBondContact O-NZ 3.18Å; Q1142-K1153 WeakPolarHBondContact O-CB 3.46Å; Q1142-K1153 WeakPolarHBondContact O-CG 3.31Å; Q1142-K1153 PolarHBondContact O-N 3.43Å; A1143-K1153 WeakPolarHBondContact O-CE 3.45Å; A1143-K1153 PolarHBondContact O-NZ 3.37Å; A1143-K1153 VanDerWaalsContact O-NZ 3.09Å; Q1144-K1153 HydrophobicContact CB-CG 4.14Å; R1151-K1153 PolarHBondContact O-N 2.95Å; K1153-G1155 PolarHBondContact O-N 2.91Å; K1153-Y1156 WeakPolarHBondContact O-CB 3.37Å; K1153-Y1156 PolarHBondContact O-N 2.88Å |
| 1154 | N | 70.4 | Confident | 77.9 | Confident | 172 Ų | 172 | 85.3 Ų | 85.3 | 92% | 0.92 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.8 | 130.7 | 176.1 | -79.1 | -32.9 | 0 | 0 | 0 | 111.1 | ||
| 1155 | G | 58.3 | Low | 77.2 | Confident | 34 Ų | 34 | 86.3 Ų | 86.3 | 35% | 0.351 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.4 | 12.4 | -169.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | K1153 P1166 I1167 | K1153-G1155 PolarHBondContact O-N 2.91Å; G1155-P1166 CarbonylContact O-C 3.56Å; G1155-P1166 WeakPolarHBondContact O-CA 3.25Å; G1155-I1167 VanDerWaalsContact C-N 3.33Å; G1155-I1167 PolarHBondContact O-N 3.33Å |
| 1156 | Y | 79.8 | Confident | 75.8 | Confident | 75 Ų | 75 | 89.6 Ų | 89.6 | 29% | 0.294 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 145.3 | 173.9 | -66 | -100.2 | 0 | 0 | 0 | 113.3 | Q1142 C1152 K1153 C1164 Q1165 P1166 I1167 | Q1142-Y1156 HydrophobicContact CB-CD1 3.72Å; Q1142-Y1156 HydrophobicContact CB-CD2 4.09Å; Q1142-Y1156 HydrophobicContact CB-CE1 3.82Å; Q1142-Y1156 HydrophobicContact CB-CE2 4.19Å; Q1142-Y1156 HydrophobicContact CB-CG 3.89Å; Q1142-Y1156 HydrophobicContact CG-CD1 4.02Å; Q1142-Y1156 HydrophobicContact CG-CE1 3.57Å; Q1142-Y1156 HydrophobicContact CG-CE2 4.21Å; C1152-Y1156 WeakPolarHBondContact CB-O 3.48Å; K1153-Y1156 WeakPolarHBondContact O-CB 3.37Å; K1153-Y1156 PolarHBondContact O-N 2.88Å; Y1156-C1164 HydrophobicContact CD1-CB 4.38Å; Y1156-Q1165 CarbonylContact C-O 3.58Å; Y1156-Q1165 WeakPolarHBondContact CA-O 3.45Å; Y1156-P1166 HydrophobicContact CD1-CB 4.44Å; Y1156-P1166 HydrophobicContact CD1-CG 4.12Å; Y1156-P1166 HydrophobicContact CE1-CB 4.26Å; Y1156-P1166 HydrophobicContact CE1-CG 3.66Å; Y1156-I1167 VanDerWaalsContact C-CD1 3.42Å; Y1156-I1167 VanDerWaalsContact C-CG1 3.46Å; Y1156-I1167 WeakPolarHBondContact O-CD1 3.48Å |
| 1157 | K | 62.2 | Low | 75 | Confident | 163 Ų | 163 | 90.1 Ų | 90.1 | 71% | 0.709 | 44% | 0.435 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 141.3 | 177.2 | -178.4 | -178.6 | -179.2 | -174.7 | 0 | 110.2 | Q1165 I1167 | K1157-Q1165 PolarHBondContact N-O 3.32Å; K1157-Q1165 PolarHBondContact O-N 3.16Å; K1157-I1167 HydrophobicContact CB-CD1 4.06Å; K1157-I1167 HydrophobicContact CB-CG1 3.69Å |
| 1158 | G | 84.7 | Confident | 74 | Confident | 42 Ų | 42 | 86.1 Ų | 86.1 | 43% | 0.433 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 161.6 | -164.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | C1152 N1163 | C1152-G1158 PolarHBondContact SG-N 2.83Å; C1152-G1158 VanDerWaalsContact SG-N 3.35Å; G1158-N1163 CarbonylContact C-O 3.49Å; G1158-N1163 VanDerWaalsContact CA-O 3.28Å; G1158-N1163 WeakPolarHBondContact CA-O 3.35Å |
| 1159 | D | 76 | Confident | 72.5 | Confident | 79 Ų | 79 | 88.6 Ų | 88.6 | 42% | 0.422 | 44% | 0.438 | S | S | . | . | trans | -79.5 | -16.3 | 179.8 | 62.7 | 31.8 | 0 | 0 | 0 | 113.7 | Y1161 W1162 N1163 | D1159-Y1161 WeakPolarHBondContact O-CD2 3.44Å; D1159-Y1161 PolarHBondContact O-N 2.84Å; D1159-Y1161 PolarHBondContact OD1-N 2.59Å; D1159-W1162 PolarHBondContact OD1-N 2.84Å; D1159-N1163 PolarHBondContact N-O 3.48Å; D1159-N1163 PolarHBondContact OD1-N 3.29Å | ||
| 1160 | G | 83.5 | Confident | 70.9 | Confident | 0 Ų | 0 | 87.7 Ų | 87.7 | 0% | 0 | 44% | 0.44 | C | S | . | . | S | Bend | trans | 81.4 | -24.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | H1140 A1143 C1150 N1163 | H1140-G1160 VanDerWaalsContact CB-O 3.29Å; H1140-G1160 WeakPolarHBondContact CB-O 3.42Å; H1140-G1160 PolarHBondContact N-O 2.72Å; A1143-G1160 WeakPolarHBondContact CB-O 3.47Å; C1150-G1160 VanDerWaalsContact CB-C 3.41Å; C1150-G1160 WeakPolarHBondContact CB-O 3.39Å; G1160-N1163 PolarHBondContact N-O 2.86Å |
| 1161 | Y | 85.9 | Confident | 69.2 | Low | 88 Ų | 88 | 93 Ų | 93 | 35% | 0.345 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -89.4 | -50.7 | -177 | -68.9 | -85.2 | 0 | 0 | 0 | 111.8 | I1137 H1140 C1150 D1159 | I1137-Y1161 HydrophobicContact CG2-CE1 4.11Å; H1140-Y1161 PolarHBondContact N-O 2.86Å; C1150-Y1161 HydrophobicContact CB-CD1 4.18Å; C1150-Y1161 HydrophobicContact CB-CD2 4.24Å; C1150-Y1161 HydrophobicContact CB-CE1 4.12Å; C1150-Y1161 HydrophobicContact CB-CE2 4.16Å; C1150-Y1161 HydrophobicContact CB-CG 4.23Å; C1150-Y1161 VanDerWaalsContact SG-CE1 3.54Å; D1159-Y1161 WeakPolarHBondContact O-CD2 3.44Å; D1159-Y1161 PolarHBondContact O-N 2.84Å; D1159-Y1161 PolarHBondContact OD1-N 2.59Å |
| 1162 | W | 79 | Confident | 67.8 | Low | 224 Ų | 224 | 86.5 Ų | 86.5 | 85% | 0.848 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -121.6 | -16.6 | -176.1 | -56.3 | 111 | 0 | 0 | 0 | 113.1 | H1140 D1159 | H1140-W1162 VanDerWaalsContact CD2-C 3.45Å; H1140-W1162 PolarHBondContact CD2-O 3.04Å; H1140-W1162 PolarHBondContact NE2-O 2.68Å; D1159-W1162 PolarHBondContact OD1-N 2.84Å |
| 1163 | N | 71.8 | Confident | 66.4 | Low | 63 Ų | 63 | 95.3 Ų | 95.3 | 34% | 0.337 | 48% | 0.475 | S | S | . | . | trans | -143 | 125.1 | -173.9 | -174.1 | 14 | 0 | 0 | 0 | 112 | G1158 D1159 G1160 Q1165 | G1158-N1163 CarbonylContact C-O 3.49Å; G1158-N1163 VanDerWaalsContact CA-O 3.28Å; G1158-N1163 WeakPolarHBondContact CA-O 3.35Å; D1159-N1163 PolarHBondContact N-O 3.48Å; D1159-N1163 PolarHBondContact OD1-N 3.29Å; G1160-N1163 PolarHBondContact N-O 2.86Å; N1163-Q1165 WeakPolarHBondContact OD1-CG 3.41Å; N1163-Q1165 PolarHBondContact OD1-NE2 2.88Å | ||
| 1164 | C | 82 | Confident | 65.2 | Low | 6 Ų | 6 | 95.2 Ų | 95.2 | 4% | 0.041 | 49% | 0.492 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 117.8 | 163 | -72.1 | 0 | 0 | 0 | 0 | 109.7 | H1140 Q1142 C1152 Y1156 | H1140-C1164 PolarHBondContact ND1-N 2.8Å; Q1142-C1164 HydrophobicContact CB-CB 4.11Å; Q1142-C1164 PolarHBondContact OE1-O 2.6Å; C1152-C1164 WeakPolarHBondContact CA-SG 3.45Å; C1152-C1164 HydrophobicContact CB-CB 3.86Å; C1152-C1164 WeakPolarHBondContact CB-SG 3.33Å; C1152-C1164 VanDerWaalsContact SG-CA 3.53Å; C1152-C1164 WeakPolarHBondContact SG-CB 3.28Å; C1152-C1164 CovalentContact SG-SG 2.04Å; C1152-C1164 PolarHBondContact SG-SG 3.36Å; Y1156-C1164 HydrophobicContact CD1-CB 4.38Å |
| 1165 | Q | 69.3 | Low | 64.6 | Low | 120 Ų | 120 | 91.3 Ų | 91.3 | 56% | 0.561 | 47% | 0.468 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 145.6 | -178 | -52.7 | -173.5 | -4.9 | 0 | 0 | 110.5 | Y1156 K1157 N1163 I1167 | Y1156-Q1165 CarbonylContact C-O 3.58Å; Y1156-Q1165 WeakPolarHBondContact CA-O 3.45Å; K1157-Q1165 PolarHBondContact N-O 3.32Å; K1157-Q1165 PolarHBondContact O-N 3.16Å; N1163-Q1165 WeakPolarHBondContact OD1-CG 3.41Å; N1163-Q1165 PolarHBondContact OD1-NE2 2.88Å; Q1165-I1167 PolarHBondContact O-N 3.17Å |
| 1166 | P | 55.4 | Low | 64.9 | Low | 95 Ų | 95 | 98.1 Ų | 98.1 | 62% | 0.617 | 49% | 0.491 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57.6 | 124.2 | -174.5 | -24.7 | 32.4 | 0 | 0 | 0 | 114.5 | G1155 Y1156 | G1155-P1166 CarbonylContact O-C 3.56Å; G1155-P1166 WeakPolarHBondContact O-CA 3.25Å; Y1156-P1166 HydrophobicContact CD1-CB 4.44Å; Y1156-P1166 HydrophobicContact CD1-CG 4.12Å; Y1156-P1166 HydrophobicContact CE1-CB 4.26Å; Y1156-P1166 HydrophobicContact CE1-CG 3.66Å |
| 1167 | I | 59 | Low | 64.8 | Low | 90 Ų | 90 | 96.4 Ų | 96.4 | 46% | 0.462 | 49% | 0.489 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 124.2 | 159.8 | -65.1 | 164.8 | 0 | 0 | 0 | 106.6 | G1155 Y1156 K1157 Q1165 S1169 | G1155-I1167 VanDerWaalsContact C-N 3.33Å; G1155-I1167 PolarHBondContact O-N 3.33Å; Y1156-I1167 VanDerWaalsContact C-CD1 3.42Å; Y1156-I1167 VanDerWaalsContact C-CG1 3.46Å; Y1156-I1167 WeakPolarHBondContact O-CD1 3.48Å; K1157-I1167 HydrophobicContact CB-CD1 4.06Å; K1157-I1167 HydrophobicContact CB-CG1 3.69Å; Q1165-I1167 PolarHBondContact O-N 3.17Å; I1167-S1169 PolarHBondContact O-N 3.17Å |
| 1168 | Q | 49.6 | Very low | 65.7 | Low | 117 Ų | 117 | 90.8 Ų | 90.8 | 55% | 0.547 | 47% | 0.465 | S | S | . | . | P | Polyproline II helix | trans | -57.6 | 137.7 | -176.4 | -72.4 | 175.4 | -57.1 | 0 | 0 | 112.2 | C1183 | Q1168-C1183 PolarHBondContact NE2-O 2.95Š|
| 1169 | S | 40.9 | Very low | 64.9 | Low | 68 Ų | 68 | 95.9 Ų | 95.9 | 48% | 0.476 | 48% | 0.478 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 155.5 | -162.2 | 55.9 | 0 | 0 | 0 | 0 | 116.2 | I1167 L1171 C1172 | I1167-S1169 PolarHBondContact O-N 3.17Å; S1169-L1171 PolarHBondContact O-N 3.34Å; S1169-C1172 WeakPolarHBondContact O-CB 3.38Å; S1169-C1172 PolarHBondContact O-N 3Å |
| 1170 | D | 46.7 | Very low | 64.9 | Low | 119 Ų | 119 | 93.9 Ų | 93.9 | 64% | 0.636 | 47% | 0.465 | S | S | * | . | G | 310 helix | trans | -49.1 | -21.1 | 176.6 | -91.7 | -61.9 | 0 | 0 | 0 | 115.7 | C1172 R1173 | D1170-C1172 PolarHBondContact O-N 3.28Å; D1170-R1173 WeakPolarHBondContact O-CB 3.39Å; D1170-R1173 PolarHBondContact O-N 3.34Å; D1170-R1173 WeakPolarHBondContact OD1-CD 3.27Å; D1170-R1173 IonicContact OD1-CZ 3.53Å; D1170-R1173 IonicContact OD1-NH1 2.75Å; D1170-R1173 PolarHBondContact OD1-NH1 3.25Å; D1170-R1173 VanDerWaalsContact OD1-NH1 3.08Å |
| 1171 | L | 51.3 | Low | 64.8 | Low | 119 Ų | 119 | 94.6 Ų | 94.6 | 62% | 0.623 | 47% | 0.471 | S | S | * | . | G | 310 helix | trans | -59.6 | -17.5 | 174.2 | -161 | 64.4 | 0 | 0 | 0 | 112.9 | S1169 | S1169-L1171 PolarHBondContact O-N 3.34Š|
| 1172 | C | 53.5 | Low | 64.5 | Low | 25 Ų | 25 | 96.4 Ų | 96.4 | 17% | 0.169 | 48% | 0.477 | C | S | . | . | G | 310 helix | trans | -94.7 | -2.4 | 176.1 | -58.5 | 0 | 0 | 0 | 0 | 114 | S1169 D1170 A1174 E1175 C1183 | S1169-C1172 WeakPolarHBondContact O-CB 3.38Å; S1169-C1172 PolarHBondContact O-N 3Å; D1170-C1172 PolarHBondContact O-N 3.28Å; C1172-A1174 PolarHBondContact O-N 3.06Å; C1172-A1174 VanDerWaalsContact O-N 3.15Å; C1172-E1175 PolarHBondContact O-N 2.81Å; C1172-C1183 HydrophobicContact CB-CB 3.58Å; C1172-C1183 WeakPolarHBondContact CB-SG 3.36Å; C1172-C1183 WeakPolarHBondContact SG-CB 2.91Å; C1172-C1183 CovalentContact SG-SG 2.03Å; C1172-C1183 PolarHBondContact SG-SG 3.23Å |
| 1173 | R | 55.7 | Low | 64.4 | Low | 211 Ų | 211 | 86.3 Ų | 86.3 | 80% | 0.796 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -15.3 | -169.3 | -174.5 | 166.8 | 175.1 | 170.4 | 0.1 | 115 | D1170 | D1170-R1173 WeakPolarHBondContact O-CB 3.39Å; D1170-R1173 PolarHBondContact O-N 3.34Å; D1170-R1173 WeakPolarHBondContact OD1-CD 3.27Å; D1170-R1173 IonicContact OD1-CZ 3.53Å; D1170-R1173 IonicContact OD1-NH1 2.75Å; D1170-R1173 PolarHBondContact OD1-NH1 3.25Å; D1170-R1173 VanDerWaalsContact OD1-NH1 3.08Å |
| 1174 | A | 55.4 | Low | 64.5 | Low | 90 Ų | 90 | 85.5 Ų | 85.5 | 74% | 0.744 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.9 | -7.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | C1172 | C1172-A1174 PolarHBondContact O-N 3.06Å; C1172-A1174 VanDerWaalsContact O-N 3.15Å |
| 1175 | E | 55.8 | Low | 63.8 | Low | 90 Ų | 90 | 93.5 Ų | 93.5 | 42% | 0.421 | 48% | 0.475 | S | S | . | . | trans | -98.4 | 110 | -171.6 | -67.6 | -60 | 162.3 | 0 | 0 | 111.6 | C1172 C1177 Y1199 | C1172-E1175 PolarHBondContact O-N 2.81Å; E1175-C1177 PolarHBondContact O-N 2.91Å; E1175-C1177 VanDerWaalsContact O-N 3.12Å; E1175-Y1199 HydrophobicContact CB-CE1 4.31Å; E1175-Y1199 HydrophobicContact CG-CE1 4.34Å; E1175-Y1199 VanDerWaalsContact OE2-CE1 3.25Å; E1175-Y1199 WeakPolarHBondContact OE2-CE1 3.27Å | ||
| 1176 | Q | 64.6 | Low | 63.7 | Low | 177 Ų | 177 | 88.5 Ų | 88.5 | 83% | 0.827 | 46% | 0.456 | S | S | * | . | trans | -78.5 | 92 | 173.1 | -70.8 | 179.3 | -13.5 | 0 | 0 | 109.3 | ||||
| 1177 | C | 78.9 | Confident | 64.9 | Low | 38 Ų | 38 | 91.9 Ų | 91.9 | 26% | 0.257 | 46% | 0.456 | S | S | . | . | trans | -68.3 | 150.1 | 171.2 | -58.8 | 0 | 0 | 0 | 0 | 111.7 | E1175 A1181 C1188 | E1175-C1177 PolarHBondContact O-N 2.91Å; E1175-C1177 VanDerWaalsContact O-N 3.12Å; C1177-A1181 HydrophobicContact CB-CB 4.17Å; C1177-C1188 WeakPolarHBondContact CA-SG 3.28Å; C1177-C1188 HydrophobicContact CB-CB 3.68Å; C1177-C1188 WeakPolarHBondContact CB-SG 3.2Å; C1177-C1188 WeakPolarHBondContact SG-CB 3.32Å; C1177-C1188 CovalentContact SG-SG 2.03Å; C1177-C1188 PolarHBondContact SG-SG 2.92Å | ||
| 1178 | H | 80.5 | Confident | 66.1 | Low | 46 Ų | 46 | 87.7 Ų | 87.7 | 21% | 0.213 | 44% | 0.435 | C | S | . | . | trans | -58 | 148.7 | 169 | -174.1 | -98.5 | 0 | 0 | 0 | 110.2 | F1180 A1181 G1198 Y1199 Q1200 C1202 | H1178-F1180 AromaticContact CE1-CD2 3.84Å; H1178-F1180 PolarHBondContact ND1-N 3.38Å; H1178-F1180 PolarHBondContact O-N 3.18Å; H1178-A1181 HydrophobicContact CB-CB 4.28Å; H1178-A1181 WeakPolarHBondContact O-CA 3.36Å; H1178-A1181 WeakPolarHBondContact O-CB 3.31Å; H1178-A1181 PolarHBondContact O-N 3.08Å; H1178-G1198 WeakPolarHBondContact CB-O 3.43Å; H1178-G1198 PolarHBondContact N-O 3.03Å; H1178-Y1199 PolarHBondContact N-O 3.01Å; H1178-Q1200 PolarHBondContact CD2-O 2.79Å; H1178-C1202 PolarHBondContact CE1-N 2.77Å; H1178-C1202 PolarHBondContact CE1-O 2.95Å; H1178-C1202 WeakPolarHBondContact ND1-CB 3.47Å; H1178-C1202 PolarHBondContact ND1-N 3.37Å | ||
| 1179 | Q | 68.2 | Low | 67.5 | Low | 149 Ų | 149 | 90.2 Ų | 90.2 | 70% | 0.696 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -27.7 | -173.9 | 69 | -173.8 | 27.4 | 0 | 0 | 114.4 | ||
| 1180 | F | 75.8 | Confident | 69.5 | Low | 36 Ų | 36 | 88.2 Ų | 88.2 | 16% | 0.158 | 43% | 0.425 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 33.2 | 174.6 | -53.1 | -49.8 | 0 | 0 | 0 | 112.9 | H1178 C1190 L1191 Y1194 C1202 D1212 | H1178-F1180 AromaticContact CE1-CD2 3.84Å; H1178-F1180 PolarHBondContact ND1-N 3.38Å; H1178-F1180 PolarHBondContact O-N 3.18Å; F1180-C1190 CarbonylContact O-C 3.59Å; F1180-C1190 WeakPolarHBondContact O-CA 3.3Å; F1180-L1191 PolarHBondContact O-N 2.99Å; F1180-Y1194 HydrophobicContact CB-CD1 3.77Å; F1180-Y1194 HydrophobicContact CB-CD2 4.16Å; F1180-Y1194 HydrophobicContact CB-CE1 3.74Å; F1180-Y1194 HydrophobicContact CB-CE2 4.14Å; F1180-Y1194 HydrophobicContact CB-CG 3.98Å; F1180-Y1194 HydrophobicContact CD1-CE1 4.13Å; F1180-Y1194 HydrophobicContact CD1-CE2 4.34Å; F1180-Y1194 AromaticContact CD1-CZ 3.77Å; F1180-Y1194 AromaticContact CD2-CD1 3.84Å; F1180-Y1194 HydrophobicContact CD2-CD1 3.84Å; F1180-Y1194 AromaticContact CD2-CE1 3.19Å; F1180-Y1194 HydrophobicContact CD2-CE1 3.19Å; F1180-Y1194 AromaticContact CD2-CZ 3.71Å; F1180-Y1194 WeakPolarHBondContact CE1-OH 3.41Å; F1180-Y1194 AromaticContact CE2-CE1 3.72Å; F1180-Y1194 HydrophobicContact CE2-CE1 3.72Å; F1180-Y1194 AromaticContact CG-CD1 3.99Å; F1180-Y1194 HydrophobicContact CG-CD1 3.99Å; F1180-Y1194 AromaticContact CG-CE1 3.43Å; F1180-Y1194 HydrophobicContact CG-CE1 3.43Å; F1180-Y1194 VanDerWaalsContact CG-CE1 3.43Å; F1180-Y1194 HydrophobicContact CG-CE2 4.17Å; F1180-Y1194 AromaticContact CG-CZ 3.52Å; F1180-Y1194 HydrophobicContact CZ-CE1 4.39Å; F1180-C1202 HydrophobicContact CB-CB 4.04Å; F1180-D1212 HydrophobicContact CE1-CB 3.89Å; F1180-D1212 HydrophobicContact CZ-CB 4.26Å |
| 1181 | A | 82.2 | Confident | 70.9 | Confident | 15 Ų | 15 | 85.8 Ų | 85.8 | 12% | 0.124 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 153.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | C1177 H1178 C1188 R1189 G1198 | C1177-A1181 HydrophobicContact CB-CB 4.17Å; H1178-A1181 HydrophobicContact CB-CB 4.28Å; H1178-A1181 WeakPolarHBondContact O-CA 3.36Å; H1178-A1181 WeakPolarHBondContact O-CB 3.31Å; H1178-A1181 PolarHBondContact O-N 3.08Å; A1181-C1188 HydrophobicContact CB-CB 4.44Å; A1181-R1189 CarbonylContact C-O 3.44Å; A1181-R1189 WeakPolarHBondContact CA-O 2.99Å; A1181-R1189 VanDerWaalsContact CB-O 3.29Å; A1181-R1189 WeakPolarHBondContact CB-O 3.34Å; A1181-G1198 WeakPolarHBondContact CB-O 3.25Å |
| 1182 | R | 78 | Confident | 71.7 | Confident | 126 Ų | 126 | 86.6 Ų | 86.6 | 48% | 0.475 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 145.4 | 169 | 58.4 | 175.1 | 164.8 | 170 | -9.7 | 110.6 | V1184 R1189 L1191 | R1182-V1184 HydrophobicContact CG-CG2 4.09Å; R1182-V1184 PolarHBondContact O-N 2.79Å; R1182-R1189 PolarHBondContact N-O 3.35Å; R1182-R1189 PolarHBondContact O-N 2.69Å; R1182-L1191 HydrophobicContact CB-CD2 4.23Å; R1182-L1191 HydrophobicContact CG-CD2 4Å |
| 1183 | C | 78.3 | Confident | 71.8 | Confident | 12 Ų | 12 | 86.1 Ų | 86.1 | 8% | 0.081 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 125.8 | 171.1 | -176.8 | 0 | 0 | 0 | 0 | 110.3 | Q1168 C1172 | Q1168-C1183 PolarHBondContact NE2-O 2.95Å; C1172-C1183 HydrophobicContact CB-CB 3.58Å; C1172-C1183 WeakPolarHBondContact CB-SG 3.36Å; C1172-C1183 WeakPolarHBondContact SG-CB 2.91Å; C1172-C1183 CovalentContact SG-SG 2.03Å; C1172-C1183 PolarHBondContact SG-SG 3.23Å |
| 1184 | V | 72.7 | Confident | 72.8 | Confident | 46 Ų | 46 | 77 Ų | 77 | 28% | 0.279 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 120.3 | 173.7 | -176.3 | 0 | 0 | 0 | 0 | 106.9 | R1182 G1186 R1187 | R1182-V1184 HydrophobicContact CG-CG2 4.09Å; R1182-V1184 PolarHBondContact O-N 2.79Å; V1184-G1186 VanDerWaalsContact C-N 3.26Å; V1184-G1186 PolarHBondContact O-N 2.8Å; V1184-R1187 PolarHBondContact N-O 3.12Å; V1184-R1187 PolarHBondContact O-N 3.29Å |
| 1185 | E | 68 | Low | 73.8 | Confident | 174 Ų | 174 | 78.2 Ų | 78.2 | 81% | 0.813 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 40.3 | 179.6 | -60.3 | 177.8 | 165.7 | 0 | 0 | 113.7 | R1187 | E1185-R1187 VanDerWaalsContact C-N 3.26Å; E1185-R1187 PolarHBondContact O-N 3.13Å |
| 1186 | G | 67.7 | Low | 75.1 | Confident | 15 Ų | 15 | 76.3 Ų | 76.3 | 16% | 0.155 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.4 | 4.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | V1184 | V1184-G1186 VanDerWaalsContact C-N 3.26Å; V1184-G1186 PolarHBondContact O-N 2.8Å |
| 1187 | R | 80 | Confident | 75.7 | Confident | 167 Ų | 167 | 71 Ų | 71 | 63% | 0.63 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 132.4 | 177.1 | -176 | 164.5 | -172.8 | 147 | 4.3 | 111.8 | V1184 E1185 Y1199 | V1184-R1187 PolarHBondContact N-O 3.12Å; V1184-R1187 PolarHBondContact O-N 3.29Å; E1185-R1187 VanDerWaalsContact C-N 3.26Å; E1185-R1187 PolarHBondContact O-N 3.13Å; R1187-Y1199 WeakPolarHBondContact CA-OH 3.41Å; R1187-Y1199 HydrophobicContact CG-CE2 4.09Å |
| 1188 | C | 83.9 | Confident | 75.6 | Confident | 2 Ų | 2 | 69.1 Ų | 69.1 | 1% | 0.014 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 133.3 | 175.4 | -55.8 | 0 | 0 | 0 | 0 | 110.9 | C1177 A1181 G1198 Y1199 | C1177-C1188 WeakPolarHBondContact CA-SG 3.28Å; C1177-C1188 HydrophobicContact CB-CB 3.68Å; C1177-C1188 WeakPolarHBondContact CB-SG 3.2Å; C1177-C1188 WeakPolarHBondContact SG-CB 3.32Å; C1177-C1188 CovalentContact SG-SG 2.03Å; C1177-C1188 PolarHBondContact SG-SG 2.92Å; A1181-C1188 HydrophobicContact CB-CB 4.44Å; C1188-G1198 WeakPolarHBondContact CB-O 3.42Å; C1188-Y1199 HydrophobicContact CB-CD1 3.98Å; C1188-Y1199 HydrophobicContact CB-CD2 4.21Å; C1188-Y1199 HydrophobicContact CB-CE1 4.02Å; C1188-Y1199 HydrophobicContact CB-CE2 4.24Å; C1188-Y1199 HydrophobicContact CB-CG 4.1Å; C1188-Y1199 WeakPolarHBondContact SG-CD1 3.36Å; C1188-Y1199 WeakPolarHBondContact SG-CE1 3.14Å |
| 1189 | R | 80 | Confident | 75.6 | Confident | 170 Ų | 170 | 70 Ų | 70 | 64% | 0.642 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 132.9 | 173.9 | -88.5 | -177.2 | 160.3 | 168.1 | -3.9 | 109.1 | A1181 R1182 | A1181-R1189 CarbonylContact C-O 3.44Å; A1181-R1189 WeakPolarHBondContact CA-O 2.99Å; A1181-R1189 VanDerWaalsContact CB-O 3.29Å; A1181-R1189 WeakPolarHBondContact CB-O 3.34Å; R1182-R1189 PolarHBondContact N-O 3.35Å; R1182-R1189 PolarHBondContact O-N 2.69Å |
| 1190 | C | 83.1 | Confident | 76.1 | Confident | 26 Ų | 26 | 71 Ų | 71 | 18% | 0.176 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.7 | 147.8 | 174.5 | -58.8 | 0 | 0 | 0 | 0 | 111.7 | F1180 Y1194 G1196 C1202 | F1180-C1190 CarbonylContact O-C 3.59Å; F1180-C1190 WeakPolarHBondContact O-CA 3.3Å; C1190-Y1194 WeakPolarHBondContact CB-O 3.44Å; C1190-G1196 PolarHBondContact SG-N 2.86Å; C1190-G1196 VanDerWaalsContact SG-N 3.4Å; C1190-C1202 WeakPolarHBondContact CA-SG 3.47Å; C1190-C1202 HydrophobicContact CB-CB 3.81Å; C1190-C1202 WeakPolarHBondContact CB-SG 3.45Å; C1190-C1202 VanDerWaalsContact SG-CA 3.6Å; C1190-C1202 WeakPolarHBondContact SG-CB 3.03Å; C1190-C1202 CovalentContact SG-SG 2.04Å; C1190-C1202 PolarHBondContact SG-SG 2.75Å |
| 1191 | L | 74.4 | Confident | 75.8 | Confident | 67 Ų | 67 | 73.5 Ų | 73.5 | 35% | 0.351 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 159.3 | 174.5 | -64 | 173.4 | 0 | 0 | 0 | 110.4 | F1180 R1182 G1193 Y1194 | F1180-L1191 PolarHBondContact O-N 2.99Å; R1182-L1191 HydrophobicContact CB-CD2 4.23Å; R1182-L1191 HydrophobicContact CG-CD2 4Å; L1191-G1193 PolarHBondContact O-N 2.97Å; L1191-Y1194 HydrophobicContact CB-CD2 4.36Å; L1191-Y1194 PolarHBondContact O-N 3.46Å |
| 1192 | D | 69.8 | Low | 75.3 | Confident | 136 Ų | 136 | 73 Ų | 73 | 73% | 0.727 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | 134 | 177.6 | -61.9 | -53 | 0 | 0 | 0 | 110.2 | S1210 | D1192-S1210 PolarHBondContact O-OG 2.79Š|
| 1193 | G | 55.3 | Low | 74.9 | Confident | 16 Ų | 16 | 71.4 Ų | 71.4 | 17% | 0.165 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 89.9 | -4.1 | -171.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | L1191 I1205 | L1191-G1193 PolarHBondContact O-N 2.97Å; G1193-I1205 PolarHBondContact O-N 2.84Å |
| 1194 | Y | 76.8 | Confident | 73.6 | Confident | 20 Ų | 20 | 74.3 Ų | 74.3 | 8% | 0.078 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 148.1 | 175.9 | -63.1 | -102.1 | 0 | 0 | 0 | 112.9 | F1180 C1190 L1191 C1202 N1203 I1204 S1210 | F1180-Y1194 HydrophobicContact CB-CD1 3.77Å; F1180-Y1194 HydrophobicContact CB-CD2 4.16Å; F1180-Y1194 HydrophobicContact CB-CE1 3.74Å; F1180-Y1194 HydrophobicContact CB-CE2 4.14Å; F1180-Y1194 HydrophobicContact CB-CG 3.98Å; F1180-Y1194 HydrophobicContact CD1-CE1 4.13Å; F1180-Y1194 HydrophobicContact CD1-CE2 4.34Å; F1180-Y1194 AromaticContact CD1-CZ 3.77Å; F1180-Y1194 AromaticContact CD2-CD1 3.84Å; F1180-Y1194 HydrophobicContact CD2-CD1 3.84Å; F1180-Y1194 AromaticContact CD2-CE1 3.19Å; F1180-Y1194 HydrophobicContact CD2-CE1 3.19Å; F1180-Y1194 AromaticContact CD2-CZ 3.71Å; F1180-Y1194 WeakPolarHBondContact CE1-OH 3.41Å; F1180-Y1194 AromaticContact CE2-CE1 3.72Å; F1180-Y1194 HydrophobicContact CE2-CE1 3.72Å; F1180-Y1194 AromaticContact CG-CD1 3.99Å; F1180-Y1194 HydrophobicContact CG-CD1 3.99Å; F1180-Y1194 AromaticContact CG-CE1 3.43Å; F1180-Y1194 HydrophobicContact CG-CE1 3.43Å; F1180-Y1194 VanDerWaalsContact CG-CE1 3.43Å; F1180-Y1194 HydrophobicContact CG-CE2 4.17Å; F1180-Y1194 AromaticContact CG-CZ 3.52Å; F1180-Y1194 HydrophobicContact CZ-CE1 4.39Å; C1190-Y1194 WeakPolarHBondContact CB-O 3.44Å; L1191-Y1194 HydrophobicContact CB-CD2 4.36Å; L1191-Y1194 PolarHBondContact O-N 3.46Å; Y1194-C1202 HydrophobicContact CD1-CB 4.39Å; Y1194-N1203 CarbonylContact C-O 3.41Å; Y1194-N1203 WeakPolarHBondContact CA-O 3.46Å; Y1194-I1204 HydrophobicContact CD1-CG1 3.93Å; Y1194-I1204 HydrophobicContact CE1-CD1 4.43Å; Y1194-I1204 HydrophobicContact CE1-CG1 3.48Å; Y1194-I1204 VanDerWaalsContact CE1-CG1 3.48Å; Y1194-S1210 WeakPolarHBondContact CE2-O 3.31Å; Y1194-S1210 PolarHBondContact OH-O 2.73Å |
| 1195 | E | 75 | Confident | 72.9 | Confident | 115 Ų | 115 | 75.3 Ų | 75.3 | 54% | 0.537 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 144.5 | 173.1 | 64.2 | 172.4 | -167.1 | 0 | 0 | 112.2 | C1202 N1203 I1205 | E1195-C1202 CarbonylContact O-C 3.58Å; E1195-C1202 WeakPolarHBondContact O-CA 3.02Å; E1195-N1203 PolarHBondContact N-O 3.01Å; E1195-N1203 PolarHBondContact O-N 3.25Å; E1195-I1205 HydrophobicContact CB-CD1 4.2Å; E1195-I1205 HydrophobicContact CB-CG1 3.89Å; E1195-I1205 HydrophobicContact CG-CG1 3.87Å |
| 1196 | G | 84.7 | Confident | 71.7 | Confident | 49 Ų | 49 | 72.9 Ų | 72.9 | 51% | 0.505 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 157.5 | -169.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | C1190 G1198 M1201 | C1190-G1196 PolarHBondContact SG-N 2.86Å; C1190-G1196 VanDerWaalsContact SG-N 3.4Å; G1196-G1198 VanDerWaalsContact C-N 3.33Å; G1196-M1201 CarbonylContact C-O 3.55Å; G1196-M1201 VanDerWaalsContact CA-O 3.31Å; G1196-M1201 WeakPolarHBondContact CA-O 3.38Å |
| 1197 | D | 77.1 | Confident | 70.6 | Confident | 65 Ų | 65 | 76.1 Ų | 76.1 | 35% | 0.348 | 41% | 0.407 | S | S | . | . | trans | -79.5 | -15.9 | -177.5 | 74.5 | 2 | 0 | 0 | 0 | 113.7 | Y1199 Q1200 M1201 | D1197-Y1199 VanDerWaalsContact C-N 3.26Å; D1197-Y1199 WeakPolarHBondContact O-CD2 3.36Å; D1197-Y1199 PolarHBondContact O-N 2.03Å; D1197-Y1199 PolarHBondContact OD1-N 2.86Å; D1197-Q1200 PolarHBondContact OD1-N 2.96Å; D1197-M1201 HydrophobicContact CB-CG 4.15Å; D1197-M1201 PolarHBondContact N-O 2.6Å; D1197-M1201 PolarHBondContact OD1-N 3Å | ||
| 1198 | G | 77.2 | Confident | 68.8 | Low | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 39% | 0.392 | C | S | . | . | S | Bend | trans | 83.8 | -18 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115 | H1178 A1181 C1188 G1196 M1201 | H1178-G1198 WeakPolarHBondContact CB-O 3.43Å; H1178-G1198 PolarHBondContact N-O 3.03Å; A1181-G1198 WeakPolarHBondContact CB-O 3.25Å; C1188-G1198 WeakPolarHBondContact CB-O 3.42Å; G1196-G1198 VanDerWaalsContact C-N 3.33Å; G1198-M1201 PolarHBondContact N-O 3.31Å |
| 1199 | Y | 79.8 | Confident | 66.4 | Low | 65 Ų | 65 | 77 Ų | 77 | 26% | 0.255 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -102.5 | -52.4 | -173.7 | -67.7 | -85.3 | 0 | 0 | 0 | 112 | E1175 H1178 R1187 C1188 D1197 | E1175-Y1199 HydrophobicContact CB-CE1 4.31Å; E1175-Y1199 HydrophobicContact CG-CE1 4.34Å; E1175-Y1199 VanDerWaalsContact OE2-CE1 3.25Å; E1175-Y1199 WeakPolarHBondContact OE2-CE1 3.27Å; H1178-Y1199 PolarHBondContact N-O 3.01Å; R1187-Y1199 WeakPolarHBondContact CA-OH 3.41Å; R1187-Y1199 HydrophobicContact CG-CE2 4.09Å; C1188-Y1199 HydrophobicContact CB-CD1 3.98Å; C1188-Y1199 HydrophobicContact CB-CD2 4.21Å; C1188-Y1199 HydrophobicContact CB-CE1 4.02Å; C1188-Y1199 HydrophobicContact CB-CE2 4.24Å; C1188-Y1199 HydrophobicContact CB-CG 4.1Å; C1188-Y1199 WeakPolarHBondContact SG-CD1 3.36Å; C1188-Y1199 WeakPolarHBondContact SG-CE1 3.14Å; D1197-Y1199 VanDerWaalsContact C-N 3.26Å; D1197-Y1199 WeakPolarHBondContact O-CD2 3.36Å; D1197-Y1199 PolarHBondContact O-N 2.03Å; D1197-Y1199 PolarHBondContact OD1-N 2.86Å |
| 1200 | Q | 78.8 | Confident | 64.3 | Low | 169 Ų | 169 | 70.8 Ų | 70.8 | 79% | 0.79 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -116.9 | -16.6 | -179.2 | -66 | -168.2 | -24.1 | 0 | 0 | 112.9 | H1178 D1197 | H1178-Q1200 PolarHBondContact CD2-O 2.79Å; D1197-Q1200 PolarHBondContact OD1-N 2.96Å |
| 1201 | M | 68.4 | Low | 62.3 | Low | 89 Ų | 89 | 71.2 Ų | 71.2 | 44% | 0.438 | 42% | 0.423 | S | S | . | . | trans | -141.8 | 132.1 | 178.3 | 72.7 | -161.9 | -45.8 | 0 | 0 | 112.9 | G1196 D1197 G1198 | G1196-M1201 CarbonylContact C-O 3.55Å; G1196-M1201 VanDerWaalsContact CA-O 3.31Å; G1196-M1201 WeakPolarHBondContact CA-O 3.38Å; D1197-M1201 HydrophobicContact CB-CG 4.15Å; D1197-M1201 PolarHBondContact N-O 2.6Å; D1197-M1201 PolarHBondContact OD1-N 3Å; G1198-M1201 PolarHBondContact N-O 3.31Å | ||
| 1202 | C | 73.3 | Confident | 60.9 | Low | 4 Ų | 4 | 73.3 Ų | 73.3 | 3% | 0.027 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 109.5 | 157.6 | -67.8 | 0 | 0 | 0 | 0 | 108.2 | H1178 F1180 C1190 Y1194 E1195 | H1178-C1202 PolarHBondContact CE1-N 2.77Å; H1178-C1202 PolarHBondContact CE1-O 2.95Å; H1178-C1202 WeakPolarHBondContact ND1-CB 3.47Å; H1178-C1202 PolarHBondContact ND1-N 3.37Å; F1180-C1202 HydrophobicContact CB-CB 4.04Å; C1190-C1202 WeakPolarHBondContact CA-SG 3.47Å; C1190-C1202 HydrophobicContact CB-CB 3.81Å; C1190-C1202 WeakPolarHBondContact CB-SG 3.45Å; C1190-C1202 VanDerWaalsContact SG-CA 3.6Å; C1190-C1202 WeakPolarHBondContact SG-CB 3.03Å; C1190-C1202 CovalentContact SG-SG 2.04Å; C1190-C1202 PolarHBondContact SG-SG 2.75Å; Y1194-C1202 HydrophobicContact CD1-CB 4.39Å; E1195-C1202 CarbonylContact O-C 3.58Å; E1195-C1202 WeakPolarHBondContact O-CA 3.02Å |
| 1203 | N | 69.3 | Low | 60.1 | Low | 92 Ų | 92 | 69.8 Ų | 69.8 | 49% | 0.492 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 148.7 | -178.9 | -63.2 | -29.3 | 0 | 0 | 0 | 110.2 | Y1194 E1195 I1205 | Y1194-N1203 CarbonylContact C-O 3.41Å; Y1194-N1203 WeakPolarHBondContact CA-O 3.46Å; E1195-N1203 PolarHBondContact N-O 3.01Å; E1195-N1203 PolarHBondContact O-N 3.25Å; N1203-I1205 PolarHBondContact O-N 3.23Å |
| 1204 | I | 51.5 | Low | 60.4 | Low | 74 Ų | 74 | 71.7 Ų | 71.7 | 38% | 0.379 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 129.1 | 178.5 | -64.6 | 158.9 | 0 | 0 | 0 | 109.7 | Y1194 P1206 A1211 | Y1194-I1204 HydrophobicContact CD1-CG1 3.93Å; Y1194-I1204 HydrophobicContact CE1-CD1 4.43Å; Y1194-I1204 HydrophobicContact CE1-CG1 3.48Å; Y1194-I1204 VanDerWaalsContact CE1-CG1 3.48Å; I1204-P1206 WeakPolarHBondContact O-CD 3.41Å; I1204-A1211 HydrophobicContact CD1-CB 3.57Å; I1204-A1211 HydrophobicContact CG1-CB 4.3Å |
| 1205 | I | 57.2 | Low | 59.7 | Low | 66 Ų | 66 | 76.9 Ų | 76.9 | 34% | 0.338 | 47% | 0.469 | S | S | . | . | P | Polyproline II helix | trans | -70.9 | 123.9 | 173.3 | -62.1 | 171 | 0 | 0 | 0 | 108.4 | G1193 E1195 N1203 G1207 A1208 | G1193-I1205 PolarHBondContact O-N 2.84Å; E1195-I1205 HydrophobicContact CB-CD1 4.2Å; E1195-I1205 HydrophobicContact CB-CG1 3.89Å; E1195-I1205 HydrophobicContact CG-CG1 3.87Å; N1203-I1205 PolarHBondContact O-N 3.23Å; I1205-G1207 PolarHBondContact O-N 2.88Å; I1205-A1208 HydrophobicContact CB-CB 4.16Å; I1205-A1208 PolarHBondContact O-N 2.75Å |
| 1206 | P | 42.2 | Very low | 59.3 | Low | 123 Ų | 123 | 71.8 Ų | 71.8 | 80% | 0.799 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | 114.5 | -179.4 | -24.9 | 34.7 | 0 | 0 | 0 | 111.9 | I1204 | I1204-P1206 WeakPolarHBondContact O-CD 3.41Š|
| 1207 | G | 46 | Very low | 58.9 | Low | 84 Ų | 84 | 72.9 Ų | 72.9 | 87% | 0.866 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 102.4 | -3.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | I1205 | I1205-G1207 PolarHBondContact O-N 2.88Š|
| 1208 | A | 40.7 | Very low | 58.9 | Low | 36 Ų | 36 | 70 Ų | 70 | 30% | 0.298 | 43% | 0.426 | S | S | . | . | trans | -87.8 | 134.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112 | I1205 S1210 | I1205-A1208 HydrophobicContact CB-CB 4.16Å; I1205-A1208 PolarHBondContact O-N 2.75Å; A1208-S1210 PolarHBondContact O-N 2.87Å | ||
| 1209 | T | 34.7 | Very low | 58.6 | Low | 150 Ų | 150 | 73.9 Ų | 73.9 | 92% | 0.92 | 45% | 0.445 | S | S | * | . | trans | -92.1 | 66.4 | -174.5 | 54.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1210 | S | 35.1 | Very low | 57.6 | Low | 41 Ų | 41 | 73 Ų | 73 | 29% | 0.287 | 45% | 0.448 | S | S | . | . | trans | -154.9 | 101.1 | 172.1 | 57.9 | 0 | 0 | 0 | 0 | 111.5 | D1192 Y1194 A1208 | D1192-S1210 PolarHBondContact O-OG 2.79Å; Y1194-S1210 WeakPolarHBondContact CE2-O 3.31Å; Y1194-S1210 PolarHBondContact OH-O 2.73Å; A1208-S1210 PolarHBondContact O-N 2.87Å | ||
| 1211 | A | 40.9 | Very low | 57.3 | Low | 34 Ų | 34 | 66.1 Ų | 66.1 | 28% | 0.281 | 42% | 0.415 | S | S | . | . | trans | -150.6 | 79.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | I1204 C1213 | I1204-A1211 HydrophobicContact CD1-CB 3.57Å; I1204-A1211 HydrophobicContact CG1-CB 4.3Å; A1211-C1213 PolarHBondContact O-N 2.62Å; A1211-C1213 PolarHBondContact O-SG 2.99Å; A1211-C1213 VanDerWaalsContact O-SG 3.35Å | ||
| 1212 | D | 44.7 | Very low | 57.4 | Low | 112 Ų | 112 | 68.4 Ų | 68.4 | 60% | 0.599 | 42% | 0.423 | S | S | * | . | trans | 1.1 | 66.6 | 160 | -158.7 | 7.2 | 0 | 0 | 0 | 118.8 | F1180 G1214 | F1180-D1212 HydrophobicContact CE1-CB 3.89Å; F1180-D1212 HydrophobicContact CZ-CB 4.26Å; D1212-G1214 PolarHBondContact O-N 3.37Å; D1212-G1214 VanDerWaalsContact O-N 3.16Å; D1212-G1214 PolarHBondContact OD1-N 3.32Å | ||
| 1213 | C | 53.7 | Low | 57.6 | Low | 62 Ų | 62 | 73.1 Ų | 73.1 | 42% | 0.419 | 44% | 0.444 | S | S | . | . | G | 310 helix | trans | -74.5 | 10.8 | 168.6 | -58.6 | 0 | 0 | 0 | 0 | 112.6 | A1211 N1215 C1216 C1227 | A1211-C1213 PolarHBondContact O-N 2.62Å; A1211-C1213 PolarHBondContact O-SG 2.99Å; A1211-C1213 VanDerWaalsContact O-SG 3.35Å; C1213-N1215 PolarHBondContact O-N 2.87Å; C1213-N1215 VanDerWaalsContact O-N 3.15Å; C1213-C1216 PolarHBondContact O-N 3.01Å; C1213-C1227 HydrophobicContact CB-CB 3.57Å; C1213-C1227 WeakPolarHBondContact CB-SG 3.12Å; C1213-C1227 WeakPolarHBondContact SG-CB 3.44Å; C1213-C1227 CovalentContact SG-SG 2.04Å; C1213-C1227 PolarHBondContact SG-SG 2.89Å |
| 1214 | G | 61.1 | Low | 58.1 | Low | 55 Ų | 55 | 68.7 Ų | 68.7 | 57% | 0.567 | 42% | 0.421 | S | S | * | . | G | 310 helix | trans | -61.5 | -25.6 | -169.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | D1212 | D1212-G1214 PolarHBondContact O-N 3.37Å; D1212-G1214 VanDerWaalsContact O-N 3.16Å; D1212-G1214 PolarHBondContact OD1-N 3.32Å |
| 1215 | N | 62.6 | Low | 59.4 | Low | 130 Ų | 130 | 65.6 Ų | 65.6 | 70% | 0.695 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -98.6 | -0.2 | -178.7 | -69.3 | -23.7 | 0 | 0 | 0 | 114.7 | C1213 N1217 | C1213-N1215 PolarHBondContact O-N 2.87Å; C1213-N1215 VanDerWaalsContact O-N 3.15Å; N1215-N1217 PolarHBondContact O-N 2.85Å; N1215-N1217 VanDerWaalsContact O-N 3.16Å |
| 1216 | C | 66.6 | Low | 60.1 | Low | 7 Ų | 7 | 68.8 Ų | 68.8 | 5% | 0.047 | 42% | 0.419 | C | S | . | . | trans | -72 | 109.9 | 172.5 | -59.5 | 0 | 0 | 0 | 0 | 109.6 | C1213 A1225 C1232 | C1213-C1216 PolarHBondContact O-N 3.01Å; C1216-A1225 HydrophobicContact CB-CB 4.3Å; C1216-C1232 WeakPolarHBondContact CA-SG 3.44Å; C1216-C1232 HydrophobicContact CB-CB 3.92Å; C1216-C1232 WeakPolarHBondContact CB-SG 3.39Å; C1216-C1232 VanDerWaalsContact SG-CA 3.55Å; C1216-C1232 WeakPolarHBondContact SG-CB 3.38Å; C1216-C1232 CovalentContact SG-SG 2.04Å; C1216-C1232 PolarHBondContact SG-SG 2.92Å | ||
| 1217 | N | 75.5 | Confident | 61.2 | Low | 73 Ų | 73 | 64.8 Ų | 64.8 | 39% | 0.39 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 107.4 | -172.9 | -120.1 | -7.1 | 0 | 0 | 0 | 110.4 | N1215 G1244 V1245 C1246 | N1215-N1217 PolarHBondContact O-N 2.85Å; N1215-N1217 VanDerWaalsContact O-N 3.16Å; N1217-G1244 PolarHBondContact N-O 3.03Å; N1217-V1245 VanDerWaalsContact O-CA 3.31Å; N1217-V1245 WeakPolarHBondContact O-CA 3.47Å; N1217-C1246 PolarHBondContact O-N 3.45Å; N1217-C1246 VanDerWaalsContact O-N 3.09Å |
| 1218 | G | 77.1 | Confident | 62 | Low | 5 Ų | 5 | 64.1 Ų | 64.1 | 5% | 0.052 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 141.2 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | F1221 K1222 C1246 | G1218-F1221 CarbonylContact C-O 3.57Å; G1218-F1221 WeakPolarHBondContact CA-O 3.46Å; G1218-F1221 CarbonylContact O-C 3.49Å; G1218-F1221 VanDerWaalsContact O-C 3.28Å; G1218-K1222 PolarHBondContact O-N 3.38Å; G1218-C1246 CarbonylContact C-O 3.53Å; G1218-C1246 VanDerWaalsContact CA-O 3.3Å; G1218-C1246 WeakPolarHBondContact CA-O 3.41Å |
| 1219 | I | 71.5 | Confident | 62.8 | Low | 81 Ų | 81 | 66.5 Ų | 66.5 | 42% | 0.415 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 123.7 | -179.7 | -55 | 179.6 | 0 | 0 | 0 | 108.5 | L1224 V1245 C1246 M1247 E1248 | I1219-L1224 WeakPolarHBondContact O-CD1 3.45Å; I1219-V1245 HydrophobicContact CD1-CG1 3.69Å; I1219-V1245 HydrophobicContact CG1-CG1 4.27Å; I1219-C1246 PolarHBondContact N-O 3.38Å; I1219-M1247 HydrophobicContact CB-CB 4.24Å; I1219-M1247 WeakPolarHBondContact O-CA 3.2Å; I1219-M1247 WeakPolarHBondContact O-CB 3.14Å; I1219-E1248 PolarHBondContact O-N 2.76Å |
| 1220 | P | 59.6 | Low | 63.9 | Low | 47 Ų | 47 | 61.6 Ų | 61.6 | 31% | 0.305 | 38% | 0.381 | S | S | . | . | S | Bend | cis | -73.9 | -22.3 | 3.6 | 28.6 | -34.9 | 0 | 0 | 0 | 114.2 | ||
| 1221 | F | 72.8 | Confident | 65.2 | Low | 24 Ų | 24 | 67.9 Ų | 67.9 | 11% | 0.105 | 40% | 0.398 | C | S | . | . | trans | -108.1 | 130.7 | -171.9 | -50.4 | -53.2 | 0 | 0 | 0 | 112.7 | G1218 E1223 L1224 F1266 N1267 A1269 R1797 | G1218-F1221 CarbonylContact C-O 3.57Å; G1218-F1221 WeakPolarHBondContact CA-O 3.46Å; G1218-F1221 CarbonylContact O-C 3.49Å; G1218-F1221 VanDerWaalsContact O-C 3.28Å; F1221-E1223 PolarHBondContact O-N 2.91Å; F1221-E1223 VanDerWaalsContact O-N 3.16Å; F1221-L1224 HydrophobicContact CB-CD1 4.37Å; F1221-L1224 HydrophobicContact CB-CG 4.19Å; F1221-L1224 VanDerWaalsContact O-CB 3.3Å; F1221-L1224 WeakPolarHBondContact O-CB 3.31Å; F1221-L1224 VanDerWaalsContact O-CG 3.25Å; F1221-L1224 WeakPolarHBondContact O-CG 3.22Å; F1221-L1224 PolarHBondContact O-N 2.84Å; F1221-F1266 VanDerWaalsContact CE2-O 3.22Å; F1221-F1266 WeakPolarHBondContact CE2-O 3.46Å; F1221-N1267 HydrophobicContact CE2-CB 3.83Å; F1221-N1267 HydrophobicContact CZ-CB 3.95Å; F1221-A1269 HydrophobicContact CD2-CB 4.17Å; F1221-A1269 HydrophobicContact CE2-CB 3.95Å; F1221-R1797 HydrophobicContact CD1-CB 3.75Å; F1221-R1797 HydrophobicContact CD1-CG 4.31Å; F1221-R1797 HydrophobicContact CE1-CB 3.57Å; F1221-R1797 HydrophobicContact CE1-CG 4.4Å | ||
| 1222 | K | 69.9 | Low | 66.6 | Low | 137 Ų | 137 | 67.4 Ų | 67.4 | 60% | 0.596 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -59.1 | -32.1 | -176.6 | -170.3 | 175 | -179.2 | 178 | 0 | 112.6 | G1218 L1224 A1225 | G1218-K1222 PolarHBondContact O-N 3.38Å; K1222-L1224 PolarHBondContact O-N 2.82Å; K1222-L1224 VanDerWaalsContact O-N 3.16Å; K1222-A1225 PolarHBondContact O-N 2.83Å; K1222-A1225 VanDerWaalsContact O-N 3.13Å |
| 1223 | E | 77.1 | Confident | 68.2 | Low | 102 Ų | 102 | 66 Ų | 66 | 48% | 0.477 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -63.5 | -15.5 | 177.9 | -55.7 | 97.8 | 137.2 | 0 | 0 | 114 | F1221 A1225 R1797 | F1221-E1223 PolarHBondContact O-N 2.91Å; F1221-E1223 VanDerWaalsContact O-N 3.16Å; E1223-A1225 PolarHBondContact O-N 3.08Å; E1223-R1797 VanDerWaalsContact CD-NH1 3.32Å; E1223-R1797 IonicContact OE1-CZ 3.97Å; E1223-R1797 VanDerWaalsContact OE1-CZ 3.26Å; E1223-R1797 IonicContact OE1-NH1 3.67Å; E1223-R1797 PolarHBondContact OE1-NH1 3.09Å; E1223-R1797 IonicContact OE1-NH2 3.08Å; E1223-R1797 PolarHBondContact OE1-NH2 3.4Å; E1223-R1797 IonicContact OE2-NH1 3.85Å; E1223-R1797 PolarHBondContact OE2-NH1 3.48Å |
| 1224 | L | 79.7 | Confident | 69.6 | Low | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -65.5 | -18.7 | 173.1 | -59.9 | 174.1 | 0 | 0 | 0 | 112.8 | I1219 F1221 K1222 C1234 A1235 F1238 C1246 F1266 | I1219-L1224 WeakPolarHBondContact O-CD1 3.45Å; F1221-L1224 HydrophobicContact CB-CD1 4.37Å; F1221-L1224 HydrophobicContact CB-CG 4.19Å; F1221-L1224 VanDerWaalsContact O-CB 3.3Å; F1221-L1224 WeakPolarHBondContact O-CB 3.31Å; F1221-L1224 VanDerWaalsContact O-CG 3.25Å; F1221-L1224 WeakPolarHBondContact O-CG 3.22Å; F1221-L1224 PolarHBondContact O-N 2.84Å; K1222-L1224 PolarHBondContact O-N 2.82Å; K1222-L1224 VanDerWaalsContact O-N 3.16Å; L1224-C1234 CarbonylContact O-C 3.58Å; L1224-C1234 VanDerWaalsContact O-CA 3.27Å; L1224-C1234 WeakPolarHBondContact O-CA 3.3Å; L1224-A1235 HydrophobicContact CD2-CB 4.4Å; L1224-A1235 PolarHBondContact O-N 2.8Å; L1224-F1238 HydrophobicContact CD1-CD1 3.88Å; L1224-F1238 HydrophobicContact CD1-CE1 4.01Å; L1224-F1238 HydrophobicContact CD2-CD1 3.62Å; L1224-F1238 HydrophobicContact CD2-CD2 3.87Å; L1224-F1238 HydrophobicContact CD2-CE1 3.52Å; L1224-F1238 HydrophobicContact CD2-CE2 3.77Å; L1224-F1238 HydrophobicContact CD2-CG 3.8Å; L1224-F1238 HydrophobicContact CD2-CZ 3.59Å; L1224-F1238 HydrophobicContact CG-CD1 4.26Å; L1224-F1238 HydrophobicContact CG-CE1 4.39Å; L1224-C1246 HydrophobicContact CB-CB 4.31Å; L1224-C1246 WeakPolarHBondContact O-CB 3.32Å; L1224-F1266 HydrophobicContact CD2-CB 3.93Å; L1224-F1266 HydrophobicContact CD2-CD1 3.59Å; L1224-F1266 HydrophobicContact CD2-CE1 4.23Å; L1224-F1266 HydrophobicContact CD2-CG 3.75Å |
| 1225 | A | 79 | Confident | 70.6 | Confident | 9 Ų | 9 | 62.8 Ų | 62.8 | 7% | 0.074 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 106.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | C1216 K1222 E1223 C1246 | C1216-A1225 HydrophobicContact CB-CB 4.3Å; K1222-A1225 PolarHBondContact O-N 2.83Å; K1222-A1225 VanDerWaalsContact O-N 3.13Å; E1223-A1225 PolarHBondContact O-N 3.08Å; A1225-C1246 HydrophobicContact CB-CB 3.98Å |
| 1226 | Q | 72.2 | Confident | 71.6 | Confident | 132 Ų | 132 | 65.2 Ų | 65.2 | 62% | 0.617 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 130.8 | 177.8 | -168.4 | 177.7 | 9.7 | 0 | 0 | 111.4 | V1228 C1232 I1233 | Q1226-V1228 HydrophobicContact CB-CG2 4.36Å; Q1226-V1228 HydrophobicContact CG-CG2 3.91Å; Q1226-V1228 PolarHBondContact O-N 3.27Å; Q1226-C1232 CarbonylContact O-C 3.48Å; Q1226-C1232 WeakPolarHBondContact O-CA 3.18Å; Q1226-I1233 PolarHBondContact N-O 3.22Å; Q1226-I1233 PolarHBondContact O-N 2.96Å |
| 1227 | C | 65.1 | Low | 72.4 | Confident | 39 Ų | 39 | 65 Ų | 65 | 26% | 0.264 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 111.1 | 171.2 | -164.9 | 0 | 0 | 0 | 0 | 110.1 | C1213 | C1213-C1227 HydrophobicContact CB-CB 3.57Å; C1213-C1227 WeakPolarHBondContact CB-SG 3.12Å; C1213-C1227 WeakPolarHBondContact SG-CB 3.44Å; C1213-C1227 CovalentContact SG-SG 2.04Å; C1213-C1227 PolarHBondContact SG-SG 2.89Å |
| 1228 | V | 63.6 | Low | 73.1 | Confident | 71 Ų | 71 | 61.9 Ų | 61.9 | 43% | 0.43 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 112.5 | 178.2 | -175.3 | 0 | 0 | 0 | 0 | 108.6 | Q1226 G1230 R1231 I1233 | Q1226-V1228 HydrophobicContact CB-CG2 4.36Å; Q1226-V1228 HydrophobicContact CG-CG2 3.91Å; Q1226-V1228 PolarHBondContact O-N 3.27Å; V1228-G1230 VanDerWaalsContact C-N 3.29Å; V1228-G1230 PolarHBondContact O-N 2.97Å; V1228-R1231 PolarHBondContact N-O 3.17Å; V1228-R1231 PolarHBondContact O-N 3.35Å; V1228-R1231 VanDerWaalsContact O-N 3.15Å; V1228-I1233 HydrophobicContact CB-CD1 3.8Å; V1228-I1233 HydrophobicContact CB-CG1 4.38Å; V1228-I1233 HydrophobicContact CG1-CD1 4.39Å; V1228-I1233 HydrophobicContact CG2-CD1 4.14Å |
| 1229 | G | 56.3 | Low | 73.3 | Confident | 86 Ų | 86 | 62.5 Ų | 62.5 | 89% | 0.887 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62 | 31.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | R1231 | G1229-R1231 VanDerWaalsContact C-N 3.32Š|
| 1230 | G | 58.5 | Low | 73.8 | Confident | 47 Ų | 47 | 63 Ų | 63 | 49% | 0.485 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.7 | 6.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | V1228 | V1228-G1230 VanDerWaalsContact C-N 3.29Å; V1228-G1230 PolarHBondContact O-N 2.97Å |
| 1231 | R | 61.7 | Low | 74.4 | Confident | 173 Ų | 173 | 64.2 Ų | 64.2 | 65% | 0.653 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 132.8 | 171.9 | -177.8 | 174.4 | 179.6 | 170.2 | 1.7 | 109.9 | V1228 G1229 I1233 | V1228-R1231 PolarHBondContact N-O 3.17Å; V1228-R1231 PolarHBondContact O-N 3.35Å; V1228-R1231 VanDerWaalsContact O-N 3.15Å; G1229-R1231 VanDerWaalsContact C-N 3.32Å; R1231-I1233 HydrophobicContact CG-CG1 4.48Å |
| 1232 | C | 71 | Confident | 74.2 | Confident | 23 Ų | 23 | 69.2 Ų | 69.2 | 16% | 0.155 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 132.2 | 167.9 | -48.6 | 0 | 0 | 0 | 0 | 109.4 | C1216 Q1226 | C1216-C1232 WeakPolarHBondContact CA-SG 3.44Å; C1216-C1232 HydrophobicContact CB-CB 3.92Å; C1216-C1232 WeakPolarHBondContact CB-SG 3.39Å; C1216-C1232 VanDerWaalsContact SG-CA 3.55Å; C1216-C1232 WeakPolarHBondContact SG-CB 3.38Å; C1216-C1232 CovalentContact SG-SG 2.04Å; C1216-C1232 PolarHBondContact SG-SG 2.92Å; Q1226-C1232 CarbonylContact O-C 3.48Å; Q1226-C1232 WeakPolarHBondContact O-CA 3.18Å |
| 1233 | I | 77.7 | Confident | 74.2 | Confident | 83 Ų | 83 | 68.8 Ų | 68.8 | 43% | 0.426 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 130.2 | 177.1 | -54.3 | -175.6 | 0 | 0 | 0 | 107.6 | Q1226 V1228 R1231 | Q1226-I1233 PolarHBondContact N-O 3.22Å; Q1226-I1233 PolarHBondContact O-N 2.96Å; V1228-I1233 HydrophobicContact CB-CD1 3.8Å; V1228-I1233 HydrophobicContact CB-CG1 4.38Å; V1228-I1233 HydrophobicContact CG1-CD1 4.39Å; V1228-I1233 HydrophobicContact CG2-CD1 4.14Å; R1231-I1233 HydrophobicContact CG-CG1 4.48Å |
| 1234 | C | 83.2 | Confident | 73.9 | Confident | 28 Ų | 28 | 64.2 Ų | 64.2 | 19% | 0.189 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 148.5 | 177.3 | -54.1 | 0 | 0 | 0 | 0 | 112.2 | L1224 F1238 C1246 | L1224-C1234 CarbonylContact O-C 3.58Å; L1224-C1234 VanDerWaalsContact O-CA 3.27Å; L1224-C1234 WeakPolarHBondContact O-CA 3.3Å; C1234-F1238 HydrophobicContact CB-CB 4.4Å; C1234-C1246 WeakPolarHBondContact CA-SG 3Å; C1234-C1246 HydrophobicContact CB-CB 3.7Å; C1234-C1246 WeakPolarHBondContact CB-SG 3.14Å; C1234-C1246 WeakPolarHBondContact SG-CB 3.22Å; C1234-C1246 CovalentContact SG-SG 2.03Å; C1234-C1246 PolarHBondContact SG-SG 3.26Å |
| 1235 | A | 82.4 | Confident | 74 | Confident | 21 Ų | 21 | 65.5 Ų | 65.5 | 17% | 0.174 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -56.7 | 151.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L1224 G1237 F1238 F1266 | L1224-A1235 HydrophobicContact CD2-CB 4.4Å; L1224-A1235 PolarHBondContact O-N 2.8Å; A1235-G1237 PolarHBondContact O-N 2.94Å; A1235-F1238 HydrophobicContact CB-CD2 3.62Å; A1235-F1238 HydrophobicContact CB-CE2 4.26Å; A1235-F1238 HydrophobicContact CB-CG 4.36Å; A1235-F1238 WeakPolarHBondContact O-CB 3.36Å; A1235-F1238 PolarHBondContact O-N 3.18Å; A1235-F1266 HydrophobicContact CB-CE1 3.86Å; A1235-F1266 HydrophobicContact CB-CE2 4Å; A1235-F1266 HydrophobicContact CB-CZ 3.48Å; A1235-F1266 VanDerWaalsContact CB-CZ 3.48Å |
| 1236 | R | 83.3 | Confident | 74.3 | Confident | 182 Ų | 182 | 65.1 Ų | 65.1 | 69% | 0.687 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | 131.9 | 177.9 | -99.3 | -175.1 | 173.4 | 161.5 | -2 | 110.7 | F1238 | R1236-F1238 VanDerWaalsContact C-N 3.33Å; R1236-F1238 WeakPolarHBondContact O-CD2 3.49Å |
| 1237 | G | 83.2 | Confident | 75 | Confident | 2 Ų | 2 | 61.7 Ų | 61.7 | 2% | 0.021 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.2 | -11.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | A1235 S1271 C1272 D1281 V1283 | A1235-G1237 PolarHBondContact O-N 2.94Å; G1237-S1271 WeakPolarHBondContact O-CA 2.94Å; G1237-C1272 PolarHBondContact O-N 2.95Å; G1237-D1281 WeakPolarHBondContact CA-O 3.16Å; G1237-D1281 PolarHBondContact N-O 3.11Å; G1237-D1281 VanDerWaalsContact N-O 3.1Å; G1237-V1283 VanDerWaalsContact C-CG2 3.49Å; G1237-V1283 WeakPolarHBondContact O-CG2 3Å |
| 1238 | F | 90 | Very high | 76.1 | Confident | 8 Ų | 8 | 62.9 Ų | 62.9 | 4% | 0.035 | 35% | 0.35 | C | S | . | . | trans | -101.7 | 151.2 | -177.5 | -64.2 | -89.4 | 0 | 0 | 0 | 112.4 | L1224 C1234 A1235 R1236 E1248 D1263 F1266 A1269 Y1270 S1271 | L1224-F1238 HydrophobicContact CD1-CD1 3.88Å; L1224-F1238 HydrophobicContact CD1-CE1 4.01Å; L1224-F1238 HydrophobicContact CD2-CD1 3.62Å; L1224-F1238 HydrophobicContact CD2-CD2 3.87Å; L1224-F1238 HydrophobicContact CD2-CE1 3.52Å; L1224-F1238 HydrophobicContact CD2-CE2 3.77Å; L1224-F1238 HydrophobicContact CD2-CG 3.8Å; L1224-F1238 HydrophobicContact CD2-CZ 3.59Å; L1224-F1238 HydrophobicContact CG-CD1 4.26Å; L1224-F1238 HydrophobicContact CG-CE1 4.39Å; C1234-F1238 HydrophobicContact CB-CB 4.4Å; A1235-F1238 HydrophobicContact CB-CD2 3.62Å; A1235-F1238 HydrophobicContact CB-CE2 4.26Å; A1235-F1238 HydrophobicContact CB-CG 4.36Å; A1235-F1238 WeakPolarHBondContact O-CB 3.36Å; A1235-F1238 PolarHBondContact O-N 3.18Å; R1236-F1238 VanDerWaalsContact C-N 3.33Å; R1236-F1238 WeakPolarHBondContact O-CD2 3.49Å; F1238-E1248 HydrophobicContact CD1-CB 4.39Å; F1238-E1248 HydrophobicContact CE1-CB 4.2Å; F1238-D1263 HydrophobicContact CZ-CB 4.33Å; F1238-F1266 HydrophobicContact CD2-CD2 4.44Å; F1238-F1266 HydrophobicContact CE2-CB 4.32Å; F1238-F1266 AromaticContact CE2-CD2 3.4Å; F1238-F1266 HydrophobicContact CE2-CD2 3.4Å; F1238-F1266 AromaticContact CE2-CE2 3.82Å; F1238-F1266 HydrophobicContact CE2-CE2 3.82Å; F1238-F1266 AromaticContact CE2-CG 3.9Å; F1238-F1266 HydrophobicContact CE2-CG 3.9Å; F1238-F1266 HydrophobicContact CZ-CB 3.89Å; F1238-F1266 AromaticContact CZ-CD2 3.83Å; F1238-F1266 HydrophobicContact CZ-CD2 3.83Å; F1238-F1266 AromaticContact CZ-CG 4Å; F1238-F1266 HydrophobicContact CZ-CG 4Å; F1238-A1269 HydrophobicContact CE1-CB 3.78Å; F1238-A1269 HydrophobicContact CZ-CB 4.09Å; F1238-Y1270 WeakPolarHBondContact CE1-O 3.47Å; F1238-S1271 VanDerWaalsContact CE2-CB 3.45Å | ||
| 1239 | I | 82.6 | Confident | 77.1 | Confident | 17 Ų | 17 | 59.9 Ų | 59.9 | 9% | 0.087 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 125.6 | -159.9 | -47.5 | -168.4 | 0 | 0 | 0 | 110.8 | V1241 C1246 M1247 C1249 N1253 V1283 | I1239-V1241 HydrophobicContact CG2-CG1 4.41Å; I1239-V1241 PolarHBondContact O-N 3.5Å; I1239-V1241 VanDerWaalsContact O-N 3.14Å; I1239-C1246 CarbonylContact O-C 3.49Å; I1239-C1246 WeakPolarHBondContact O-CA 3.47Å; I1239-M1247 PolarHBondContact N-O 2.86Å; I1239-M1247 PolarHBondContact O-N 3.5Å; I1239-C1249 HydrophobicContact CD1-CB 3.77Å; I1239-C1249 HydrophobicContact CG1-CB 4.36Å; I1239-N1253 HydrophobicContact CD1-CB 3.34Å; I1239-V1283 HydrophobicContact CB-CG1 4.41Å; I1239-V1283 HydrophobicContact CD1-CG1 4.42Å; I1239-V1283 HydrophobicContact CG1-CG1 3.98Å; I1239-V1283 HydrophobicContact CG1-CG2 4.09Å; I1239-V1283 HydrophobicContact CG2-CG1 4.19Å |
| 1240 | E | 80.7 | Confident | 78.5 | Confident | 91 Ų | 91 | 59.9 Ų | 59.9 | 43% | 0.425 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 89.1 | 172.8 | -166.2 | 171.3 | -163.9 | 0 | 0 | 109.8 | Q1242 P1243 G1244 V1245 | E1240-Q1242 VanDerWaalsContact CG-O 3.25Å; E1240-Q1242 WeakPolarHBondContact CG-O 3.17Å; E1240-P1243 WeakPolarHBondContact OE1-CA 3.31Å; E1240-G1244 PolarHBondContact OE1-N 3.01Å; E1240-V1245 WeakPolarHBondContact CA-O 3.38Å |
| 1241 | V | 72.7 | Confident | 79.6 | Confident | 73 Ų | 73 | 61.9 Ų | 61.9 | 44% | 0.442 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | -27.6 | 179.3 | -78.6 | 0 | 0 | 0 | 0 | 113.2 | I1239 V1245 M1247 | I1239-V1241 HydrophobicContact CG2-CG1 4.41Å; I1239-V1241 PolarHBondContact O-N 3.5Å; I1239-V1241 VanDerWaalsContact O-N 3.14Å; V1241-V1245 HydrophobicContact CG2-CB 4.47Å; V1241-V1245 HydrophobicContact CG2-CG1 4.13Å; V1241-V1245 PolarHBondContact N-O 3.32Å; V1241-M1247 HydrophobicContact CB-CG 4.49Å; V1241-M1247 HydrophobicContact CB-SD 4.18Å; V1241-M1247 HydrophobicContact CG1-CG 3.86Å; V1241-M1247 HydrophobicContact CG1-SD 3.6Å; V1241-M1247 HydrophobicContact CG2-CG 3.81Å; V1241-M1247 HydrophobicContact CG2-SD 3.58Å; V1241-M1247 VanDerWaalsContact CG2-SD 3.58Å |
| 1242 | Q | 68.5 | Low | 80.6 | Confident | 130 Ų | 130 | 60.8 Ų | 60.8 | 61% | 0.607 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 154 | 171.3 | -59.8 | -178.3 | 2.9 | 0 | 0 | 107.9 | E1240 G1244 V1245 | E1240-Q1242 VanDerWaalsContact CG-O 3.25Å; E1240-Q1242 WeakPolarHBondContact CG-O 3.17Å; Q1242-G1244 PolarHBondContact O-N 2.81Å; Q1242-G1244 VanDerWaalsContact O-N 3.08Å; Q1242-V1245 HydrophobicContact CB-CB 4.07Å; Q1242-V1245 HydrophobicContact CB-CG2 4.06Å; Q1242-V1245 PolarHBondContact O-N 3.01Å |
| 1243 | P | 69.5 | Low | 81.1 | Confident | 127 Ų | 127 | 63.6 Ų | 63.6 | 83% | 0.825 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | 117.5 | 179.8 | -27.7 | 35.9 | 0 | 0 | 0 | 112.3 | E1240 V1245 | E1240-P1243 WeakPolarHBondContact OE1-CA 3.31Å; P1243-V1245 VanDerWaalsContact C-N 3.32Å |
| 1244 | G | 71.7 | Confident | 81.7 | Confident | 6 Ų | 6 | 60.4 Ų | 60.4 | 6% | 0.062 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80 | -0 | -176.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | N1217 E1240 Q1242 | N1217-G1244 PolarHBondContact N-O 3.03Å; E1240-G1244 PolarHBondContact OE1-N 3.01Å; Q1242-G1244 PolarHBondContact O-N 2.81Å; Q1242-G1244 VanDerWaalsContact O-N 3.08Å |
| 1245 | V | 81 | Confident | 82 | Confident | 28 Ų | 28 | 61.5 Ų | 61.5 | 17% | 0.17 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 104.5 | 176.8 | -173.3 | 0 | 0 | 0 | 0 | 110.2 | N1217 I1219 E1240 V1241 Q1242 P1243 | N1217-V1245 VanDerWaalsContact O-CA 3.31Å; N1217-V1245 WeakPolarHBondContact O-CA 3.47Å; I1219-V1245 HydrophobicContact CD1-CG1 3.69Å; I1219-V1245 HydrophobicContact CG1-CG1 4.27Å; E1240-V1245 WeakPolarHBondContact CA-O 3.38Å; V1241-V1245 HydrophobicContact CG2-CB 4.47Å; V1241-V1245 HydrophobicContact CG2-CG1 4.13Å; V1241-V1245 PolarHBondContact N-O 3.32Å; Q1242-V1245 HydrophobicContact CB-CB 4.07Å; Q1242-V1245 HydrophobicContact CB-CG2 4.06Å; Q1242-V1245 PolarHBondContact O-N 3.01Å; P1243-V1245 VanDerWaalsContact C-N 3.32Å |
| 1246 | C | 85.8 | Confident | 82.1 | Confident | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 128.9 | -179.6 | -60.5 | 0 | 0 | 0 | 0 | 110.1 | N1217 G1218 I1219 L1224 A1225 C1234 I1239 | N1217-C1246 PolarHBondContact O-N 3.45Å; N1217-C1246 VanDerWaalsContact O-N 3.09Å; G1218-C1246 CarbonylContact C-O 3.53Å; G1218-C1246 VanDerWaalsContact CA-O 3.3Å; G1218-C1246 WeakPolarHBondContact CA-O 3.41Å; I1219-C1246 PolarHBondContact N-O 3.38Å; L1224-C1246 HydrophobicContact CB-CB 4.31Å; L1224-C1246 WeakPolarHBondContact O-CB 3.32Å; A1225-C1246 HydrophobicContact CB-CB 3.98Å; C1234-C1246 WeakPolarHBondContact CA-SG 3Å; C1234-C1246 HydrophobicContact CB-CB 3.7Å; C1234-C1246 WeakPolarHBondContact CB-SG 3.14Å; C1234-C1246 WeakPolarHBondContact SG-CB 3.22Å; C1234-C1246 CovalentContact SG-SG 2.03Å; C1234-C1246 PolarHBondContact SG-SG 3.26Å; I1239-C1246 CarbonylContact O-C 3.49Å; I1239-C1246 WeakPolarHBondContact O-CA 3.47Å |
| 1247 | M | 87.1 | Confident | 82.4 | Confident | 60 Ų | 60 | 62.6 Ų | 62.6 | 30% | 0.296 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 166.9 | 177.4 | 75.3 | 179.7 | -66.8 | 0 | 0 | 115.1 | I1219 I1239 V1241 | I1219-M1247 HydrophobicContact CB-CB 4.24Å; I1219-M1247 WeakPolarHBondContact O-CA 3.2Å; I1219-M1247 WeakPolarHBondContact O-CB 3.14Å; I1239-M1247 PolarHBondContact N-O 2.86Å; I1239-M1247 PolarHBondContact O-N 3.5Å; V1241-M1247 HydrophobicContact CB-CG 4.49Å; V1241-M1247 HydrophobicContact CB-SD 4.18Å; V1241-M1247 HydrophobicContact CG1-CG 3.86Å; V1241-M1247 HydrophobicContact CG1-SD 3.6Å; V1241-M1247 HydrophobicContact CG2-CG 3.81Å; V1241-M1247 HydrophobicContact CG2-SD 3.58Å; V1241-M1247 VanDerWaalsContact CG2-SD 3.58Å |
| 1248 | E | 87.5 | Confident | 82.8 | Confident | 65 Ų | 65 | 62.5 Ų | 62.5 | 30% | 0.304 | 33% | 0.329 | S | S | . | . | trans | -62.7 | 156.1 | 173.9 | 67.7 | 176.8 | 169.6 | 0 | 0 | 113.2 | I1219 F1238 A1269 Y1270 | I1219-E1248 PolarHBondContact O-N 2.76Å; F1238-E1248 HydrophobicContact CD1-CB 4.39Å; F1238-E1248 HydrophobicContact CE1-CB 4.2Å; E1248-A1269 HydrophobicContact CB-CB 4.46Å; E1248-A1269 WeakPolarHBondContact OE2-CA 3.4Å; E1248-Y1270 CarbonylContact C-O 3.57Å; E1248-Y1270 WeakPolarHBondContact CA-O 3.09Å; E1248-Y1270 WeakPolarHBondContact CB-O 3.37Å; E1248-Y1270 PolarHBondContact OE2-N 3.4Å | ||
| 1249 | C | 85 | Confident | 82.7 | Confident | 8 Ų | 8 | 64 Ų | 64 | 5% | 0.054 | 34% | 0.339 | C | S | . | . | trans | -77.8 | 155.3 | -175.7 | 61.6 | 0 | 0 | 0 | 0 | 113.2 | I1239 C1260 Y1270 S1271 C1272 | I1239-C1249 HydrophobicContact CD1-CB 3.77Å; I1239-C1249 HydrophobicContact CG1-CB 4.36Å; C1249-C1260 HydrophobicContact CB-CB 4.09Å; C1249-C1260 WeakPolarHBondContact CB-SG 3.08Å; C1249-C1260 PolarHBondContact O-SG 3.18Å; C1249-C1260 WeakPolarHBondContact SG-CA 3.34Å; C1249-C1260 WeakPolarHBondContact SG-CB 3.47Å; C1249-C1260 CovalentContact SG-SG 2.04Å; C1249-C1260 PolarHBondContact SG-SG 3.36Å; C1249-Y1270 PolarHBondContact N-O 3.07Å; C1249-Y1270 PolarHBondContact SG-O 2.82Å; C1249-S1271 VanDerWaalsContact SG-CA 3.57Å; C1249-S1271 PolarHBondContact SG-N 2.82Å; C1249-S1271 PolarHBondContact SG-O 3.34Å; C1249-S1271 VanDerWaalsContact SG-O 3.4Å; C1249-C1272 WeakPolarHBondContact CB-SG 3.33Å | ||
| 1250 | V | 84.9 | Confident | 83.2 | Confident | 85 Ų | 85 | 64 Ų | 64 | 52% | 0.515 | 34% | 0.341 | S | S | . | . | trans | -116.2 | 150.2 | 155.5 | -160.1 | 0 | 0 | 0 | 0 | 105.8 | D1252 N1253 | V1250-D1252 PolarHBondContact O-N 3.42Å; V1250-N1253 PolarHBondContact O-N 2.85Å | ||
| 1251 | Q | 82.9 | Confident | 83.5 | Confident | 89 Ų | 89 | 67 Ų | 67 | 42% | 0.416 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | -57.1 | -28.2 | -169.8 | -178 | 53.7 | 70.2 | 0 | 0 | 114.4 | N1253 A1258 C1260 | Q1251-N1253 VanDerWaalsContact C-N 3.35Å; Q1251-A1258 PolarHBondContact NE2-O 2.99Å; Q1251-C1260 HydrophobicContact CB-CB 4.35Å |
| 1252 | D | 81.8 | Confident | 83.9 | Confident | 151 Ų | 151 | 66.7 Ų | 66.7 | 81% | 0.807 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -75.5 | -19.2 | 176.8 | -66.5 | -28.9 | 0 | 0 | 0 | 114.1 | V1250 | V1250-D1252 PolarHBondContact O-N 3.42Š|
| 1253 | N | 82.2 | Confident | 84.3 | Confident | 82 Ų | 82 | 60.8 Ų | 60.8 | 44% | 0.439 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -91.9 | -8 | -176.9 | -61.6 | -17.3 | 0 | 0 | 0 | 113.1 | I1239 V1250 Q1251 | I1239-N1253 HydrophobicContact CD1-CB 3.34Å; V1250-N1253 PolarHBondContact O-N 2.85Å; Q1251-N1253 VanDerWaalsContact C-N 3.35Å |
| 1254 | C | 89.1 | Confident | 84.6 | Confident | 16 Ų | 16 | 63.4 Ų | 63.4 | 11% | 0.108 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -81.4 | 158.7 | 176.2 | -65.3 | 0 | 0 | 0 | 0 | 112 | A1258 C1272 | C1254-A1258 HydrophobicContact CB-CB 4.02Å; C1254-C1272 WeakPolarHBondContact CA-SG 3.15Å; C1254-C1272 HydrophobicContact CB-CB 3.78Å; C1254-C1272 WeakPolarHBondContact CB-SG 3.48Å; C1254-C1272 VanDerWaalsContact SG-CA 3.58Å; C1254-C1272 WeakPolarHBondContact SG-CB 3.32Å; C1254-C1272 CovalentContact SG-SG 2.04Å; C1254-C1272 PolarHBondContact SG-SG 2.77Å |
| 1255 | H | 89.7 | Confident | 84.6 | Confident | 51 Ų | 51 | 70.8 Ų | 70.8 | 24% | 0.236 | 35% | 0.348 | C | S | . | . | trans | -54.6 | 147.2 | 169.5 | -174.1 | -91.4 | 0 | 0 | 0 | 110.4 | D1257 A1258 G1282 V1283 C1286 | H1255-D1257 IonicContact CE1-OD2 3.54Å; H1255-D1257 PolarHBondContact ND1-N 3.42Å; H1255-D1257 VanDerWaalsContact ND1-N 3.17Å; H1255-D1257 IonicContact ND1-OD2 2.72Å; H1255-D1257 PolarHBondContact O-N 3.14Å; H1255-A1258 HydrophobicContact CB-CB 4.21Å; H1255-A1258 WeakPolarHBondContact O-CA 3.46Å; H1255-A1258 WeakPolarHBondContact O-CB 3.25Å; H1255-A1258 PolarHBondContact O-N 2.85Å; H1255-G1282 VanDerWaalsContact CB-O 3.29Å; H1255-G1282 WeakPolarHBondContact CB-O 3.27Å; H1255-G1282 PolarHBondContact N-O 3.03Å; H1255-V1283 PolarHBondContact N-O 2.77Å; H1255-C1286 WeakPolarHBondContact ND1-CB 3.38Å | ||
| 1256 | Q | 86.1 | Confident | 84.2 | Confident | 171 Ų | 171 | 71.9 Ų | 71.9 | 80% | 0.799 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -30.4 | -175.4 | -171 | 173.4 | -0.2 | 0 | 0 | 113 | K1275 | Q1256-K1275 PolarHBondContact O-NZ 3.24Š|
| 1257 | D | 89.5 | Confident | 83.3 | Confident | 54 Ų | 54 | 77.6 Ų | 77.6 | 29% | 0.289 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 23.4 | 173.1 | -58.4 | -52.7 | 0 | 0 | 0 | 114.5 | H1255 K1275 F1278 C1286 | H1255-D1257 IonicContact CE1-OD2 3.54Å; H1255-D1257 PolarHBondContact ND1-N 3.42Å; H1255-D1257 VanDerWaalsContact ND1-N 3.17Å; H1255-D1257 IonicContact ND1-OD2 2.72Å; H1255-D1257 PolarHBondContact O-N 3.14Å; D1257-K1275 WeakPolarHBondContact O-CB 3.32Å; D1257-K1275 WeakPolarHBondContact O-CG 3.07Å; D1257-K1275 PolarHBondContact O-N 2.86Å; D1257-F1278 HydrophobicContact CB-CD1 3.82Å; D1257-F1278 HydrophobicContact CB-CD2 4.41Å; D1257-F1278 HydrophobicContact CB-CE1 3.72Å; D1257-F1278 HydrophobicContact CB-CE2 4.34Å; D1257-F1278 HydrophobicContact CB-CG 4.17Å; D1257-F1278 HydrophobicContact CB-CZ 4Å; D1257-F1278 WeakPolarHBondContact OD2-CE1 3.29Å; D1257-C1286 HydrophobicContact CB-CB 4.03Å |
| 1258 | A | 90 | Very high | 82.7 | Confident | 0 Ų | 0 | 75.9 Ų | 75.9 | 0% | 0 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 162.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q1251 C1254 H1255 C1272 H1273 K1275 G1282 | Q1251-A1258 PolarHBondContact NE2-O 2.99Å; C1254-A1258 HydrophobicContact CB-CB 4.02Å; H1255-A1258 HydrophobicContact CB-CB 4.21Å; H1255-A1258 WeakPolarHBondContact O-CA 3.46Å; H1255-A1258 WeakPolarHBondContact O-CB 3.25Å; H1255-A1258 PolarHBondContact O-N 2.85Å; A1258-C1272 HydrophobicContact CB-CB 4.38Å; A1258-H1273 CarbonylContact C-O 3.45Å; A1258-H1273 WeakPolarHBondContact CA-O 3.48Å; A1258-H1273 WeakPolarHBondContact CB-O 3.18Å; A1258-K1275 VanDerWaalsContact O-CE 3.23Å; A1258-K1275 WeakPolarHBondContact O-CE 3.13Å; A1258-G1282 VanDerWaalsContact CB-O 3.25Å; A1258-G1282 WeakPolarHBondContact CB-O 3.1Å |
| 1259 | V | 88.7 | Confident | 82.2 | Confident | 39 Ų | 39 | 73 Ų | 73 | 24% | 0.236 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 133.9 | 172.5 | 179 | 0 | 0 | 0 | 0 | 107.8 | R1261 H1273 K1275 | V1259-R1261 HydrophobicContact CB-CG 4.47Å; V1259-R1261 HydrophobicContact CG1-CG 3.86Å; V1259-R1261 PolarHBondContact O-N 3.45Å; V1259-H1273 PolarHBondContact N-O 3.2Å; V1259-H1273 PolarHBondContact O-N 2.79Å; V1259-K1275 HydrophobicContact CG2-CD 4.32Å; V1259-K1275 HydrophobicContact CG2-CG 3.84Å |
| 1260 | C | 92.3 | Very high | 82.3 | Confident | 18 Ų | 18 | 78 Ų | 78 | 12% | 0.122 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 119.4 | 175 | -173.5 | 0 | 0 | 0 | 0 | 108.9 | C1249 Q1251 | C1249-C1260 HydrophobicContact CB-CB 4.09Å; C1249-C1260 WeakPolarHBondContact CB-SG 3.08Å; C1249-C1260 PolarHBondContact O-SG 3.18Å; C1249-C1260 WeakPolarHBondContact SG-CA 3.34Å; C1249-C1260 WeakPolarHBondContact SG-CB 3.47Å; C1249-C1260 CovalentContact SG-SG 2.04Å; C1249-C1260 PolarHBondContact SG-SG 3.36Å; Q1251-C1260 HydrophobicContact CB-CB 4.35Å |
| 1261 | R | 87.7 | Confident | 82.5 | Confident | 153 Ų | 153 | 74 Ų | 74 | 58% | 0.577 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142 | 155.7 | -178.9 | -62.9 | -171.1 | 173.9 | 179.3 | -2.7 | 111 | V1259 D1263 Y1270 S1271 | V1259-R1261 HydrophobicContact CB-CG 4.47Å; V1259-R1261 HydrophobicContact CG1-CG 3.86Å; V1259-R1261 PolarHBondContact O-N 3.45Å; R1261-D1263 PolarHBondContact O-N 2.75Å; R1261-Y1270 CarbonylContact O-C 3.56Å; R1261-Y1270 WeakPolarHBondContact O-CA 3.21Å; R1261-S1271 PolarHBondContact N-O 3.43Å; R1261-S1271 PolarHBondContact O-N 2.99Å; R1261-S1271 VanDerWaalsContact O-O 3.12Å |
| 1262 | P | 82 | Confident | 83 | Confident | 68 Ų | 68 | 70 Ų | 70 | 44% | 0.442 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56 | 127.8 | 172.2 | -25.8 | 36.1 | 0 | 0 | 0 | 111.6 | G1268 Y1270 | P1262-G1268 WeakPolarHBondContact CA-O 3.14Å; P1262-G1268 WeakPolarHBondContact CB-O 3.49Å; P1262-Y1270 HydrophobicContact CG-CD1 4.35Å; P1262-Y1270 HydrophobicContact CG-CE1 3.87Å; P1262-Y1270 HydrophobicContact CG-CE2 4.26Å |
| 1263 | D | 75 | Confident | 83.2 | Confident | 6 Ų | 6 | 66 Ų | 66 | 3% | 0.032 | 32% | 0.318 | C | S | . | . | trans | -101.1 | 105.9 | 173.9 | -164 | -31.7 | 0 | 0 | 0 | 109.6 | F1238 R1261 R1265 F1266 G1268 A1269 S1271 H1273 | F1238-D1263 HydrophobicContact CZ-CB 4.33Å; R1261-D1263 PolarHBondContact O-N 2.75Å; D1263-R1265 PolarHBondContact O-N 3.37Å; D1263-R1265 VanDerWaalsContact OD1-CB 3.32Å; D1263-R1265 WeakPolarHBondContact OD1-CB 3.43Å; D1263-R1265 WeakPolarHBondContact OD1-CG 3.4Å; D1263-R1265 IonicContact OD1-CZ 3.28Å; D1263-R1265 PolarHBondContact OD1-N 2.77Å; D1263-R1265 IonicContact OD1-NE 3.61Å; D1263-R1265 PolarHBondContact OD1-NE 3.45Å; D1263-R1265 IonicContact OD1-NH2 3.81Å; D1263-R1265 IonicContact OD2-CZ 3.47Å; D1263-R1265 IonicContact OD2-NE 2.81Å; D1263-R1265 PolarHBondContact OD2-NE 3.43Å; D1263-R1265 IonicContact OD2-NH2 2.8Å; D1263-R1265 PolarHBondContact OD2-NH2 3.17Å; D1263-F1266 HydrophobicContact CB-CD2 4.4Å; D1263-F1266 CarbonylContact O-C 3.58Å; D1263-F1266 PolarHBondContact O-N 2.8Å; D1263-G1268 PolarHBondContact O-N 3.39Å; D1263-A1269 PolarHBondContact N-O 2.04Å; D1263-S1271 PolarHBondContact OD2-OG 2.81Å; D1263-H1273 IonicContact OD2-CE1 3.08Å; D1263-H1273 IonicContact OD2-NE2 2.7Å | ||
| 1264 | E | 76.3 | Confident | 83.5 | Confident | 181 Ų | 181 | 63.6 Ų | 63.6 | 85% | 0.846 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -58.9 | -21.8 | -177.4 | -65.8 | -174.4 | 177.1 | 0 | 0 | 113.1 | F1266 | E1264-F1266 PolarHBondContact O-N 2.92Š|
| 1265 | R | 72.8 | Confident | 83.3 | Confident | 162 Ų | 162 | 66.9 Ų | 66.9 | 61% | 0.611 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | -67.9 | -17.1 | 175.9 | -58.1 | 174.2 | -66.4 | -179.6 | 3.3 | 113.3 | D1263 | D1263-R1265 PolarHBondContact O-N 3.37Å; D1263-R1265 VanDerWaalsContact OD1-CB 3.32Å; D1263-R1265 WeakPolarHBondContact OD1-CB 3.43Å; D1263-R1265 WeakPolarHBondContact OD1-CG 3.4Å; D1263-R1265 IonicContact OD1-CZ 3.28Å; D1263-R1265 PolarHBondContact OD1-N 2.77Å; D1263-R1265 IonicContact OD1-NE 3.61Å; D1263-R1265 PolarHBondContact OD1-NE 3.45Å; D1263-R1265 IonicContact OD1-NH2 3.81Å; D1263-R1265 IonicContact OD2-CZ 3.47Å; D1263-R1265 IonicContact OD2-NE 2.81Å; D1263-R1265 PolarHBondContact OD2-NE 3.43Å; D1263-R1265 IonicContact OD2-NH2 2.8Å; D1263-R1265 PolarHBondContact OD2-NH2 3.17Å |
| 1266 | F | 72.2 | Confident | 82.8 | Confident | 51 Ų | 51 | 69.5 Ų | 69.5 | 22% | 0.224 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -129.4 | 45.8 | -178.2 | -59 | -80 | 0 | 0 | 0 | 110.5 | F1221 L1224 A1235 F1238 D1263 E1264 G1268 A1269 | F1221-F1266 VanDerWaalsContact CE2-O 3.22Å; F1221-F1266 WeakPolarHBondContact CE2-O 3.46Å; L1224-F1266 HydrophobicContact CD2-CB 3.93Å; L1224-F1266 HydrophobicContact CD2-CD1 3.59Å; L1224-F1266 HydrophobicContact CD2-CE1 4.23Å; L1224-F1266 HydrophobicContact CD2-CG 3.75Å; A1235-F1266 HydrophobicContact CB-CE1 3.86Å; A1235-F1266 HydrophobicContact CB-CE2 4Å; A1235-F1266 HydrophobicContact CB-CZ 3.48Å; A1235-F1266 VanDerWaalsContact CB-CZ 3.48Å; F1238-F1266 HydrophobicContact CD2-CD2 4.44Å; F1238-F1266 HydrophobicContact CE2-CB 4.32Å; F1238-F1266 AromaticContact CE2-CD2 3.4Å; F1238-F1266 HydrophobicContact CE2-CD2 3.4Å; F1238-F1266 AromaticContact CE2-CE2 3.82Å; F1238-F1266 HydrophobicContact CE2-CE2 3.82Å; F1238-F1266 AromaticContact CE2-CG 3.9Å; F1238-F1266 HydrophobicContact CE2-CG 3.9Å; F1238-F1266 HydrophobicContact CZ-CB 3.89Å; F1238-F1266 AromaticContact CZ-CD2 3.83Å; F1238-F1266 HydrophobicContact CZ-CD2 3.83Å; F1238-F1266 AromaticContact CZ-CG 4Å; F1238-F1266 HydrophobicContact CZ-CG 4Å; D1263-F1266 HydrophobicContact CB-CD2 4.4Å; D1263-F1266 CarbonylContact O-C 3.58Å; D1263-F1266 PolarHBondContact O-N 2.8Å; E1264-F1266 PolarHBondContact O-N 2.92Å; F1266-G1268 VanDerWaalsContact C-N 3.25Å; F1266-G1268 PolarHBondContact O-N 3.21Å; F1266-A1269 HydrophobicContact CB-CB 4.38Å; F1266-A1269 VanDerWaalsContact O-CB 3.28Å; F1266-A1269 WeakPolarHBondContact O-CB 3.48Å; F1266-A1269 PolarHBondContact O-N 3.45Å; F1266-A1269 VanDerWaalsContact O-N 3.07Å |
| 1267 | N | 67.4 | Low | 82.2 | Confident | 119 Ų | 119 | 62.7 Ų | 62.7 | 64% | 0.636 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 38.7 | 179.5 | -75.8 | 12.9 | 0 | 0 | 0 | 114.1 | F1221 A1269 | F1221-N1267 HydrophobicContact CE2-CB 3.83Å; F1221-N1267 HydrophobicContact CZ-CB 3.95Å; N1267-A1269 PolarHBondContact O-N 3.11Å |
| 1268 | G | 73 | Confident | 82 | Confident | 25 Ų | 25 | 62.7 Ų | 62.7 | 26% | 0.258 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.6 | 6.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | P1262 D1263 F1266 Y1270 | P1262-G1268 WeakPolarHBondContact CA-O 3.14Å; P1262-G1268 WeakPolarHBondContact CB-O 3.49Å; D1263-G1268 PolarHBondContact O-N 3.39Å; F1266-G1268 VanDerWaalsContact C-N 3.25Å; F1266-G1268 PolarHBondContact O-N 3.21Å; G1268-Y1270 PolarHBondContact O-N 2.68Å |
| 1269 | A | 78.5 | Confident | 81.3 | Confident | 4 Ų | 4 | 66.1 Ų | 66.1 | 3% | 0.033 | 35% | 0.345 | C | S | . | . | trans | -54.6 | 136.9 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | F1221 F1238 E1248 D1263 F1266 N1267 S1271 | F1221-A1269 HydrophobicContact CD2-CB 4.17Å; F1221-A1269 HydrophobicContact CE2-CB 3.95Å; F1238-A1269 HydrophobicContact CE1-CB 3.78Å; F1238-A1269 HydrophobicContact CZ-CB 4.09Å; E1248-A1269 HydrophobicContact CB-CB 4.46Å; E1248-A1269 WeakPolarHBondContact OE2-CA 3.4Å; D1263-A1269 PolarHBondContact N-O 2.04Å; F1266-A1269 HydrophobicContact CB-CB 4.38Å; F1266-A1269 VanDerWaalsContact O-CB 3.28Å; F1266-A1269 WeakPolarHBondContact O-CB 3.48Å; F1266-A1269 PolarHBondContact O-N 3.45Å; F1266-A1269 VanDerWaalsContact O-N 3.07Å; N1267-A1269 PolarHBondContact O-N 3.11Å; A1269-S1271 PolarHBondContact O-N 3.14Å | ||
| 1270 | Y | 86.8 | Confident | 81 | Confident | 113 Ų | 113 | 66 Ų | 66 | 44% | 0.443 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 123.3 | -171.6 | -78.9 | -102.9 | 0 | 0 | 0 | 110.8 | F1238 E1248 C1249 R1261 P1262 G1268 | F1238-Y1270 WeakPolarHBondContact CE1-O 3.47Å; E1248-Y1270 CarbonylContact C-O 3.57Å; E1248-Y1270 WeakPolarHBondContact CA-O 3.09Å; E1248-Y1270 WeakPolarHBondContact CB-O 3.37Å; E1248-Y1270 PolarHBondContact OE2-N 3.4Å; C1249-Y1270 PolarHBondContact N-O 3.07Å; C1249-Y1270 PolarHBondContact SG-O 2.82Å; R1261-Y1270 CarbonylContact O-C 3.56Å; R1261-Y1270 WeakPolarHBondContact O-CA 3.21Å; P1262-Y1270 HydrophobicContact CG-CD1 4.35Å; P1262-Y1270 HydrophobicContact CG-CE1 3.87Å; P1262-Y1270 HydrophobicContact CG-CE2 4.26Å; G1268-Y1270 PolarHBondContact O-N 2.68Å |
| 1271 | S | 89.1 | Confident | 80.4 | Confident | 1 Ų | 1 | 67.6 Ų | 67.6 | 1% | 0.007 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 151 | 175.1 | 108.4 | 0 | 0 | 0 | 0 | 111.2 | G1237 F1238 C1249 R1261 D1263 A1269 H1273 | G1237-S1271 WeakPolarHBondContact O-CA 2.94Å; F1238-S1271 VanDerWaalsContact CE2-CB 3.45Å; C1249-S1271 VanDerWaalsContact SG-CA 3.57Å; C1249-S1271 PolarHBondContact SG-N 2.82Å; C1249-S1271 PolarHBondContact SG-O 3.34Å; C1249-S1271 VanDerWaalsContact SG-O 3.4Å; R1261-S1271 PolarHBondContact N-O 3.43Å; R1261-S1271 PolarHBondContact O-N 2.99Å; R1261-S1271 VanDerWaalsContact O-O 3.12Å; D1263-S1271 PolarHBondContact OD2-OG 2.81Å; A1269-S1271 PolarHBondContact O-N 3.14Å; S1271-H1273 PolarHBondContact O-CD2 3.07Å; S1271-H1273 PolarHBondContact O-N 2.79Å; S1271-H1273 PolarHBondContact OG-NE2 2.86Å |
| 1272 | C | 92.2 | Very high | 80.3 | Confident | 5 Ų | 5 | 60.3 Ų | 60.3 | 3% | 0.034 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 113.8 | 176 | -61.7 | 0 | 0 | 0 | 0 | 109.7 | G1237 C1249 C1254 A1258 G1282 V1283 | G1237-C1272 PolarHBondContact O-N 2.95Å; C1249-C1272 WeakPolarHBondContact CB-SG 3.33Å; C1254-C1272 WeakPolarHBondContact CA-SG 3.15Å; C1254-C1272 HydrophobicContact CB-CB 3.78Å; C1254-C1272 WeakPolarHBondContact CB-SG 3.48Å; C1254-C1272 VanDerWaalsContact SG-CA 3.58Å; C1254-C1272 WeakPolarHBondContact SG-CB 3.32Å; C1254-C1272 CovalentContact SG-SG 2.04Å; C1254-C1272 PolarHBondContact SG-SG 2.77Å; A1258-C1272 HydrophobicContact CB-CB 4.38Å; C1272-G1282 WeakPolarHBondContact CB-O 3.02Å; C1272-G1282 WeakPolarHBondContact O-CA 3.21Å; C1272-V1283 HydrophobicContact CB-CG2 4.07Å |
| 1273 | H | 87.2 | Confident | 80.4 | Confident | 67 Ų | 67 | 58.7 Ų | 58.7 | 31% | 0.31 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 128.5 | 172.3 | -65.3 | -93.8 | 0 | 0 | 0 | 109.9 | A1258 V1259 D1263 S1271 K1275 | A1258-H1273 CarbonylContact C-O 3.45Å; A1258-H1273 WeakPolarHBondContact CA-O 3.48Å; A1258-H1273 WeakPolarHBondContact CB-O 3.18Å; V1259-H1273 PolarHBondContact N-O 3.2Å; V1259-H1273 PolarHBondContact O-N 2.79Å; D1263-H1273 IonicContact OD2-CE1 3.08Å; D1263-H1273 IonicContact OD2-NE2 2.7Å; S1271-H1273 PolarHBondContact O-CD2 3.07Å; S1271-H1273 PolarHBondContact O-N 2.79Å; S1271-H1273 PolarHBondContact OG-NE2 2.86Å; H1273-K1275 PolarHBondContact O-N 2.66Å |
| 1274 | C | 87 | Confident | 80.7 | Confident | 31 Ų | 31 | 62.3 Ų | 62.3 | 21% | 0.209 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.5 | 140.7 | 171.9 | -64.7 | 0 | 0 | 0 | 0 | 110.8 | F1278 C1286 | C1274-F1278 HydrophobicContact CB-CB 3.91Å; C1274-F1278 VanDerWaalsContact CB-O 3.23Å; C1274-F1278 WeakPolarHBondContact CB-O 3.3Å; C1274-C1286 WeakPolarHBondContact CA-SG 3.33Å; C1274-C1286 HydrophobicContact CB-CB 3.89Å; C1274-C1286 WeakPolarHBondContact CB-SG 3.47Å; C1274-C1286 VanDerWaalsContact SG-CA 3.57Å; C1274-C1286 WeakPolarHBondContact SG-CB 3.46Å; C1274-C1286 CovalentContact SG-SG 2.05Å; C1274-C1286 PolarHBondContact SG-SG 3.39Å |
| 1275 | K | 85.7 | Confident | 80.9 | Confident | 85 Ų | 85 | 56 Ų | 56 | 37% | 0.37 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 155.4 | 175.8 | -69.6 | 168.3 | -171.8 | 165.8 | 0 | 109.8 | Q1256 D1257 A1258 V1259 H1273 G1277 F1278 | Q1256-K1275 PolarHBondContact O-NZ 3.24Å; D1257-K1275 WeakPolarHBondContact O-CB 3.32Å; D1257-K1275 WeakPolarHBondContact O-CG 3.07Å; D1257-K1275 PolarHBondContact O-N 2.86Å; A1258-K1275 VanDerWaalsContact O-CE 3.23Å; A1258-K1275 WeakPolarHBondContact O-CE 3.13Å; V1259-K1275 HydrophobicContact CG2-CD 4.32Å; V1259-K1275 HydrophobicContact CG2-CG 3.84Å; H1273-K1275 PolarHBondContact O-N 2.66Å; K1275-G1277 PolarHBondContact O-N 2.88Å; K1275-F1278 WeakPolarHBondContact O-CB 3.28Å; K1275-F1278 PolarHBondContact O-N 3.1Å |
| 1276 | A | 80 | Confident | 81.4 | Confident | 107 Ų | 107 | 48.7 Ų | 48.7 | 88% | 0.884 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | 132.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 1277 | G | 72.8 | Confident | 81.6 | Confident | 27 Ų | 27 | 52.9 Ų | 52.9 | 28% | 0.278 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85 | 10.5 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | K1275 P1288 E1289 | K1275-G1277 PolarHBondContact O-N 2.88Å; G1277-P1288 CarbonylContact O-C 3.59Å; G1277-P1288 WeakPolarHBondContact O-CA 3.2Å; G1277-E1289 PolarHBondContact O-N 2.89Å |
| 1278 | F | 84.7 | Confident | 81.5 | Confident | 55 Ų | 55 | 51.6 Ų | 51.6 | 24% | 0.241 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 143.7 | 172.7 | -66.1 | -109.3 | 0 | 0 | 0 | 111.9 | D1257 C1274 K1275 C1286 K1287 P1288 | D1257-F1278 HydrophobicContact CB-CD1 3.82Å; D1257-F1278 HydrophobicContact CB-CD2 4.41Å; D1257-F1278 HydrophobicContact CB-CE1 3.72Å; D1257-F1278 HydrophobicContact CB-CE2 4.34Å; D1257-F1278 HydrophobicContact CB-CG 4.17Å; D1257-F1278 HydrophobicContact CB-CZ 4Å; D1257-F1278 WeakPolarHBondContact OD2-CE1 3.29Å; C1274-F1278 HydrophobicContact CB-CB 3.91Å; C1274-F1278 VanDerWaalsContact CB-O 3.23Å; C1274-F1278 WeakPolarHBondContact CB-O 3.3Å; K1275-F1278 WeakPolarHBondContact O-CB 3.28Å; K1275-F1278 PolarHBondContact O-N 3.1Å; F1278-C1286 HydrophobicContact CB-CB 4.03Å; F1278-C1286 HydrophobicContact CD1-CB 4.19Å; F1278-C1286 HydrophobicContact CG-CB 4.48Å; F1278-K1287 CarbonylContact C-O 3.49Å; F1278-K1287 WeakPolarHBondContact CA-O 3.41Å; F1278-P1288 HydrophobicContact CD1-CG 4.15Å; F1278-P1288 HydrophobicContact CE1-CG 3.86Å; F1278-P1288 HydrophobicContact CZ-CG 4.5Å |
| 1279 | T | 76.4 | Confident | 80.6 | Confident | 72 Ų | 72 | 54.9 Ų | 54.9 | 44% | 0.442 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 148.5 | 173.4 | 40.4 | 0 | 0 | 0 | 0 | 112.1 | K1287 E1289 | T1279-K1287 PolarHBondContact N-O 3.29Å; T1279-K1287 PolarHBondContact O-N 2.03Å; T1279-E1289 HydrophobicContact CG2-CG 3.48Å; T1279-E1289 VanDerWaalsContact CG2-CG 3.48Å; T1279-E1289 VanDerWaalsContact CG2-OE1 3.28Å; T1279-E1289 WeakPolarHBondContact CG2-OE1 3.4Å |
| 1280 | G | 82.5 | Confident | 79 | Confident | 36 Ų | 36 | 60.8 Ų | 60.8 | 37% | 0.371 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 163.4 | -149.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | V1285 | G1280-V1285 CarbonylContact C-O 3.54Å; G1280-V1285 VanDerWaalsContact CA-O 3.25Å; G1280-V1285 WeakPolarHBondContact CA-O 3.18Å |
| 1281 | D | 79.8 | Confident | 76.6 | Confident | 51 Ų | 51 | 60.7 Ų | 60.7 | 27% | 0.273 | 37% | 0.369 | S | S | . | . | trans | -94.9 | -11.6 | 176.8 | 68 | 8.3 | 0 | 0 | 0 | 113.2 | G1237 V1283 S1284 V1285 | G1237-D1281 WeakPolarHBondContact CA-O 3.16Å; G1237-D1281 PolarHBondContact N-O 3.11Å; G1237-D1281 VanDerWaalsContact N-O 3.1Å; D1281-V1283 PolarHBondContact O-N 3.43Å; D1281-V1283 PolarHBondContact OD1-N 3.15Å; D1281-S1284 PolarHBondContact OD1-N 2.96Å; D1281-S1284 PolarHBondContact OD2-OG 3.44Å; D1281-V1285 PolarHBondContact N-O 2.78Å; D1281-V1285 PolarHBondContact OD1-N 3.37Å; D1281-V1285 VanDerWaalsContact OD1-O 3.14Å | ||
| 1282 | G | 84.5 | Confident | 73.8 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 40% | 0.402 | C | S | . | . | S | Bend | trans | 79.9 | -23.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | H1255 A1258 C1272 V1285 | H1255-G1282 VanDerWaalsContact CB-O 3.29Å; H1255-G1282 WeakPolarHBondContact CB-O 3.27Å; H1255-G1282 PolarHBondContact N-O 3.03Å; A1258-G1282 VanDerWaalsContact CB-O 3.25Å; A1258-G1282 WeakPolarHBondContact CB-O 3.1Å; C1272-G1282 WeakPolarHBondContact CB-O 3.02Å; C1272-G1282 WeakPolarHBondContact O-CA 3.21Å; G1282-V1285 PolarHBondContact N-O 3.4Å |
| 1283 | V | 84.2 | Confident | 70.5 | Confident | 34 Ų | 34 | 74.4 Ų | 74.4 | 21% | 0.206 | 44% | 0.441 | C | S | . | . | S | Bend | trans | -98.1 | -52.2 | -170.8 | -177.6 | 0 | 0 | 0 | 0 | 110.8 | G1237 I1239 H1255 C1272 D1281 | G1237-V1283 VanDerWaalsContact C-CG2 3.49Å; G1237-V1283 WeakPolarHBondContact O-CG2 3Å; I1239-V1283 HydrophobicContact CB-CG1 4.41Å; I1239-V1283 HydrophobicContact CD1-CG1 4.42Å; I1239-V1283 HydrophobicContact CG1-CG1 3.98Å; I1239-V1283 HydrophobicContact CG1-CG2 4.09Å; I1239-V1283 HydrophobicContact CG2-CG1 4.19Å; H1255-V1283 PolarHBondContact N-O 2.77Å; C1272-V1283 HydrophobicContact CB-CG2 4.07Å; D1281-V1283 PolarHBondContact O-N 3.43Å; D1281-V1283 PolarHBondContact OD1-N 3.15Å |
| 1284 | S | 81.4 | Confident | 67.7 | Low | 82 Ų | 82 | 79 Ų | 79 | 57% | 0.573 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -115.3 | -21.5 | -176.6 | 79.2 | 0 | 0 | 0 | 0 | 113.3 | D1281 | D1281-S1284 PolarHBondContact OD1-N 2.96Å; D1281-S1284 PolarHBondContact OD2-OG 3.44Å |
| 1285 | V | 81.6 | Confident | 64.8 | Low | 50 Ų | 50 | 84.4 Ų | 84.4 | 30% | 0.303 | 49% | 0.49 | S | S | . | . | trans | -140.8 | 117.9 | -175.8 | 178.6 | 0 | 0 | 0 | 0 | 109.7 | G1280 D1281 G1282 K1287 | G1280-V1285 CarbonylContact C-O 3.54Å; G1280-V1285 VanDerWaalsContact CA-O 3.25Å; G1280-V1285 WeakPolarHBondContact CA-O 3.18Å; D1281-V1285 PolarHBondContact N-O 2.78Å; D1281-V1285 PolarHBondContact OD1-N 3.37Å; D1281-V1285 VanDerWaalsContact OD1-O 3.14Å; G1282-V1285 PolarHBondContact N-O 3.4Å; V1285-K1287 HydrophobicContact CG1-CD 3.98Å; V1285-K1287 HydrophobicContact CG1-CG 3.79Å | ||
| 1286 | C | 83 | Confident | 61.8 | Low | 8 Ų | 8 | 84.3 Ų | 84.3 | 5% | 0.054 | 51% | 0.505 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 119.7 | 149.1 | -67.9 | 0 | 0 | 0 | 0 | 108 | H1255 D1257 C1274 F1278 | H1255-C1286 WeakPolarHBondContact ND1-CB 3.38Å; D1257-C1286 HydrophobicContact CB-CB 4.03Å; C1274-C1286 WeakPolarHBondContact CA-SG 3.33Å; C1274-C1286 HydrophobicContact CB-CB 3.89Å; C1274-C1286 WeakPolarHBondContact CB-SG 3.47Å; C1274-C1286 VanDerWaalsContact SG-CA 3.57Å; C1274-C1286 WeakPolarHBondContact SG-CB 3.46Å; C1274-C1286 CovalentContact SG-SG 2.05Å; C1274-C1286 PolarHBondContact SG-SG 3.39Å; F1278-C1286 HydrophobicContact CB-CB 4.03Å; F1278-C1286 HydrophobicContact CD1-CB 4.19Å; F1278-C1286 HydrophobicContact CG-CB 4.48Å |
| 1287 | K | 75.5 | Confident | 59.2 | Low | 139 Ų | 139 | 85.3 Ų | 85.3 | 60% | 0.604 | 50% | 0.5 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 143.5 | 175.6 | -71.6 | 172.4 | -177.9 | 176.1 | 0 | 108.6 | F1278 T1279 V1285 E1289 | F1278-K1287 CarbonylContact C-O 3.49Å; F1278-K1287 WeakPolarHBondContact CA-O 3.41Å; T1279-K1287 PolarHBondContact N-O 3.29Å; T1279-K1287 PolarHBondContact O-N 2.03Å; V1285-K1287 HydrophobicContact CG1-CD 3.98Å; V1285-K1287 HydrophobicContact CG1-CG 3.79Å; K1287-E1289 PolarHBondContact O-N 3.48Å |
| 1288 | P | 66.1 | Low | 57.1 | Low | 92 Ų | 92 | 89.3 Ų | 89.3 | 60% | 0.597 | 52% | 0.524 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -52.2 | 129.8 | 173.8 | -25.7 | 34 | 0 | 0 | 0 | 110.3 | G1277 F1278 S1290 | G1277-P1288 CarbonylContact O-C 3.59Å; G1277-P1288 WeakPolarHBondContact O-CA 3.2Å; F1278-P1288 HydrophobicContact CD1-CG 4.15Å; F1278-P1288 HydrophobicContact CE1-CG 3.86Å; F1278-P1288 HydrophobicContact CZ-CG 4.5Å; P1288-S1290 PolarHBondContact O-N 3.18Å |
| 1289 | E | 53.9 | Low | 54.2 | Low | 94 Ų | 94 | 91.2 Ų | 91.2 | 44% | 0.439 | 54% | 0.544 | S | S | . | . | trans | -56.6 | 131 | 162.9 | -74 | -176.6 | 126.4 | 0 | 0 | 107.2 | G1277 T1279 K1287 V1291 | G1277-E1289 PolarHBondContact O-N 2.89Å; T1279-E1289 HydrophobicContact CG2-CG 3.48Å; T1279-E1289 VanDerWaalsContact CG2-CG 3.48Å; T1279-E1289 VanDerWaalsContact CG2-OE1 3.28Å; T1279-E1289 WeakPolarHBondContact CG2-OE1 3.4Å; K1287-E1289 PolarHBondContact O-N 3.48Å; E1289-V1291 HydrophobicContact CB-CG2 4.29Å; E1289-V1291 PolarHBondContact O-N 2.83Å | ||
| 1290 | S | 45.6 | Very low | 51.8 | Low | 127 Ų | 127 | 95.4 Ų | 95.4 | 89% | 0.888 | 56% | 0.558 | S | S | * | * | trans | -72.9 | 76.2 | 176 | 49.7 | 0 | 0 | 0 | 0 | 109.2 | P1288 G1292 | P1288-S1290 PolarHBondContact O-N 3.18Å; S1290-G1292 PolarHBondContact O-N 2.78Å | ||
| 1291 | V | 35.7 | Very low | 49.1 | Very low | 111 Ų | 111 | 98.9 Ų | 98.9 | 67% | 0.673 | 57% | 0.573 | S | S | * | * | trans | -65.9 | 111.5 | 176.7 | 175.5 | 0 | 0 | 0 | 0 | 108.6 | E1289 R1293 | E1289-V1291 HydrophobicContact CB-CG2 4.29Å; E1289-V1291 PolarHBondContact O-N 2.83Å; V1291-R1293 PolarHBondContact O-N 3Å | ||
| 1292 | G | 29.7 | Very low | 46.6 | Very low | 67 Ų | 67 | 103.6 Ų | 103.6 | 69% | 0.691 | 60% | 0.596 | S | S | * | * | trans | -62.5 | 125.1 | 154.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | S1290 | S1290-G1292 PolarHBondContact O-N 2.78Š| ||
| 1293 | R | 24.2 | Very low | 44 | Very low | 227 Ų | 227 | 109.1 Ų | 109.1 | 86% | 0.857 | 63% | 0.626 | S | S | * | * | trans | -17.2 | 143.8 | 166.7 | -55.4 | 171.6 | 172.3 | -173.4 | -5 | 114.1 | V1291 | V1291-R1293 PolarHBondContact O-N 3Š| ||
| 1294 | E | 28.1 | Very low | 41.8 | Very low | 165 Ų | 165 | 113 Ų | 113 | 77% | 0.771 | 65% | 0.652 | S | S | * | * | -156.3 | 155.6 | 61 | -79.9 | 167.9 | 162.1 | 0 | 0 | 113.5 | |||||
| 1295 | D | 26.3 | Very low | 40.1 | Very low | 143 Ų | 143 | 113.9 Ų | 113.9 | 77% | 0.765 | 65% | 0.654 | S | S | * | * | trans | 51.4 | 119.8 | 148.4 | -57 | -9 | 0 | 0 | 0 | 120.9 | ||||
| 1296 | A | 22.5 | Very low | 38.7 | Very low | 84 Ų | 84 | 113.5 Ų | 113.5 | 69% | 0.694 | 65% | 0.653 | S | S | * | * | 65.6 | 132.7 | 70.4 | 0 | 0 | 0 | 0 | 0 | 113 | |||||
| 1297 | T | 24.4 | Very low | 37.1 | Very low | 127 Ų | 127 | 116.5 Ų | 116.5 | 78% | 0.779 | 69% | 0.685 | S | S | * | * | cis | -169.7 | 170.5 | 11.8 | 6 | 0 | 0 | 0 | 0 | 110 | ||||
| 1298 | S | 28.2 | Very low | 36.2 | Very low | 112 Ų | 112 | 113.7 Ų | 113.7 | 78% | 0.783 | 70% | 0.696 | S | S | * | * | trans | 61.9 | 126.9 | 166.4 | 53.4 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1299 | S | 23.7 | Very low | 35.9 | Very low | 95 Ų | 95 | 111.5 Ų | 111.5 | 66% | 0.664 | 69% | 0.689 | S | S | * | * | 82.3 | 130.1 | 50.4 | -161 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 1300 | H | 26.5 | Very low | 36.9 | Very low | 159 Ų | 159 | 108.6 Ų | 108.6 | 74% | 0.736 | 68% | 0.679 | S | S | * | * | trans | 96.7 | 100.5 | 169.2 | -64.3 | -76.3 | 0 | 0 | 0 | 121.1 | ||||
| 1301 | T | 27 | Very low | 38.3 | Very low | 110 Ų | 110 | 114.5 Ų | 114.5 | 68% | 0.675 | 68% | 0.682 | S | S | * | * | 65.1 | 124.6 | 124 | 59.1 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 1302 | I | 27.5 | Very low | 40.4 | Very low | 149 Ų | 149 | 110.5 Ų | 110.5 | 76% | 0.764 | 66% | 0.658 | S | S | * | * | trans | 80.5 | 110.4 | 143 | -59.9 | 159.2 | 0 | 0 | 0 | 118 | P1304 | I1302-P1304 WeakPolarHBondContact O-CD 3.24Š| ||
| 1303 | D | 29.5 | Very low | 42.8 | Very low | 117 Ų | 117 | 115.3 Ų | 115.3 | 63% | 0.626 | 66% | 0.655 | S | S | * | * | trans | 4.4 | 109.7 | 143.6 | -161.2 | -0.3 | 0 | 0 | 0 | 117.4 | T1305 | D1303-T1305 WeakPolarHBondContact OD1-CB 3.44Å; D1303-T1305 WeakPolarHBondContact OD1-CG2 3.3Å; D1303-T1305 PolarHBondContact OD1-N 3.11Å; D1303-T1305 PolarHBondContact OD1-OG1 3.33Å | ||
| 1304 | P | 36.6 | Very low | 45.7 | Very low | 116 Ų | 116 | 106 Ų | 106 | 75% | 0.753 | 62% | 0.622 | S | S | * | * | -128.1 | 86.5 | 120.4 | 36.1 | -28.7 | 0 | 0 | 0 | 110.7 | I1302 | I1302-P1304 WeakPolarHBondContact O-CD 3.24Š| |||
| 1305 | T | 45.6 | Very low | 48.3 | Very low | 100 Ų | 100 | 98.6 Ų | 98.6 | 61% | 0.613 | 59% | 0.589 | S | S | * | * | trans | -53.4 | 153.4 | 160.7 | 46.6 | 0 | 0 | 0 | 0 | 111.3 | D1303 G1307 | D1303-T1305 WeakPolarHBondContact OD1-CB 3.44Å; D1303-T1305 WeakPolarHBondContact OD1-CG2 3.3Å; D1303-T1305 PolarHBondContact OD1-N 3.11Å; D1303-T1305 PolarHBondContact OD1-OG1 3.33Å; T1305-G1307 PolarHBondContact O-N 3.42Å | ||
| 1306 | C | 53 | Low | 50.9 | Low | 42 Ų | 42 | 95.8 Ų | 95.8 | 28% | 0.284 | 57% | 0.572 | S | S | . | * | trans | -65.6 | 57.3 | 151.6 | -71 | 0 | 0 | 0 | 0 | 109.4 | G1308 G1309 C1317 G1322 | C1306-G1308 PolarHBondContact O-N 3.45Å; C1306-G1309 PolarHBondContact O-N 3.06Å; C1306-C1317 HydrophobicContact CB-CB 3.83Å; C1306-C1317 WeakPolarHBondContact CB-SG 3.4Å; C1306-C1317 WeakPolarHBondContact SG-CB 3.48Å; C1306-C1317 CovalentContact SG-SG 2.05Å; C1306-C1317 PolarHBondContact SG-SG 2.96Å; C1306-G1322 PolarHBondContact SG-O 2.78Å; C1306-G1322 VanDerWaalsContact SG-O 3.4Å | ||
| 1307 | G | 49 | Very low | 53.7 | Low | 71 Ų | 71 | 93.8 Ų | 93.8 | 73% | 0.732 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | 64.5 | -166.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | T1305 | T1305-G1307 PolarHBondContact O-N 3.42Š|
| 1308 | G | 56.1 | Low | 55.9 | Low | 80 Ų | 80 | 89.2 Ų | 89.2 | 83% | 0.825 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 146.4 | -1.3 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | C1306 | C1306-G1308 PolarHBondContact O-N 3.45Š|
| 1309 | G | 61.2 | Low | 57.5 | Low | 45 Ų | 45 | 95.2 Ų | 95.2 | 46% | 0.464 | 53% | 0.528 | S | S | . | . | trans | 72.5 | 176.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | C1306 | C1306-G1309 PolarHBondContact O-N 3.06Š| ||
| 1310 | C | 75.5 | Confident | 59.4 | Low | 33 Ų | 33 | 101.4 Ų | 101.4 | 22% | 0.223 | 54% | 0.539 | C | S | . | . | trans | -80.2 | 122.2 | 176.5 | -62.9 | 0 | 0 | 0 | 0 | 110.2 | T1312 A1315 E1316 C1317 C1324 | C1310-T1312 PolarHBondContact O-N 2.63Å; C1310-A1315 HydrophobicContact CB-CB 3.91Å; C1310-E1316 VanDerWaalsContact SG-C 3.56Å; C1310-C1317 PolarHBondContact SG-N 3.07Å; C1310-C1317 VanDerWaalsContact SG-N 3.39Å; C1310-C1324 WeakPolarHBondContact CA-SG 3.28Å; C1310-C1324 HydrophobicContact CB-CB 3.85Å; C1310-C1324 WeakPolarHBondContact CB-SG 3.04Å; C1310-C1324 VanDerWaalsContact SG-CA 3.58Å; C1310-C1324 WeakPolarHBondContact SG-CB 3.33Å; C1310-C1324 CovalentContact SG-SG 2.03Å; C1310-C1324 PolarHBondContact SG-SG 2.85Å | ||
| 1311 | R | 73.5 | Confident | 61.6 | Low | 252 Ų | 252 | 98.2 Ų | 98.2 | 95% | 0.951 | 53% | 0.531 | S | S | * | . | trans | -71.9 | -20.6 | 179.6 | -59.9 | -172.5 | -170.8 | -151.8 | 2.2 | 113.3 | ||||
| 1312 | T | 80.6 | Confident | 63.6 | Low | 26 Ų | 26 | 94.9 Ų | 94.9 | 16% | 0.16 | 52% | 0.518 | C | S | . | . | S | Bend | trans | -80.1 | 121.4 | -176.5 | -60.3 | 0 | 0 | 0 | 0 | 110.5 | C1310 N1314 A1315 G1334 E1335 | C1310-T1312 PolarHBondContact O-N 2.63Å; T1312-N1314 PolarHBondContact O-N 2.77Å; T1312-A1315 HydrophobicContact CG2-CB 4.33Å; T1312-A1315 VanDerWaalsContact O-CB 3.3Å; T1312-A1315 WeakPolarHBondContact O-CB 3.49Å; T1312-A1315 PolarHBondContact O-N 2.87Å; T1312-A1315 VanDerWaalsContact O-N 3.1Å; T1312-G1334 VanDerWaalsContact CB-O 3.28Å; T1312-G1334 WeakPolarHBondContact CB-O 3.3Å; T1312-G1334 PolarHBondContact OG1-O 3.18Å; T1312-E1335 PolarHBondContact OG1-O 3.2Å |
| 1313 | R | 80.4 | Confident | 66 | Low | 168 Ų | 168 | 91.2 Ų | 91.2 | 63% | 0.634 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | 138.4 | 172 | 168.7 | 176.7 | 151.7 | -175.4 | -6.9 | 109.7 | A1315 E1356 | R1313-A1315 PolarHBondContact O-N 3.18Å; R1313-E1356 IonicContact CZ-OE1 2.82Å; R1313-E1356 IonicContact NE-OE1 3.62Å; R1313-E1356 VanDerWaalsContact NH2-CD 3.25Å; R1313-E1356 IonicContact NH2-OE1 2.73Å; R1313-E1356 PolarHBondContact NH2-OE1 2.77Å; R1313-E1356 IonicContact NH2-OE2 3.91Å |
| 1314 | N | 84 | Confident | 68.5 | Low | 32 Ų | 32 | 86.2 Ų | 86.2 | 17% | 0.171 | 48% | 0.477 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64.3 | 16.1 | -177.7 | -55.4 | -24.8 | 0 | 0 | 0 | 115.4 | T1312 R1327 Y1330 C1338 E1356 | T1312-N1314 PolarHBondContact O-N 2.77Å; N1314-R1327 WeakPolarHBondContact O-CB 3.16Å; N1314-R1327 WeakPolarHBondContact O-CG 3.34Å; N1314-R1327 PolarHBondContact O-N 2.79Å; N1314-Y1330 HydrophobicContact CB-CD1 3.83Å; N1314-Y1330 HydrophobicContact CB-CD2 4.04Å; N1314-Y1330 HydrophobicContact CB-CE1 3.98Å; N1314-Y1330 HydrophobicContact CB-CE2 4.15Å; N1314-Y1330 HydrophobicContact CB-CG 3.89Å; N1314-Y1330 WeakPolarHBondContact ND2-CE1 3.34Å; N1314-C1338 HydrophobicContact CB-CB 4.03Å; N1314-E1356 PolarHBondContact ND2-OE1 2.89Å |
| 1315 | A | 84.3 | Confident | 70.8 | Confident | 10 Ų | 10 | 84.6 Ų | 84.6 | 8% | 0.083 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 160.7 | 164.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | C1310 T1312 R1313 C1324 K1325 R1327 G1334 | C1310-A1315 HydrophobicContact CB-CB 3.91Å; T1312-A1315 HydrophobicContact CG2-CB 4.33Å; T1312-A1315 VanDerWaalsContact O-CB 3.3Å; T1312-A1315 WeakPolarHBondContact O-CB 3.49Å; T1312-A1315 PolarHBondContact O-N 2.87Å; T1312-A1315 VanDerWaalsContact O-N 3.1Å; R1313-A1315 PolarHBondContact O-N 3.18Å; A1315-C1324 HydrophobicContact CB-CB 4.33Å; A1315-K1325 CarbonylContact C-O 3.53Å; A1315-K1325 VanDerWaalsContact CA-O 3.22Å; A1315-K1325 WeakPolarHBondContact CA-O 3.45Å; A1315-R1327 PolarHBondContact O-NE 3.29Å; A1315-G1334 WeakPolarHBondContact CB-O 3.33Å |
| 1316 | E | 80 | Confident | 72.7 | Confident | 83 Ų | 83 | 81 Ų | 81 | 39% | 0.388 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 145.4 | 169.9 | 60.5 | 176.7 | -141.9 | 0 | 0 | 109.8 | C1310 D1318 C1324 K1325 R1327 | C1310-E1316 VanDerWaalsContact SG-C 3.56Å; E1316-D1318 PolarHBondContact O-N 2.65Å; E1316-C1324 WeakPolarHBondContact O-CA 3.45Å; E1316-K1325 HydrophobicContact CG-CG 3.88Å; E1316-K1325 PolarHBondContact N-O 2.77Å; E1316-K1325 PolarHBondContact O-N 2.99Å; E1316-K1325 WeakPolarHBondContact OE1-CE 3.32Å; E1316-K1325 IonicContact OE1-NZ 3.95Å; E1316-R1327 HydrophobicContact CB-CG 4.15Å; E1316-R1327 HydrophobicContact CG-CG 4.17Å |
| 1317 | C | 80.9 | Confident | 74 | Confident | 43 Ų | 43 | 85.5 Ų | 85.5 | 29% | 0.291 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 120.2 | 175.8 | 173.7 | 0 | 0 | 0 | 0 | 108.8 | C1306 C1310 R1319 | C1306-C1317 HydrophobicContact CB-CB 3.83Å; C1306-C1317 WeakPolarHBondContact CB-SG 3.4Å; C1306-C1317 WeakPolarHBondContact SG-CB 3.48Å; C1306-C1317 CovalentContact SG-SG 2.05Å; C1306-C1317 PolarHBondContact SG-SG 2.96Å; C1310-C1317 PolarHBondContact SG-N 3.07Å; C1310-C1317 VanDerWaalsContact SG-N 3.39Å; C1317-R1319 PolarHBondContact O-N 3.48Å |
| 1318 | D | 70.4 | Confident | 75.7 | Confident | 30 Ų | 30 | 88.1 Ų | 88.1 | 16% | 0.16 | 45% | 0.454 | C | S | . | . | trans | -71.3 | 113.2 | 170.4 | -167.4 | -50.2 | 0 | 0 | 0 | 109.2 | E1316 Y1320 T1321 G1322 T1323 K1325 | E1316-D1318 PolarHBondContact O-N 2.65Å; D1318-Y1320 PolarHBondContact O-N 3.47Å; D1318-Y1320 VanDerWaalsContact O-N 3.12Å; D1318-Y1320 WeakPolarHBondContact OD1-CB 3.37Å; D1318-Y1320 PolarHBondContact OD1-N 2.86Å; D1318-T1321 WeakPolarHBondContact CB-OG1 3.35Å; D1318-T1321 PolarHBondContact O-N 3.12Å; D1318-G1322 WeakPolarHBondContact O-CA 3.18Å; D1318-G1322 PolarHBondContact O-N 3.29Å; D1318-T1323 PolarHBondContact N-O 2.78Å; D1318-K1325 HydrophobicContact CB-CD 4.01Å; D1318-K1325 HydrophobicContact CB-CG 4.43Å; D1318-K1325 WeakPolarHBondContact OD2-CE 3.2Å; D1318-K1325 IonicContact OD2-NZ 3.5Å; D1318-K1325 PolarHBondContact OD2-NZ 3.3Å | ||
| 1319 | R | 61.5 | Low | 76.6 | Confident | 239 Ų | 239 | 85 Ų | 85 | 90% | 0.902 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -16.5 | -175.7 | -57.8 | -172.4 | -167.3 | 179.4 | 5 | 113.6 | C1317 | C1317-R1319 PolarHBondContact O-N 3.48Š|
| 1320 | Y | 64 | Low | 77.9 | Confident | 225 Ų | 225 | 85 Ų | 85 | 88% | 0.882 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | -32.1 | -179.9 | -64 | -81.5 | 0 | 0 | 0 | 113.1 | D1318 | D1318-Y1320 PolarHBondContact O-N 3.47Å; D1318-Y1320 VanDerWaalsContact O-N 3.12Å; D1318-Y1320 WeakPolarHBondContact OD1-CB 3.37Å; D1318-Y1320 PolarHBondContact OD1-N 2.86Å |
| 1321 | T | 73.1 | Confident | 78.2 | Confident | 92 Ų | 92 | 86.3 Ų | 86.3 | 56% | 0.564 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.4 | -15.3 | -178.6 | 60.2 | 0 | 0 | 0 | 0 | 114.1 | D1318 T1323 | D1318-T1321 WeakPolarHBondContact CB-OG1 3.35Å; D1318-T1321 PolarHBondContact O-N 3.12Å; T1321-T1323 PolarHBondContact O-N 2.86Å; T1321-T1323 PolarHBondContact OG1-OG1 2.79Å |
| 1322 | G | 69.7 | Low | 78.8 | Confident | 39 Ų | 39 | 76.7 Ų | 76.7 | 40% | 0.402 | 39% | 0.393 | S | S | . | . | trans | 70.6 | 12.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | C1306 D1318 | C1306-G1322 PolarHBondContact SG-O 2.78Å; C1306-G1322 VanDerWaalsContact SG-O 3.4Å; D1318-G1322 WeakPolarHBondContact O-CA 3.18Å; D1318-G1322 PolarHBondContact O-N 3.29Å | ||
| 1323 | T | 78.1 | Confident | 78.7 | Confident | 72 Ų | 72 | 79.3 Ų | 79.3 | 44% | 0.442 | 41% | 0.406 | S | S | . | . | trans | -105.1 | 145.8 | -179.5 | 57 | 0 | 0 | 0 | 0 | 111 | D1318 T1321 | D1318-T1323 PolarHBondContact N-O 2.78Å; T1321-T1323 PolarHBondContact O-N 2.86Å; T1321-T1323 PolarHBondContact OG1-OG1 2.79Å | ||
| 1324 | C | 81.2 | Confident | 78.5 | Confident | 13 Ų | 13 | 71.3 Ų | 71.3 | 9% | 0.088 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 134.5 | 170.1 | -63.4 | 0 | 0 | 0 | 0 | 110.6 | C1310 A1315 E1316 G1334 E1335 | C1310-C1324 WeakPolarHBondContact CA-SG 3.28Å; C1310-C1324 HydrophobicContact CB-CB 3.85Å; C1310-C1324 WeakPolarHBondContact CB-SG 3.04Å; C1310-C1324 VanDerWaalsContact SG-CA 3.58Å; C1310-C1324 WeakPolarHBondContact SG-CB 3.33Å; C1310-C1324 CovalentContact SG-SG 2.03Å; C1310-C1324 PolarHBondContact SG-SG 2.85Å; A1315-C1324 HydrophobicContact CB-CB 4.33Å; E1316-C1324 WeakPolarHBondContact O-CA 3.45Å; C1324-G1334 WeakPolarHBondContact CB-O 3.2Å; C1324-G1334 WeakPolarHBondContact O-CA 3.32Å; C1324-E1335 VanDerWaalsContact CB-OE1 3.25Å; C1324-E1335 WeakPolarHBondContact CB-OE1 3.4Å; C1324-E1335 PolarHBondContact N-OE1 2.81Å |
| 1325 | K | 83.9 | Confident | 78.2 | Confident | 82 Ų | 82 | 75 Ų | 75 | 36% | 0.357 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 156.6 | 172.3 | 65.9 | -179.8 | 179.8 | -169.9 | 0 | 109.6 | A1315 E1316 D1318 | A1315-K1325 CarbonylContact C-O 3.53Å; A1315-K1325 VanDerWaalsContact CA-O 3.22Å; A1315-K1325 WeakPolarHBondContact CA-O 3.45Å; E1316-K1325 HydrophobicContact CG-CG 3.88Å; E1316-K1325 PolarHBondContact N-O 2.77Å; E1316-K1325 PolarHBondContact O-N 2.99Å; E1316-K1325 WeakPolarHBondContact OE1-CE 3.32Å; E1316-K1325 IonicContact OE1-NZ 3.95Å; D1318-K1325 HydrophobicContact CB-CD 4.01Å; D1318-K1325 HydrophobicContact CB-CG 4.43Å; D1318-K1325 WeakPolarHBondContact OD2-CE 3.2Å; D1318-K1325 IonicContact OD2-NZ 3.5Å; D1318-K1325 PolarHBondContact OD2-NZ 3.3Å |
| 1326 | C | 85.5 | Confident | 78 | Confident | 24 Ų | 24 | 85 Ų | 85 | 16% | 0.162 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 141.8 | 176.4 | -60.6 | 0 | 0 | 0 | 0 | 111.7 | Y1330 G1332 C1338 | C1326-Y1330 WeakPolarHBondContact CB-O 3.21Å; C1326-G1332 VanDerWaalsContact SG-C 3.52Å; C1326-G1332 WeakPolarHBondContact SG-CA 3.4Å; C1326-C1338 WeakPolarHBondContact CA-SG 3.19Å; C1326-C1338 HydrophobicContact CB-CB 3.76Å; C1326-C1338 WeakPolarHBondContact CB-SG 3.14Å; C1326-C1338 WeakPolarHBondContact SG-CA 3.4Å; C1326-C1338 WeakPolarHBondContact SG-CB 3.3Å; C1326-C1338 CovalentContact SG-SG 2.04Å; C1326-C1338 PolarHBondContact SG-SG 2.94Å |
| 1327 | R | 81.9 | Confident | 78 | Confident | 136 Ų | 136 | 81.3 Ų | 81.3 | 51% | 0.513 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 156.5 | 172.8 | -69.5 | -178.7 | -177.6 | -155.6 | -1.6 | 110.3 | N1314 A1315 E1316 G1329 Y1330 | N1314-R1327 WeakPolarHBondContact O-CB 3.16Å; N1314-R1327 WeakPolarHBondContact O-CG 3.34Å; N1314-R1327 PolarHBondContact O-N 2.79Å; A1315-R1327 PolarHBondContact O-NE 3.29Å; E1316-R1327 HydrophobicContact CB-CG 4.15Å; E1316-R1327 HydrophobicContact CG-CG 4.17Å; R1327-G1329 PolarHBondContact O-N 2.56Å; R1327-Y1330 HydrophobicContact CB-CD2 4.2Å; R1327-Y1330 PolarHBondContact O-N 2.82Å |
| 1328 | S | 83.1 | Confident | 78.3 | Confident | 126 Ų | 126 | 79.8 Ų | 79.8 | 88% | 0.881 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.8 | 132.2 | 173.9 | -168.3 | 0 | 0 | 0 | 0 | 111 | ||
| 1329 | G | 76.2 | Confident | 79 | Confident | 16 Ų | 16 | 84.8 Ų | 84.8 | 17% | 0.165 | 42% | 0.42 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 94.7 | -6.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | R1327 N1341 | R1327-G1329 PolarHBondContact O-N 2.56Å; G1329-N1341 WeakPolarHBondContact O-CB 3.03Å; G1329-N1341 PolarHBondContact O-N 3.41Å |
| 1330 | Y | 87.5 | Confident | 80.1 | Confident | 45 Ų | 45 | 74.8 Ų | 74.8 | 18% | 0.176 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 133.4 | -179.6 | -60.5 | -92 | 0 | 0 | 0 | 112 | N1314 C1326 R1327 Y1339 W1340 E1356 | N1314-Y1330 HydrophobicContact CB-CD1 3.83Å; N1314-Y1330 HydrophobicContact CB-CD2 4.04Å; N1314-Y1330 HydrophobicContact CB-CE1 3.98Å; N1314-Y1330 HydrophobicContact CB-CE2 4.15Å; N1314-Y1330 HydrophobicContact CB-CG 3.89Å; N1314-Y1330 WeakPolarHBondContact ND2-CE1 3.34Å; C1326-Y1330 WeakPolarHBondContact CB-O 3.21Å; R1327-Y1330 HydrophobicContact CB-CD2 4.2Å; R1327-Y1330 PolarHBondContact O-N 2.82Å; Y1330-Y1339 CarbonylContact C-O 3.51Å; Y1330-Y1339 VanDerWaalsContact CA-O 3.3Å; Y1330-Y1339 WeakPolarHBondContact CA-O 3.49Å; Y1330-W1340 HydrophobicContact CE1-CB 4.44Å; Y1330-W1340 HydrophobicContact CE1-CE3 4.19Å; Y1330-E1356 WeakPolarHBondContact CE1-OE1 3.24Å; Y1330-E1356 PolarHBondContact OH-OE2 3.11Å; Y1330-E1356 VanDerWaalsContact OH-OE2 3.05Å |
| 1331 | D | 82 | Confident | 81.1 | Confident | 60 Ų | 60 | 65.3 Ų | 65.3 | 32% | 0.321 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 134.7 | 171.7 | -88.9 | -3.4 | 0 | 0 | 0 | 109.1 | Y1339 N1341 K1343 | D1331-Y1339 PolarHBondContact N-O 3.13Å; D1331-Y1339 PolarHBondContact O-N 3.44Å; D1331-N1341 VanDerWaalsContact CG-ND2 3.28Å; D1331-N1341 PolarHBondContact OD1-ND2 2.72Å; D1331-N1341 PolarHBondContact OD2-ND2 3.13Å; D1331-N1341 PolarHBondContact OD2-OD1 2.78Å; D1331-K1343 IonicContact OD2-NZ 3.45Å; D1331-K1343 PolarHBondContact OD2-NZ 2.97Å |
| 1332 | G | 85.7 | Confident | 81.6 | Confident | 50 Ų | 50 | 62.9 Ų | 62.9 | 52% | 0.515 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 165.9 | -176.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | C1326 G1337 | C1326-G1332 VanDerWaalsContact SG-C 3.52Å; C1326-G1332 WeakPolarHBondContact SG-CA 3.4Å; G1332-G1337 VanDerWaalsContact CA-O 3.28Å; G1332-G1337 WeakPolarHBondContact CA-O 3.25Å |
| 1333 | D | 78.7 | Confident | 82.3 | Confident | 80 Ų | 80 | 68.8 Ų | 68.8 | 43% | 0.428 | 35% | 0.348 | S | S | . | . | trans | -97.7 | 1.4 | 179.8 | 66.8 | -5.5 | 0 | 0 | 0 | 113.6 | E1335 R1336 G1337 | D1333-E1335 PolarHBondContact O-N 2.81Å; D1333-E1335 PolarHBondContact OD1-N 2.86Å; D1333-R1336 WeakPolarHBondContact OD1-CA 3.24Å; D1333-R1336 WeakPolarHBondContact OD1-CB 3.44Å; D1333-R1336 PolarHBondContact OD1-N 2.83Å; D1333-R1336 WeakPolarHBondContact OD2-CB 3.34Å; D1333-R1336 VanDerWaalsContact OD2-CD 3.31Å; D1333-R1336 WeakPolarHBondContact OD2-CD 3.34Å; D1333-R1336 VanDerWaalsContact OD2-CG 3.28Å; D1333-R1336 WeakPolarHBondContact OD2-CG 3.36Å; D1333-G1337 PolarHBondContact N-O 2.75Å; D1333-G1337 PolarHBondContact OD1-N 3.35Å | ||
| 1334 | G | 76.7 | Confident | 82.5 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 35% | 0.346 | C | S | . | . | S | Bend | trans | 73.6 | -31.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115 | T1312 A1315 C1324 | T1312-G1334 VanDerWaalsContact CB-O 3.28Å; T1312-G1334 WeakPolarHBondContact CB-O 3.3Å; T1312-G1334 PolarHBondContact OG1-O 3.18Å; A1315-G1334 WeakPolarHBondContact CB-O 3.33Å; C1324-G1334 WeakPolarHBondContact CB-O 3.2Å; C1324-G1334 WeakPolarHBondContact O-CA 3.32Å |
| 1335 | E | 78.9 | Confident | 82.8 | Confident | 110 Ų | 110 | 69.3 Ų | 69.3 | 51% | 0.514 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -95.9 | -36.2 | -176 | -64.9 | -63.3 | 161.5 | 0 | 0 | 113.6 | T1312 C1324 D1333 | T1312-E1335 PolarHBondContact OG1-O 3.2Å; C1324-E1335 VanDerWaalsContact CB-OE1 3.25Å; C1324-E1335 WeakPolarHBondContact CB-OE1 3.4Å; C1324-E1335 PolarHBondContact N-OE1 2.81Å; D1333-E1335 PolarHBondContact O-N 2.81Å; D1333-E1335 PolarHBondContact OD1-N 2.86Å |
| 1336 | R | 78.8 | Confident | 83 | Confident | 219 Ų | 219 | 68 Ų | 68 | 83% | 0.826 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -105.4 | -29 | -179.6 | -60.7 | 178.7 | 173 | 167.1 | -1.9 | 113.6 | D1333 | D1333-R1336 WeakPolarHBondContact OD1-CA 3.24Å; D1333-R1336 WeakPolarHBondContact OD1-CB 3.44Å; D1333-R1336 PolarHBondContact OD1-N 2.83Å; D1333-R1336 WeakPolarHBondContact OD2-CB 3.34Å; D1333-R1336 VanDerWaalsContact OD2-CD 3.31Å; D1333-R1336 WeakPolarHBondContact OD2-CD 3.34Å; D1333-R1336 VanDerWaalsContact OD2-CG 3.28Å; D1333-R1336 WeakPolarHBondContact OD2-CG 3.36Å |
| 1337 | G | 80.8 | Confident | 82.9 | Confident | 7 Ų | 7 | 72.3 Ų | 72.3 | 7% | 0.072 | 37% | 0.373 | C | S | . | . | trans | -179.6 | 147.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | G1332 D1333 | G1332-G1337 VanDerWaalsContact CA-O 3.28Å; G1332-G1337 WeakPolarHBondContact CA-O 3.25Å; D1333-G1337 PolarHBondContact N-O 2.75Å; D1333-G1337 PolarHBondContact OD1-N 3.35Å | ||
| 1338 | C | 87.2 | Confident | 83 | Confident | 11 Ų | 11 | 68.5 Ų | 68.5 | 7% | 0.074 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 122.2 | 170.8 | -66.8 | 0 | 0 | 0 | 0 | 108.9 | N1314 C1326 | N1314-C1338 HydrophobicContact CB-CB 4.03Å; C1326-C1338 WeakPolarHBondContact CA-SG 3.19Å; C1326-C1338 HydrophobicContact CB-CB 3.76Å; C1326-C1338 WeakPolarHBondContact CB-SG 3.14Å; C1326-C1338 WeakPolarHBondContact SG-CA 3.4Å; C1326-C1338 WeakPolarHBondContact SG-CB 3.3Å; C1326-C1338 CovalentContact SG-SG 2.04Å; C1326-C1338 PolarHBondContact SG-SG 2.94Å |
| 1339 | Y | 85.2 | Confident | 83.2 | Confident | 135 Ų | 135 | 63.4 Ų | 63.4 | 53% | 0.529 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 145.3 | -171.7 | -50.3 | -83.1 | 0 | 0 | 0 | 110.5 | Y1330 D1331 N1341 | Y1330-Y1339 CarbonylContact C-O 3.51Å; Y1330-Y1339 VanDerWaalsContact CA-O 3.3Å; Y1330-Y1339 WeakPolarHBondContact CA-O 3.49Å; D1331-Y1339 PolarHBondContact N-O 3.13Å; D1331-Y1339 PolarHBondContact O-N 3.44Å; Y1339-N1341 PolarHBondContact O-N 2.82Å |
| 1340 | W | 83.8 | Confident | 83.6 | Confident | 29 Ų | 29 | 67.5 Ų | 67.5 | 11% | 0.11 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -51.5 | 127.8 | -179.8 | 176.1 | -110.5 | 0 | 0 | 0 | 112 | Y1330 C1342 L1344 E1356 | Y1330-W1340 HydrophobicContact CE1-CB 4.44Å; Y1330-W1340 HydrophobicContact CE1-CE3 4.19Å; W1340-C1342 PolarHBondContact O-N 2.94Å; W1340-L1344 HydrophobicContact CH2-CD1 3.92Å; W1340-L1344 HydrophobicContact CZ2-CB 4.29Å; W1340-L1344 HydrophobicContact CZ2-CD1 4.2Å; W1340-L1344 HydrophobicContact CZ3-CD1 4.4Å; W1340-E1356 HydrophobicContact CB-CB 4.29Å; W1340-E1356 HydrophobicContact CB-CG 4.2Å; W1340-E1356 HydrophobicContact CD2-CB 4.4Å; W1340-E1356 HydrophobicContact CE3-CB 4.43Å; W1340-E1356 HydrophobicContact CG-CB 4.33Å |
| 1341 | N | 85.6 | Confident | 83.5 | Confident | 25 Ų | 25 | 67.2 Ų | 67.2 | 13% | 0.134 | 35% | 0.354 | C | S | . | . | trans | -79.6 | 91.6 | -175.6 | -168.9 | -13.7 | 0 | 0 | 0 | 110.9 | G1329 D1331 Y1339 K1343 L1344 | G1329-N1341 WeakPolarHBondContact O-CB 3.03Å; G1329-N1341 PolarHBondContact O-N 3.41Å; D1331-N1341 VanDerWaalsContact CG-ND2 3.28Å; D1331-N1341 PolarHBondContact OD1-ND2 2.72Å; D1331-N1341 PolarHBondContact OD2-ND2 3.13Å; D1331-N1341 PolarHBondContact OD2-OD1 2.78Å; Y1339-N1341 PolarHBondContact O-N 2.82Å; N1341-K1343 PolarHBondContact O-N 2.88Å; N1341-K1343 VanDerWaalsContact OD1-CB 3.25Å; N1341-K1343 WeakPolarHBondContact OD1-CB 3.49Å; N1341-K1343 WeakPolarHBondContact OD1-CG 3.44Å; N1341-K1343 PolarHBondContact OD1-N 3.01Å; N1341-K1343 VanDerWaalsContact OD1-N 3.1Å; N1341-L1344 HydrophobicContact CB-CD1 4.42Å; N1341-L1344 HydrophobicContact CB-CG 4.4Å; N1341-L1344 WeakPolarHBondContact O-CB 3.37Å; N1341-L1344 PolarHBondContact O-N 3.23Å | ||
| 1342 | C | 83.5 | Confident | 83.5 | Confident | 41 Ų | 41 | 65.7 Ų | 65.7 | 28% | 0.277 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -56.2 | -12 | 177.4 | -64.5 | 0 | 0 | 0 | 0 | 115.4 | W1340 L1344 C1345 C1351 R1353 | W1340-C1342 PolarHBondContact O-N 2.94Å; C1342-L1344 PolarHBondContact O-N 3.1Å; C1342-C1345 WeakPolarHBondContact O-CB 3.22Å; C1342-C1345 PolarHBondContact O-N 2.71Å; C1342-C1351 WeakPolarHBondContact CA-SG 3.42Å; C1342-C1351 HydrophobicContact CB-CB 3.62Å; C1342-C1351 WeakPolarHBondContact CB-SG 3.35Å; C1342-C1351 WeakPolarHBondContact SG-CB 3.27Å; C1342-C1351 CovalentContact SG-SG 2.04Å; C1342-C1351 PolarHBondContact SG-SG 2.92Å; C1342-R1353 VanDerWaalsContact SG-CG 3.58Å; C1342-R1353 PolarHBondContact SG-NE 3.3Å; C1342-R1353 VanDerWaalsContact SG-NE 3.43Å |
| 1343 | K | 84.5 | Confident | 83.2 | Confident | 164 Ų | 164 | 70 Ų | 70 | 71% | 0.713 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -69.8 | -14.2 | 171.6 | -57.2 | 168.7 | -170.7 | 136.3 | 0 | 112.7 | D1331 N1341 C1345 | D1331-K1343 IonicContact OD2-NZ 3.45Å; D1331-K1343 PolarHBondContact OD2-NZ 2.97Å; N1341-K1343 PolarHBondContact O-N 2.88Å; N1341-K1343 VanDerWaalsContact OD1-CB 3.25Å; N1341-K1343 WeakPolarHBondContact OD1-CB 3.49Å; N1341-K1343 WeakPolarHBondContact OD1-CG 3.44Å; N1341-K1343 PolarHBondContact OD1-N 3.01Å; N1341-K1343 VanDerWaalsContact OD1-N 3.1Å; K1343-C1345 VanDerWaalsContact C-N 3.33Å |
| 1344 | L | 83 | Confident | 83.1 | Confident | 80 Ų | 80 | 74.4 Ų | 74.4 | 42% | 0.419 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -79.4 | -14.2 | 171.2 | -64.3 | 178.9 | 0 | 0 | 0 | 113.3 | W1340 N1341 C1342 | W1340-L1344 HydrophobicContact CH2-CD1 3.92Å; W1340-L1344 HydrophobicContact CZ2-CB 4.29Å; W1340-L1344 HydrophobicContact CZ2-CD1 4.2Å; W1340-L1344 HydrophobicContact CZ3-CD1 4.4Å; N1341-L1344 HydrophobicContact CB-CD1 4.42Å; N1341-L1344 HydrophobicContact CB-CG 4.4Å; N1341-L1344 WeakPolarHBondContact O-CB 3.37Å; N1341-L1344 PolarHBondContact O-N 3.23Å; C1342-L1344 PolarHBondContact O-N 3.1Å |
| 1345 | C | 87 | Confident | 83.3 | Confident | 16 Ų | 16 | 79.2 Ų | 79.2 | 11% | 0.108 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -78.3 | 140.2 | 172.7 | -58.9 | 0 | 0 | 0 | 0 | 110.2 | C1342 K1343 A1349 C1358 G1368 | C1342-C1345 WeakPolarHBondContact O-CB 3.22Å; C1342-C1345 PolarHBondContact O-N 2.71Å; K1343-C1345 VanDerWaalsContact C-N 3.33Å; C1345-A1349 HydrophobicContact CB-CB 4.34Å; C1345-C1358 WeakPolarHBondContact CA-SG 3.08Å; C1345-C1358 HydrophobicContact CB-CB 3.72Å; C1345-C1358 WeakPolarHBondContact CB-SG 3.26Å; C1345-C1358 WeakPolarHBondContact SG-CB 3.49Å; C1345-C1358 CovalentContact SG-SG 2.04Å; C1345-C1358 PolarHBondContact SG-SG 3.14Å; C1345-G1368 CarbonylContact C-O 3.59Å; C1345-G1368 WeakPolarHBondContact CA-O 3.49Å |
| 1346 | H | 87.6 | Confident | 83.5 | Confident | 54 Ų | 54 | 76.6 Ų | 76.6 | 25% | 0.25 | 38% | 0.378 | C | S | . | . | trans | -55.2 | 144.2 | 170.4 | -179.6 | -103.2 | 0 | 0 | 0 | 109.7 | S1348 A1349 G1368 Q1369 T1370 C1372 | H1346-S1348 PolarHBondContact ND1-N 3.01Å; H1346-S1348 PolarHBondContact O-N 3.15Å; H1346-A1349 HydrophobicContact CB-CB 4.42Å; H1346-A1349 WeakPolarHBondContact O-CB 3.2Å; H1346-A1349 PolarHBondContact O-N 3.34Å; H1346-G1368 PolarHBondContact N-O 3.2Å; H1346-Q1369 WeakPolarHBondContact CB-O 3.24Å; H1346-Q1369 PolarHBondContact N-O 2.94Å; H1346-T1370 PolarHBondContact CD2-O 2.9Å; H1346-T1370 VanDerWaalsContact CD2-O 3.3Å; H1346-C1372 PolarHBondContact ND1-N 2.87Å | ||
| 1347 | S | 84.3 | Confident | 83.7 | Confident | 115 Ų | 115 | 72.2 Ų | 72.2 | 80% | 0.804 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -14.8 | -171.3 | 61.5 | 0 | 0 | 0 | 0 | 115.4 | ||
| 1348 | S | 82.2 | Confident | 84 | Confident | 55 Ų | 55 | 72.6 Ų | 72.6 | 39% | 0.385 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | 1.9 | 176.1 | -50.9 | 0 | 0 | 0 | 0 | 114 | H1346 P1361 | H1346-S1348 PolarHBondContact ND1-N 3.01Å; H1346-S1348 PolarHBondContact O-N 3.15Å; S1348-P1361 WeakPolarHBondContact O-CD 2.99Å; S1348-P1361 WeakPolarHBondContact O-CG 3.28Å |
| 1349 | A | 87.1 | Confident | 83.9 | Confident | 19 Ų | 19 | 74.9 Ų | 74.9 | 16% | 0.157 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -93.5 | 152.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | C1345 H1346 C1358 I1359 G1368 | C1345-A1349 HydrophobicContact CB-CB 4.34Å; H1346-A1349 HydrophobicContact CB-CB 4.42Å; H1346-A1349 WeakPolarHBondContact O-CB 3.2Å; H1346-A1349 PolarHBondContact O-N 3.34Å; A1349-C1358 HydrophobicContact CB-CB 4.4Å; A1349-I1359 WeakPolarHBondContact CA-O 3.17Å; A1349-G1368 WeakPolarHBondContact CB-O 3.27Å |
| 1350 | I | 84.7 | Confident | 84 | Confident | 103 Ų | 103 | 69.7 Ų | 69.7 | 53% | 0.528 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 122.5 | 172.1 | -58.2 | 175.2 | 0 | 0 | 0 | 107.7 | D1352 I1359 P1361 | I1350-D1352 PolarHBondContact O-N 3.04Å; I1350-I1359 PolarHBondContact N-O 2.98Å; I1350-I1359 PolarHBondContact O-N 2.93Å; I1350-P1361 HydrophobicContact CD1-CB 4.16Å |
| 1351 | C | 85.7 | Confident | 83.7 | Confident | 39 Ų | 39 | 70.1 Ų | 70.1 | 26% | 0.264 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 114.8 | 174.4 | -175.4 | 0 | 0 | 0 | 0 | 110.4 | C1342 | C1342-C1351 WeakPolarHBondContact CA-SG 3.42Å; C1342-C1351 HydrophobicContact CB-CB 3.62Å; C1342-C1351 WeakPolarHBondContact CB-SG 3.35Å; C1342-C1351 WeakPolarHBondContact SG-CB 3.27Å; C1342-C1351 CovalentContact SG-SG 2.04Å; C1342-C1351 PolarHBondContact SG-SG 2.92Å |
| 1352 | D | 83 | Confident | 83.1 | Confident | 27 Ų | 27 | 75 Ų | 75 | 14% | 0.144 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 97.3 | 173.4 | 178.8 | -12.5 | 0 | 0 | 0 | 108.2 | I1350 E1354 N1355 E1356 R1357 I1359 | I1350-D1352 PolarHBondContact O-N 3.04Å; D1352-E1354 PolarHBondContact OD1-N 2.83Å; D1352-N1355 VanDerWaalsContact CG-ND2 3.32Å; D1352-N1355 PolarHBondContact OD1-N 3.49Å; D1352-N1355 PolarHBondContact OD1-ND2 3.46Å; D1352-N1355 WeakPolarHBondContact OD2-CB 3.33Å; D1352-N1355 PolarHBondContact OD2-ND2 2.74Å; D1352-E1356 PolarHBondContact O-N 3.04Å; D1352-E1356 VanDerWaalsContact O-N 3.09Å; D1352-R1357 HydrophobicContact CB-CG 3.74Å; D1352-R1357 PolarHBondContact N-O 3.3Å; D1352-R1357 PolarHBondContact O-N 3Å; D1352-R1357 IonicContact OD2-CZ 3.74Å; D1352-R1357 VanDerWaalsContact OD2-CZ 3.31Å; D1352-R1357 IonicContact OD2-NE 3.26Å; D1352-R1357 PolarHBondContact OD2-NE 2.61Å; D1352-R1357 IonicContact OD2-NH2 3.72Å; D1352-R1357 PolarHBondContact OD2-NH2 3.48Å; D1352-I1359 HydrophobicContact CB-CD1 3.85Å; D1352-I1359 HydrophobicContact CB-CG1 4.3Å |
| 1353 | R | 79.8 | Confident | 82.4 | Confident | 140 Ų | 140 | 75.1 Ų | 75.1 | 53% | 0.528 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -24.2 | -176.4 | -84.8 | -171.4 | 158.1 | -163.6 | -7.6 | 114.2 | C1342 | C1342-R1353 VanDerWaalsContact SG-CG 3.58Å; C1342-R1353 PolarHBondContact SG-NE 3.3Å; C1342-R1353 VanDerWaalsContact SG-NE 3.43Å |
| 1354 | E | 74.7 | Confident | 82.3 | Confident | 174 Ų | 174 | 71.1 Ų | 71.1 | 81% | 0.813 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -39.4 | -179.9 | -68.6 | -174 | 149.6 | 0 | 0 | 110.8 | D1352 | D1352-E1354 PolarHBondContact OD1-N 2.83Š|
| 1355 | N | 81 | Confident | 81.8 | Confident | 101 Ų | 101 | 73.5 Ų | 73.5 | 54% | 0.54 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99 | 12.8 | 179 | -54.5 | -80.2 | 0 | 0 | 0 | 113.6 | D1352 R1357 | D1352-N1355 VanDerWaalsContact CG-ND2 3.32Å; D1352-N1355 PolarHBondContact OD1-N 3.49Å; D1352-N1355 PolarHBondContact OD1-ND2 3.46Å; D1352-N1355 WeakPolarHBondContact OD2-CB 3.33Å; D1352-N1355 PolarHBondContact OD2-ND2 2.74Å; N1355-R1357 VanDerWaalsContact C-N 3.26Å; N1355-R1357 HydrophobicContact CB-CG 4.1Å; N1355-R1357 PolarHBondContact O-N 2.67Å; N1355-R1357 VanDerWaalsContact O-N 3.14Å |
| 1356 | E | 83.8 | Confident | 81.5 | Confident | 55 Ų | 55 | 74.4 Ų | 74.4 | 26% | 0.257 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | 39.1 | 175.5 | -56.6 | -178 | 160 | 0 | 0 | 114.2 | R1313 N1314 Y1330 W1340 D1352 | R1313-E1356 IonicContact CZ-OE1 2.82Å; R1313-E1356 IonicContact NE-OE1 3.62Å; R1313-E1356 VanDerWaalsContact NH2-CD 3.25Å; R1313-E1356 IonicContact NH2-OE1 2.73Å; R1313-E1356 PolarHBondContact NH2-OE1 2.77Å; R1313-E1356 IonicContact NH2-OE2 3.91Å; N1314-E1356 PolarHBondContact ND2-OE1 2.89Å; Y1330-E1356 WeakPolarHBondContact CE1-OE1 3.24Å; Y1330-E1356 PolarHBondContact OH-OE2 3.11Å; Y1330-E1356 VanDerWaalsContact OH-OE2 3.05Å; W1340-E1356 HydrophobicContact CB-CB 4.29Å; W1340-E1356 HydrophobicContact CB-CG 4.2Å; W1340-E1356 HydrophobicContact CD2-CB 4.4Å; W1340-E1356 HydrophobicContact CE3-CB 4.43Å; W1340-E1356 HydrophobicContact CG-CB 4.33Å; D1352-E1356 PolarHBondContact O-N 3.04Å; D1352-E1356 VanDerWaalsContact O-N 3.09Å |
| 1357 | R | 82.7 | Confident | 80.9 | Confident | 127 Ų | 127 | 75.2 Ų | 75.2 | 48% | 0.479 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 162.1 | -172.6 | 68.5 | -178.6 | 177.8 | 159.4 | 0.9 | 113.7 | D1352 N1355 I1359 | D1352-R1357 HydrophobicContact CB-CG 3.74Å; D1352-R1357 PolarHBondContact N-O 3.3Å; D1352-R1357 PolarHBondContact O-N 3Å; D1352-R1357 IonicContact OD2-CZ 3.74Å; D1352-R1357 VanDerWaalsContact OD2-CZ 3.31Å; D1352-R1357 IonicContact OD2-NE 3.26Å; D1352-R1357 PolarHBondContact OD2-NE 2.61Å; D1352-R1357 IonicContact OD2-NH2 3.72Å; D1352-R1357 PolarHBondContact OD2-NH2 3.48Å; N1355-R1357 VanDerWaalsContact C-N 3.26Å; N1355-R1357 HydrophobicContact CB-CG 4.1Å; N1355-R1357 PolarHBondContact O-N 2.67Å; N1355-R1357 VanDerWaalsContact O-N 3.14Å; R1357-I1359 HydrophobicContact CG-CD1 4.4Å; R1357-I1359 HydrophobicContact CG-CG1 4.09Å |
| 1358 | C | 88.5 | Confident | 80.9 | Confident | 15 Ų | 15 | 69.7 Ų | 69.7 | 10% | 0.101 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 131.9 | 173.2 | -52.6 | 0 | 0 | 0 | 0 | 109.3 | C1345 A1349 G1368 Q1369 | C1345-C1358 WeakPolarHBondContact CA-SG 3.08Å; C1345-C1358 HydrophobicContact CB-CB 3.72Å; C1345-C1358 WeakPolarHBondContact CB-SG 3.26Å; C1345-C1358 WeakPolarHBondContact SG-CB 3.49Å; C1345-C1358 CovalentContact SG-SG 2.04Å; C1345-C1358 PolarHBondContact SG-SG 3.14Å; A1349-C1358 HydrophobicContact CB-CB 4.4Å; C1358-G1368 VanDerWaalsContact CB-C 3.47Å; C1358-G1368 WeakPolarHBondContact CB-O 3.41Å; C1358-Q1369 HydrophobicContact CB-CG 4.01Å; C1358-Q1369 VanDerWaalsContact SG-CG 3.58Å |
| 1359 | I | 83.5 | Confident | 80.6 | Confident | 59 Ų | 59 | 71.4 Ų | 71.4 | 30% | 0.303 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 126.7 | -171.9 | -46.6 | 174.4 | 0 | 0 | 0 | 109.6 | A1349 I1350 D1352 R1357 | A1349-I1359 WeakPolarHBondContact CA-O 3.17Å; I1350-I1359 PolarHBondContact N-O 2.98Å; I1350-I1359 PolarHBondContact O-N 2.93Å; D1352-I1359 HydrophobicContact CB-CD1 3.85Å; D1352-I1359 HydrophobicContact CB-CG1 4.3Å; R1357-I1359 HydrophobicContact CG-CD1 4.4Å; R1357-I1359 HydrophobicContact CG-CG1 4.09Å |
| 1360 | C | 87 | Confident | 80.2 | Confident | 25 Ų | 25 | 75.4 Ų | 75.4 | 17% | 0.169 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -70.9 | 134.6 | 170.6 | -65.7 | 0 | 0 | 0 | 0 | 111.1 | G1366 C1372 | C1360-G1366 VanDerWaalsContact SG-C 3.58Å; C1360-C1372 WeakPolarHBondContact CA-SG 3.4Å; C1360-C1372 HydrophobicContact CB-CB 3.9Å; C1360-C1372 WeakPolarHBondContact CB-SG 3.33Å; C1360-C1372 VanDerWaalsContact SG-CA 3.54Å; C1360-C1372 WeakPolarHBondContact SG-CB 3.45Å; C1360-C1372 CovalentContact SG-SG 2.04Å; C1360-C1372 PolarHBondContact SG-SG 3.18Å |
| 1361 | P | 79.3 | Confident | 79.8 | Confident | 38 Ų | 38 | 73.9 Ų | 73.9 | 25% | 0.247 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -68 | 158.1 | 178.7 | 27.6 | -34.5 | 0 | 0 | 0 | 112.3 | S1348 I1350 G1363 Y1364 | S1348-P1361 WeakPolarHBondContact O-CD 2.99Å; S1348-P1361 WeakPolarHBondContact O-CG 3.28Å; I1350-P1361 HydrophobicContact CD1-CB 4.16Å; P1361-G1363 PolarHBondContact O-N 2.68Å; P1361-Y1364 HydrophobicContact CG-CD2 3.9Å; P1361-Y1364 HydrophobicContact CG-CE2 4.44Å; P1361-Y1364 HydrophobicContact CG-CG 4.34Å; P1361-Y1364 WeakPolarHBondContact O-CB 3.34Å; P1361-Y1364 PolarHBondContact O-N 3.24Å |
| 1362 | S | 72.7 | Confident | 79.5 | Confident | 128 Ų | 128 | 72.5 Ų | 72.5 | 90% | 0.895 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.7 | 127.4 | -179.9 | -45.5 | 0 | 0 | 0 | 0 | 112.7 | ||
| 1363 | G | 67.5 | Low | 78.9 | Confident | 43 Ų | 43 | 76 Ų | 76 | 44% | 0.443 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.1 | 0.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | P1361 I1375 | P1361-G1363 PolarHBondContact O-N 2.68Å; G1363-I1375 PolarHBondContact O-N 2.7Å |
| 1364 | Y | 83.9 | Confident | 78 | Confident | 80 Ų | 80 | 77.8 Ų | 77.8 | 31% | 0.314 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 147.6 | 170.4 | -65.2 | -107.3 | 0 | 0 | 0 | 110.7 | P1361 C1372 E1373 R1374 | P1361-Y1364 HydrophobicContact CG-CD2 3.9Å; P1361-Y1364 HydrophobicContact CG-CE2 4.44Å; P1361-Y1364 HydrophobicContact CG-CG 4.34Å; P1361-Y1364 WeakPolarHBondContact O-CB 3.34Å; P1361-Y1364 PolarHBondContact O-N 3.24Å; Y1364-C1372 HydrophobicContact CD1-CB 4.42Å; Y1364-E1373 CarbonylContact C-O 3.22Å; Y1364-E1373 WeakPolarHBondContact CA-O 3.15Å; Y1364-R1374 HydrophobicContact CD1-CB 4.12Å; Y1364-R1374 HydrophobicContact CE1-CB 3.89Å; Y1364-R1374 HydrophobicContact CE1-CG 4.16Å; Y1364-R1374 HydrophobicContact CE2-CG 4.37Å |
| 1365 | R | 70.8 | Confident | 76.8 | Confident | 130 Ų | 130 | 74 Ų | 74 | 49% | 0.491 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 146.6 | 169.3 | 88.3 | -176.7 | -154.6 | -56.2 | -6.5 | 109.8 | E1373 I1375 | R1365-E1373 IonicContact CZ-OE2 3.82Å; R1365-E1373 PolarHBondContact N-O 2.91Å; R1365-E1373 IonicContact NH1-OE2 3.7Å; R1365-E1373 PolarHBondContact NH1-OE2 2.82Å; R1365-E1373 IonicContact NH2-OE2 3.29Å; R1365-E1373 PolarHBondContact O-N 2.9Å; R1365-I1375 HydrophobicContact CB-CD1 4.44Å; R1365-I1375 HydrophobicContact CB-CG1 4.14Å |
| 1366 | G | 82 | Confident | 74.9 | Confident | 35 Ų | 35 | 74.3 Ų | 74.3 | 36% | 0.361 | 39% | 0.39 | S | S | . | . | S | Bend | trans | 157.2 | 176.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | C1360 G1368 F1371 | C1360-G1366 VanDerWaalsContact SG-C 3.58Å; G1366-G1368 VanDerWaalsContact C-N 3.29Å; G1366-F1371 WeakPolarHBondContact CA-O 3.36Å |
| 1367 | D | 75.1 | Confident | 72.4 | Confident | 71 Ų | 71 | 78.2 Ų | 78.2 | 38% | 0.38 | 42% | 0.417 | S | S | . | . | trans | -80.2 | -11.6 | 177.7 | 68.2 | -13.1 | 0 | 0 | 0 | 113 | Q1369 T1370 F1371 | D1367-Q1369 PolarHBondContact O-N 3.2Å; D1367-Q1369 PolarHBondContact OD1-N 3.03Å; D1367-T1370 VanDerWaalsContact CG-N 3.3Å; D1367-T1370 PolarHBondContact OD1-N 3.36Å; D1367-T1370 PolarHBondContact OD1-OG1 2.88Å; D1367-T1370 WeakPolarHBondContact OD2-CB 3.17Å; D1367-T1370 WeakPolarHBondContact OD2-CG2 3.35Å; D1367-T1370 PolarHBondContact OD2-N 2.85Å; D1367-T1370 PolarHBondContact OD2-OG1 2.04Å; D1367-F1371 PolarHBondContact N-O 2.88Å; D1367-F1371 PolarHBondContact OD1-N 3.23Å | ||
| 1368 | G | 83 | Confident | 70.2 | Confident | 0 Ų | 0 | 82.8 Ų | 82.8 | 0% | 0 | 44% | 0.435 | C | S | . | . | S | Bend | trans | 74.2 | -7.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | C1345 H1346 A1349 C1358 G1366 F1371 | C1345-G1368 CarbonylContact C-O 3.59Å; C1345-G1368 WeakPolarHBondContact CA-O 3.49Å; H1346-G1368 PolarHBondContact N-O 3.2Å; A1349-G1368 WeakPolarHBondContact CB-O 3.27Å; C1358-G1368 VanDerWaalsContact CB-C 3.47Å; C1358-G1368 WeakPolarHBondContact CB-O 3.41Å; G1366-G1368 VanDerWaalsContact C-N 3.29Å; G1368-F1371 PolarHBondContact N-O 3.49Å |
| 1369 | Q | 76.2 | Confident | 67.6 | Low | 91 Ų | 91 | 91.3 Ų | 91.3 | 43% | 0.425 | 47% | 0.473 | S | S | . | . | S | Bend | trans | -107.2 | -52.9 | 179.4 | -73.6 | -174.6 | 5.9 | 0 | 0 | 111.6 | H1346 C1358 D1367 | H1346-Q1369 WeakPolarHBondContact CB-O 3.24Å; H1346-Q1369 PolarHBondContact N-O 2.94Å; C1358-Q1369 HydrophobicContact CB-CG 4.01Å; C1358-Q1369 VanDerWaalsContact SG-CG 3.58Å; D1367-Q1369 PolarHBondContact O-N 3.2Å; D1367-Q1369 PolarHBondContact OD1-N 3.03Å |
| 1370 | T | 79.2 | Confident | 65.8 | Low | 102 Ų | 102 | 93.7 Ų | 93.7 | 63% | 0.626 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -91.2 | -35.1 | 177 | 64.3 | 0 | 0 | 0 | 0 | 112.5 | H1346 D1367 | H1346-T1370 PolarHBondContact CD2-O 2.9Å; H1346-T1370 VanDerWaalsContact CD2-O 3.3Å; D1367-T1370 VanDerWaalsContact CG-N 3.3Å; D1367-T1370 PolarHBondContact OD1-N 3.36Å; D1367-T1370 PolarHBondContact OD1-OG1 2.88Å; D1367-T1370 WeakPolarHBondContact OD2-CB 3.17Å; D1367-T1370 WeakPolarHBondContact OD2-CG2 3.35Å; D1367-T1370 PolarHBondContact OD2-N 2.85Å; D1367-T1370 PolarHBondContact OD2-OG1 2.04Å |
| 1371 | F | 77 | Confident | 64.4 | Low | 72 Ų | 72 | 96.8 Ų | 96.8 | 32% | 0.316 | 51% | 0.508 | S | S | . | . | trans | -154.6 | 158.7 | 176.6 | 74 | -79.7 | 0 | 0 | 0 | 115.3 | G1366 D1367 G1368 E1373 | G1366-F1371 WeakPolarHBondContact CA-O 3.36Å; D1367-F1371 PolarHBondContact N-O 2.88Å; D1367-F1371 PolarHBondContact OD1-N 3.23Å; G1368-F1371 PolarHBondContact N-O 3.49Å; F1371-E1373 HydrophobicContact CD2-CB 4.23Å; F1371-E1373 HydrophobicContact CD2-CG 3.87Å; F1371-E1373 HydrophobicContact CE2-CG 4.43Å | ||
| 1372 | C | 78.7 | Confident | 63.9 | Low | 10 Ų | 10 | 96.4 Ų | 96.4 | 7% | 0.068 | 50% | 0.504 | C | S | . | . | trans | -138.7 | 110.9 | 157.8 | -69.6 | 0 | 0 | 0 | 0 | 109 | H1346 C1360 Y1364 | H1346-C1372 PolarHBondContact ND1-N 2.87Å; C1360-C1372 WeakPolarHBondContact CA-SG 3.4Å; C1360-C1372 HydrophobicContact CB-CB 3.9Å; C1360-C1372 WeakPolarHBondContact CB-SG 3.33Å; C1360-C1372 VanDerWaalsContact SG-CA 3.54Å; C1360-C1372 WeakPolarHBondContact SG-CB 3.45Å; C1360-C1372 CovalentContact SG-SG 2.04Å; C1360-C1372 PolarHBondContact SG-SG 3.18Å; Y1364-C1372 HydrophobicContact CD1-CB 4.42Å | ||
| 1373 | E | 69.9 | Low | 64 | Low | 99 Ų | 99 | 96.8 Ų | 96.8 | 46% | 0.463 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 140.4 | -178.9 | -80.4 | 179.2 | 165.5 | 0 | 0 | 111.8 | Y1364 R1365 F1371 I1375 | Y1364-E1373 CarbonylContact C-O 3.22Å; Y1364-E1373 WeakPolarHBondContact CA-O 3.15Å; R1365-E1373 IonicContact CZ-OE2 3.82Å; R1365-E1373 PolarHBondContact N-O 2.91Å; R1365-E1373 IonicContact NH1-OE2 3.7Å; R1365-E1373 PolarHBondContact NH1-OE2 2.82Å; R1365-E1373 IonicContact NH2-OE2 3.29Å; R1365-E1373 PolarHBondContact O-N 2.9Å; F1371-E1373 HydrophobicContact CD2-CB 4.23Å; F1371-E1373 HydrophobicContact CD2-CG 3.87Å; F1371-E1373 HydrophobicContact CE2-CG 4.43Å; E1373-I1375 PolarHBondContact O-N 2.86Å |
| 1374 | R | 61.1 | Low | 64.9 | Low | 178 Ų | 178 | 95.4 Ų | 95.4 | 67% | 0.672 | 47% | 0.473 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68 | 131.8 | 178.8 | -152.2 | -169.3 | -48.8 | -138.2 | 2.3 | 110.3 | Y1364 P1376 | Y1364-R1374 HydrophobicContact CD1-CB 4.12Å; Y1364-R1374 HydrophobicContact CE1-CB 3.89Å; Y1364-R1374 HydrophobicContact CE1-CG 4.16Å; Y1364-R1374 HydrophobicContact CE2-CG 4.37Å; R1374-P1376 WeakPolarHBondContact O-CD 3.32Å |
| 1375 | I | 49.5 | Very low | 64.9 | Low | 94 Ų | 94 | 100.1 Ų | 100.1 | 48% | 0.482 | 49% | 0.49 | S | S | . | . | trans | -69.3 | 115.3 | 179.8 | -58.6 | 172.9 | 0 | 0 | 0 | 109.1 | G1363 R1365 E1373 V1377 | G1363-I1375 PolarHBondContact O-N 2.7Å; R1365-I1375 HydrophobicContact CB-CD1 4.44Å; R1365-I1375 HydrophobicContact CB-CG1 4.14Å; E1373-I1375 PolarHBondContact O-N 2.86Å; I1375-V1377 PolarHBondContact O-N 3.38Å | ||
| 1376 | P | 42.1 | Very low | 65.7 | Low | 109 Ų | 109 | 94 Ų | 94 | 71% | 0.708 | 47% | 0.467 | S | S | * | . | trans | -81.6 | 121.1 | -176 | -10.5 | 28.5 | 0 | 0 | 0 | 111.4 | R1374 R1378 | R1374-P1376 WeakPolarHBondContact O-CD 3.32Å; P1376-R1378 PolarHBondContact O-N 2.92Å | ||
| 1377 | V | 31.4 | Very low | 65.3 | Low | 136 Ų | 136 | 97.9 Ų | 97.9 | 82% | 0.824 | 48% | 0.477 | S | S | * | . | trans | -88.3 | 95 | 170.5 | -175.5 | 0 | 0 | 0 | 0 | 109 | I1375 | I1375-V1377 PolarHBondContact O-N 3.38Š| ||
| 1378 | R | 36.8 | Very low | 65.1 | Low | 223 Ų | 223 | 95.5 Ų | 95.5 | 84% | 0.842 | 47% | 0.469 | S | S | * | . | trans | -140.5 | 121 | 164.7 | -73 | -164.3 | 174.2 | -170.5 | -2.2 | 111.1 | P1376 D1380 | P1376-R1378 PolarHBondContact O-N 2.92Å; R1378-D1380 PolarHBondContact O-N 3.2Å | ||
| 1379 | Q | 33.1 | Very low | 64.8 | Low | 194 Ų | 194 | 99.7 Ų | 99.7 | 91% | 0.907 | 49% | 0.489 | S | S | * | . | trans | -84.2 | 89.5 | 171.2 | -69 | 168.7 | -70.3 | 0 | 0 | 109.2 | ||||
| 1380 | D | 44.9 | Very low | 64.2 | Low | 109 Ų | 109 | 98.1 Ų | 98.1 | 58% | 0.583 | 50% | 0.497 | S | S | * | . | trans | -131.7 | 108.5 | 160.8 | -83.7 | -61.8 | 0 | 0 | 0 | 106.7 | R1378 I1382 | R1378-D1380 PolarHBondContact O-N 3.2Å; D1380-I1382 PolarHBondContact O-N 2.72Å; D1380-I1382 VanDerWaalsContact O-N 3.07Å | ||
| 1381 | S | 58.2 | Low | 64 | Low | 90 Ų | 90 | 99.6 Ų | 99.6 | 63% | 0.629 | 50% | 0.497 | S | S | * | . | trans | -78.7 | 97.8 | -164.3 | 63.5 | 0 | 0 | 0 | 0 | 112.1 | K1383 | S1381-K1383 PolarHBondContact O-N 3.08Š| ||
| 1382 | I | 69.1 | Low | 63.8 | Low | 31 Ų | 31 | 99.9 Ų | 99.9 | 16% | 0.159 | 50% | 0.504 | C | S | . | . | trans | -58.5 | 132.6 | 157.6 | -57 | 159.7 | 0 | 0 | 0 | 107.3 | D1380 V1408 Y1415 A1460 | D1380-I1382 PolarHBondContact O-N 2.72Å; D1380-I1382 VanDerWaalsContact O-N 3.07Å; I1382-V1408 HydrophobicContact CG2-CG1 4.12Å; I1382-Y1415 HydrophobicContact CD1-CD1 3.59Å; I1382-Y1415 HydrophobicContact CD1-CD2 3.5Å; I1382-Y1415 VanDerWaalsContact CD1-CD2 3.5Å; I1382-Y1415 HydrophobicContact CD1-CE1 3.86Å; I1382-Y1415 HydrophobicContact CD1-CE2 3.77Å; I1382-Y1415 HydrophobicContact CD1-CG 3.4Å; I1382-Y1415 HydrophobicContact CG1-CD2 4.08Å; I1382-Y1415 HydrophobicContact CG1-CG 4.19Å; I1382-A1460 HydrophobicContact CG2-CB 4.21Å | ||
| 1383 | K | 75.4 | Confident | 63.5 | Low | 135 Ų | 135 | 102.4 Ų | 102.4 | 59% | 0.587 | 52% | 0.516 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 126.6 | 169.7 | -66.5 | -172.7 | 179.5 | -175.4 | 0 | 109.3 | S1381 T1409 | S1381-K1383 PolarHBondContact O-N 3.08Å; K1383-T1409 PolarHBondContact N-O 2.84Å; K1383-T1409 PolarHBondContact O-N 2.84Å; K1383-T1409 PolarHBondContact O-OG1 2.04Å |
| 1384 | V | 86.2 | Confident | 63.6 | Low | 15 Ų | 15 | 102.7 Ų | 102.7 | 9% | 0.091 | 52% | 0.517 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 139.7 | 169.8 | -173.7 | 0 | 0 | 0 | 0 | 107.2 | C1406 F1407 V1408 C1458 A1460 V1463 A1465 | V1384-C1406 VanDerWaalsContact CG1-SG 3.56Å; V1384-F1407 CarbonylContact C-O 3.52Å; V1384-F1407 WeakPolarHBondContact CA-O 3.05Å; V1384-V1408 HydrophobicContact CG1-CG2 4.45Å; V1384-V1408 HydrophobicContact CG2-CG2 4.38Å; V1384-C1458 HydrophobicContact CG1-CB 4.25Å; V1384-A1460 HydrophobicContact CG2-CB 3.66Å; V1384-V1463 HydrophobicContact CB-CG1 4.17Å; V1384-V1463 HydrophobicContact CG2-CB 4.06Å; V1384-V1463 HydrophobicContact CG2-CG1 3.92Å; V1384-A1465 HydrophobicContact CB-CB 4.45Å; V1384-A1465 HydrophobicContact CG1-CB 3.91Å |
| 1385 | R | 82.8 | Confident | 64.1 | Low | 178 Ų | 178 | 95.1 Ų | 95.1 | 67% | 0.672 | 49% | 0.49 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 138.1 | 173 | -175.4 | 179.3 | -179.7 | -174.4 | 1.4 | 110.5 | E1389 F1407 | R1385-E1389 VanDerWaalsContact CA-OE2 3.27Å; R1385-E1389 WeakPolarHBondContact CA-OE2 2.93Å; R1385-F1407 PolarHBondContact N-O 2.66Å; R1385-F1407 PolarHBondContact O-N 3Å |
| 1386 | I | 88 | Confident | 64.6 | Low | 2 Ų | 2 | 94.6 Ų | 94.6 | 1% | 0.01 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 149.4 | 170.7 | -66.5 | 166.4 | 0 | 0 | 0 | 109.8 | G1388 E1389 C1406 W1419 C1458 A1465 I1467 | I1386-G1388 PolarHBondContact O-N 3.15Å; I1386-E1389 HydrophobicContact CB-CB 4.06Å; I1386-E1389 PolarHBondContact N-OE2 3.5Å; I1386-E1389 WeakPolarHBondContact O-CB 3.38Å; I1386-E1389 PolarHBondContact O-N 3Å; I1386-C1406 HydrophobicContact CG1-CB 4.18Å; I1386-W1419 HydrophobicContact CD1-CH2 3.62Å; I1386-W1419 HydrophobicContact CD1-CZ3 3.71Å; I1386-W1419 HydrophobicContact CG1-CH2 3.84Å; I1386-W1419 HydrophobicContact CG1-CZ3 4.41Å; I1386-W1419 HydrophobicContact CG2-CH2 4.1Å; I1386-C1458 HydrophobicContact CD1-CB 3.81Å; I1386-C1458 HydrophobicContact CG1-CB 4.04Å; I1386-A1465 HydrophobicContact CB-CB 4.45Å; I1386-A1465 VanDerWaalsContact CD1-C 3.45Å; I1386-A1465 HydrophobicContact CD1-CB 3.68Å; I1386-A1465 WeakPolarHBondContact CD1-O 3.02Å; I1386-A1465 HydrophobicContact CG1-CB 3.82Å; I1386-I1467 HydrophobicContact CD1-CG2 4.45Å; I1386-I1467 HydrophobicContact CG2-CB 4.04Å; I1386-I1467 HydrophobicContact CG2-CD1 4.23Å; I1386-I1467 HydrophobicContact CG2-CG2 4.04Å |
| 1387 | M | 74.9 | Confident | 65.8 | Low | 116 Ų | 116 | 92.3 Ų | 92.3 | 57% | 0.571 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | 118.3 | 165.9 | -70.5 | -178.1 | 64.4 | 0 | 0 | 109.2 | R1405 F1407 I1467 | M1387-R1405 PolarHBondContact N-O 3.45Å; M1387-R1405 HydrophobicContact SD-CB 4.27Å; M1387-F1407 HydrophobicContact CG-CE2 3.9Å; M1387-F1407 HydrophobicContact SD-CE2 3.95Å; M1387-F1407 HydrophobicContact SD-CZ 4.47Å; M1387-I1467 WeakPolarHBondContact O-CD1 3.22Å |
| 1388 | G | 70.5 | Confident | 67.4 | Low | 21 Ų | 21 | 88.8 Ų | 88.8 | 22% | 0.216 | 45% | 0.448 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | 25 | -169 | 0 | 0 | 0 | 0 | 0 | 113.7 | I1386 G1390 E1391 I1467 | I1386-G1388 PolarHBondContact O-N 3.15Å; G1388-G1390 PolarHBondContact O-N 2.83Å; G1388-E1391 WeakPolarHBondContact CA-OE2 3.49Å; G1388-E1391 WeakPolarHBondContact O-CB 3.24Å; G1388-E1391 PolarHBondContact O-N 2.69Å; G1388-I1467 WeakPolarHBondContact O-CD1 3.45Å; G1388-I1467 WeakPolarHBondContact O-CG1 3.37Å |
| 1389 | E | 75.4 | Confident | 68.8 | Low | 89 Ų | 89 | 82.4 Ų | 82.4 | 42% | 0.416 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | 123.1 | 176.2 | -174.9 | 172.5 | 168.9 | 0 | 0 | 111.9 | R1385 I1386 E1391 A1465 | R1385-E1389 VanDerWaalsContact CA-OE2 3.27Å; R1385-E1389 WeakPolarHBondContact CA-OE2 2.93Å; I1386-E1389 HydrophobicContact CB-CB 4.06Å; I1386-E1389 PolarHBondContact N-OE2 3.5Å; I1386-E1389 WeakPolarHBondContact O-CB 3.38Å; I1386-E1389 PolarHBondContact O-N 3Å; E1389-E1391 VanDerWaalsContact C-N 3.27Å; E1389-E1391 PolarHBondContact O-N 2.97Å; E1389-A1465 VanDerWaalsContact CD-CB 3.45Å; E1389-A1465 HydrophobicContact CG-CB 4.1Å; E1389-A1465 WeakPolarHBondContact OE1-CB 3.36Å |
| 1390 | G | 64.9 | Low | 70.7 | Confident | 58 Ų | 58 | 78.9 Ų | 78.9 | 60% | 0.598 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.4 | -4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | G1388 F1466 | G1388-G1390 PolarHBondContact O-N 2.83Å; G1390-F1466 PolarHBondContact N-O 2.89Å |
| 1391 | E | 74.3 | Confident | 72.4 | Confident | 132 Ų | 132 | 76.7 Ų | 76.7 | 62% | 0.617 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -90.4 | 159.8 | 171.8 | -59.9 | 178.7 | 163.3 | 0 | 0 | 110.9 | G1388 E1389 | G1388-E1391 WeakPolarHBondContact CA-OE2 3.49Å; G1388-E1391 WeakPolarHBondContact O-CB 3.24Å; G1388-E1391 PolarHBondContact O-N 2.69Å; E1389-E1391 VanDerWaalsContact C-N 3.27Å; E1389-E1391 PolarHBondContact O-N 2.97Å |
| 1392 | V | 71.8 | Confident | 73.7 | Confident | 79 Ų | 79 | 72.6 Ų | 72.6 | 48% | 0.479 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 117.1 | 171.3 | -176.4 | 0 | 0 | 0 | 0 | 108.5 | H1394 D1468 N1470 | V1392-H1394 PolarHBondContact O-CD2 3.29Å; V1392-H1394 PolarHBondContact O-N 3.46Å; V1392-D1468 CarbonylContact C-O 3.51Å; V1392-D1468 WeakPolarHBondContact CA-O 3.26Å; V1392-D1468 HydrophobicContact CG2-CB 4.39Å; V1392-N1470 HydrophobicContact CG1-CB 4.36Å |
| 1393 | M | 73.2 | Confident | 74.6 | Confident | 62 Ų | 62 | 75.2 Ų | 75.2 | 31% | 0.305 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 105.9 | 179.5 | -176 | 179 | -72.8 | 0 | 0 | 110.3 | L1402 L1404 I1467 D1468 V1469 N1470 | M1393-L1402 HydrophobicContact SD-CD1 3.93Å; M1393-L1404 HydrophobicContact CE-CD2 3.82Å; M1393-L1404 HydrophobicContact SD-CD2 3.67Å; M1393-I1467 HydrophobicContact CB-CD1 4.21Å; M1393-I1467 HydrophobicContact CE-CD1 3.87Å; M1393-D1468 PolarHBondContact N-O 2.92Å; M1393-V1469 HydrophobicContact CB-CG2 4.47Å; M1393-N1470 PolarHBondContact O-N 2.9Å |
| 1394 | H | 71.2 | Confident | 75.4 | Confident | 106 Ų | 106 | 68.9 Ų | 68.9 | 49% | 0.491 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 123 | 174.9 | -67.7 | -106.8 | 0 | 0 | 0 | 110.9 | V1392 N1470 E1472 | V1392-H1394 PolarHBondContact O-CD2 3.29Å; V1392-H1394 PolarHBondContact O-N 3.46Å; H1394-N1470 WeakPolarHBondContact CA-O 3.4Å; H1394-N1470 PolarHBondContact ND1-ND2 3.11Å; H1394-E1472 IonicContact CE1-OE1 2.82Å; H1394-E1472 IonicContact CG-OE1 2.77Å; H1394-E1472 IonicContact ND1-OE1 3.91Å; H1394-E1472 PolarHBondContact ND1-OE1 2.92Å |
| 1395 | I | 71.8 | Confident | 75.5 | Confident | 19 Ų | 19 | 72.6 Ų | 72.6 | 10% | 0.097 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 99.7 | 174.3 | -59.5 | 148.4 | 0 | 0 | 0 | 106.9 | L1402 P1448 V1469 N1470 V1471 E1472 | I1395-L1402 HydrophobicContact CD1-CB 3.97Å; I1395-L1402 HydrophobicContact CD1-CD1 3.75Å; I1395-L1402 HydrophobicContact CD1-CD2 3.89Å; I1395-L1402 HydrophobicContact CD1-CG 4.06Å; I1395-P1448 HydrophobicContact CG2-CG 4.05Å; I1395-V1469 HydrophobicContact CD1-CG1 3.43Å; I1395-V1469 VanDerWaalsContact CD1-CG1 3.43Å; I1395-N1470 PolarHBondContact N-O 3.27Å; I1395-V1471 HydrophobicContact CB-CG2 4.48Å; I1395-V1471 HydrophobicContact CD1-CG2 3.74Å; I1395-E1472 PolarHBondContact O-N 3.14Å |
| 1396 | T | 61.6 | Low | 75.9 | Confident | 82 Ų | 82 | 64.1 Ų | 64.1 | 50% | 0.503 | 35% | 0.349 | S | S | . | . | trans | -94.9 | -12.2 | -177.1 | 52.2 | 0 | 0 | 0 | 0 | 113.9 | E1472 S1474 | T1396-E1472 HydrophobicContact CG2-CB 4.47Å; T1396-S1474 PolarHBondContact O-OG 3.23Å | ||
| 1397 | D | 66.7 | Low | 75.9 | Confident | 61 Ų | 61 | 67.1 Ų | 67.1 | 33% | 0.326 | 36% | 0.362 | S | S | . | . | trans | -125.1 | 98.1 | 178.1 | 177.7 | 4.9 | 0 | 0 | 0 | 109.7 | S1399 H1400 | D1397-S1399 PolarHBondContact O-N 3.12Å; D1397-S1399 VanDerWaalsContact O-N 3.09Å; D1397-S1399 VanDerWaalsContact OD1-CB 3.22Å; D1397-S1399 WeakPolarHBondContact OD1-CB 3.44Å; D1397-S1399 PolarHBondContact OD1-N 3.24Å; D1397-S1399 PolarHBondContact OD1-OG 3.02Å; D1397-S1399 PolarHBondContact OD2-OG 3.03Å; D1397-S1399 VanDerWaalsContact OD2-OG 3.1Å; D1397-H1400 PolarHBondContact O-N 3.36Å; D1397-H1400 IonicContact OD2-CE1 2.72Å; D1397-H1400 PolarHBondContact OD2-CE1 3.29Å; D1397-H1400 VanDerWaalsContact OD2-CE1 3.26Å; D1397-H1400 IonicContact OD2-ND1 3.74Å; D1397-H1400 PolarHBondContact OD2-ND1 3.27Å | ||
| 1398 | I | 65.1 | Low | 76.5 | Confident | 62 Ų | 62 | 61.8 Ų | 61.8 | 32% | 0.318 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -5.5 | 178.9 | 58.6 | 164.2 | 0 | 0 | 0 | 114.3 | H1400 P1448 V1471 E1473 | I1398-H1400 VanDerWaalsContact C-N 3.32Å; I1398-P1448 WeakPolarHBondContact CG2-O 3.47Å; I1398-V1471 HydrophobicContact CG2-CG1 3.94Å; I1398-E1473 HydrophobicContact CD1-CG 4.47Å; I1398-E1473 HydrophobicContact CG2-CG 4.48Å |
| 1399 | S | 66.7 | Low | 77 | Confident | 89 Ų | 89 | 63.7 Ų | 63.7 | 62% | 0.622 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -19.4 | 170.5 | 78.2 | 0 | 0 | 0 | 0 | 112.9 | D1397 | D1397-S1399 PolarHBondContact O-N 3.12Å; D1397-S1399 VanDerWaalsContact O-N 3.09Å; D1397-S1399 VanDerWaalsContact OD1-CB 3.22Å; D1397-S1399 WeakPolarHBondContact OD1-CB 3.44Å; D1397-S1399 PolarHBondContact OD1-N 3.24Å; D1397-S1399 PolarHBondContact OD1-OG 3.02Å; D1397-S1399 PolarHBondContact OD2-OG 3.03Å; D1397-S1399 VanDerWaalsContact OD2-OG 3.1Å |
| 1400 | H | 72.2 | Confident | 76.8 | Confident | 121 Ų | 121 | 60.8 Ų | 60.8 | 56% | 0.56 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -87.7 | 133.9 | 171.4 | -74.1 | 84.5 | 0 | 0 | 0 | 110.4 | D1397 I1398 P1448 | D1397-H1400 PolarHBondContact O-N 3.36Å; D1397-H1400 IonicContact OD2-CE1 2.72Å; D1397-H1400 PolarHBondContact OD2-CE1 3.29Å; D1397-H1400 VanDerWaalsContact OD2-CE1 3.26Å; D1397-H1400 IonicContact OD2-ND1 3.74Å; D1397-H1400 PolarHBondContact OD2-ND1 3.27Å; I1398-H1400 VanDerWaalsContact C-N 3.32Å; H1400-P1448 WeakPolarHBondContact O-CD 3.02Å; H1400-P1448 WeakPolarHBondContact O-CG 3.33Å |
| 1401 | P | 81.1 | Confident | 76.8 | Confident | 63 Ų | 63 | 62.4 Ų | 62.4 | 41% | 0.409 | 34% | 0.339 | S | S | . | . | trans | -73.1 | 142.8 | 178.8 | 32.8 | -36.7 | 0 | 0 | 0 | 110.8 | E1403 L1444 I1445 | P1401-E1403 PolarHBondContact O-N 3.42Å; P1401-L1444 HydrophobicContact CB-CD1 3.83Å; P1401-L1444 HydrophobicContact CG-CD1 4.22Å; P1401-I1445 CarbonylContact C-O 3.54Å; P1401-I1445 VanDerWaalsContact CA-O 3.26Å; P1401-I1445 WeakPolarHBondContact CA-O 3.11Å; P1401-I1445 WeakPolarHBondContact CB-O 3.26Å | ||
| 1402 | L | 84.8 | Confident | 76.1 | Confident | 3 Ų | 3 | 59.8 Ų | 59.8 | 2% | 0.016 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 113.9 | 172.1 | 165.4 | 51.3 | 0 | 0 | 0 | 109.3 | M1393 I1395 L1404 L1444 I1445 P1448 V1469 | M1393-L1402 HydrophobicContact SD-CD1 3.93Å; I1395-L1402 HydrophobicContact CD1-CB 3.97Å; I1395-L1402 HydrophobicContact CD1-CD1 3.75Å; I1395-L1402 HydrophobicContact CD1-CD2 3.89Å; I1395-L1402 HydrophobicContact CD1-CG 4.06Å; L1402-L1404 HydrophobicContact CD1-CD2 3.71Å; L1402-L1404 HydrophobicContact CD1-CG 3.77Å; L1402-L1404 HydrophobicContact CG-CG 4.44Å; L1402-L1444 CarbonylContact O-C 3.54Å; L1402-L1444 VanDerWaalsContact O-CA 3.27Å; L1402-L1444 WeakPolarHBondContact O-CA 3.4Å; L1402-I1445 HydrophobicContact CB-CB 4.29Å; L1402-I1445 HydrophobicContact CD2-CD1 4.35Å; L1402-I1445 PolarHBondContact N-O 2.79Å; L1402-I1445 PolarHBondContact O-N 2.86Å; L1402-P1448 HydrophobicContact CB-CB 4.19Å; L1402-P1448 HydrophobicContact CB-CG 4.46Å; L1402-V1469 HydrophobicContact CD1-CG1 4.39Å; L1402-V1469 HydrophobicContact CD2-CG1 3.87Å |
| 1403 | E | 88 | Confident | 75.4 | Confident | 87 Ų | 87 | 61 Ų | 61 | 41% | 0.407 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 112.7 | 175.1 | -166.3 | -171.6 | 152.7 | 0 | 0 | 111 | P1401 R1405 L1443 L1444 | P1401-E1403 PolarHBondContact O-N 3.42Å; E1403-R1405 IonicContact OE1-CZ 3.94Å; E1403-R1405 IonicContact OE1-NE 3.6Å; E1403-R1405 PolarHBondContact OE1-NE 3.32Å; E1403-R1405 IonicContact OE1-NH2 3.53Å; E1403-R1405 PolarHBondContact OE1-NH2 3.33Å; E1403-L1443 CarbonylContact C-O 3.6Å; E1403-L1443 WeakPolarHBondContact CA-O 3.36Å; E1403-L1444 HydrophobicContact CB-CD1 4.03Å; E1403-L1444 HydrophobicContact CG-CD1 4.24Å |
| 1404 | L | 91.3 | Very high | 75 | Confident | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.005 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 140.1 | 173.7 | -59.6 | 179.4 | 0 | 0 | 0 | 110.7 | M1393 L1402 W1419 S1442 L1443 Y1456 I1467 V1469 | M1393-L1404 HydrophobicContact CE-CD2 3.82Å; M1393-L1404 HydrophobicContact SD-CD2 3.67Å; L1402-L1404 HydrophobicContact CD1-CD2 3.71Å; L1402-L1404 HydrophobicContact CD1-CG 3.77Å; L1402-L1404 HydrophobicContact CG-CG 4.44Å; L1404-W1419 HydrophobicContact CB-CH2 3.81Å; L1404-W1419 HydrophobicContact CB-CZ2 3.64Å; L1404-W1419 HydrophobicContact CD1-CH2 4.11Å; L1404-W1419 HydrophobicContact CD1-CZ3 4.2Å; L1404-S1442 CarbonylContact O-C 3.57Å; L1404-S1442 VanDerWaalsContact O-CA 3.25Å; L1404-S1442 WeakPolarHBondContact O-CA 3.13Å; L1404-L1443 HydrophobicContact CB-CB 4.35Å; L1404-L1443 HydrophobicContact CD1-CD2 4.47Å; L1404-L1443 PolarHBondContact N-O 2.86Å; L1404-L1443 PolarHBondContact O-N 2.79Å; L1404-Y1456 HydrophobicContact CD1-CD1 3.81Å; L1404-Y1456 HydrophobicContact CD1-CD2 4.09Å; L1404-Y1456 HydrophobicContact CD1-CE1 4.47Å; L1404-Y1456 HydrophobicContact CD1-CG 3.59Å; L1404-I1467 HydrophobicContact CD1-CG2 4.01Å; L1404-I1467 HydrophobicContact CD2-CD1 4.29Å; L1404-I1467 HydrophobicContact CD2-CG2 4.12Å; L1404-V1469 HydrophobicContact CD1-CG2 4.08Å; L1404-V1469 HydrophobicContact CD2-CG2 4.14Å |
| 1405 | R | 90.1 | Very high | 74.7 | Confident | 94 Ų | 94 | 61.2 Ų | 61.2 | 36% | 0.355 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 125.8 | 179 | -62.4 | -169.3 | -178.4 | -162.1 | 11.6 | 112.6 | M1387 E1403 F1407 E1440 | M1387-R1405 PolarHBondContact N-O 3.45Å; M1387-R1405 HydrophobicContact SD-CB 4.27Å; E1403-R1405 IonicContact OE1-CZ 3.94Å; E1403-R1405 IonicContact OE1-NE 3.6Å; E1403-R1405 PolarHBondContact OE1-NE 3.32Å; E1403-R1405 IonicContact OE1-NH2 3.53Å; E1403-R1405 PolarHBondContact OE1-NH2 3.33Å; R1405-F1407 HydrophobicContact CB-CE2 4.26Å; R1405-E1440 IonicContact CZ-OE1 2.96Å; R1405-E1440 IonicContact NE-OE1 2.94Å; R1405-E1440 IonicContact NH1-OE1 3.75Å; R1405-E1440 PolarHBondContact NH1-OE1 3.41Å |
| 1406 | C | 90 | Very high | 74.6 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 132.8 | 175.4 | 174.2 | 0 | 0 | 0 | 0 | 110.8 | V1384 I1386 W1419 E1440 I1441 C1458 | V1384-C1406 VanDerWaalsContact CG1-SG 3.56Å; I1386-C1406 HydrophobicContact CG1-CB 4.18Å; C1406-W1419 HydrophobicContact CB-CH2 4.24Å; C1406-W1419 HydrophobicContact CB-CZ2 3.54Å; C1406-E1440 CarbonylContact O-C 3.53Å; C1406-E1440 WeakPolarHBondContact O-CA 3.37Å; C1406-I1441 HydrophobicContact CB-CB 4.41Å; C1406-I1441 PolarHBondContact N-O 2.84Å; C1406-I1441 PolarHBondContact O-N 3.29Å; C1406-C1458 HydrophobicContact CB-CB 3.56Å; C1406-C1458 WeakPolarHBondContact CB-SG 3.38Å; C1406-C1458 WeakPolarHBondContact SG-CB 3.47Å; C1406-C1458 CovalentContact SG-SG 2.02Å; C1406-C1458 PolarHBondContact SG-SG 2.8Å |
| 1407 | F | 88.6 | Confident | 75.5 | Confident | 65 Ų | 65 | 59 Ų | 59 | 29% | 0.285 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 120.1 | 175.9 | -62.9 | -83.6 | 0 | 0 | 0 | 109.8 | V1384 R1385 M1387 R1405 E1440 | V1384-F1407 CarbonylContact C-O 3.52Å; V1384-F1407 WeakPolarHBondContact CA-O 3.05Å; R1385-F1407 PolarHBondContact N-O 2.66Å; R1385-F1407 PolarHBondContact O-N 3Å; M1387-F1407 HydrophobicContact CG-CE2 3.9Å; M1387-F1407 HydrophobicContact SD-CE2 3.95Å; M1387-F1407 HydrophobicContact SD-CZ 4.47Å; R1405-F1407 HydrophobicContact CB-CE2 4.26Å; F1407-E1440 HydrophobicContact CD1-CB 3.94Å; F1407-E1440 HydrophobicContact CD1-CG 4.14Å; F1407-E1440 HydrophobicContact CE1-CB 3.81Å; F1407-E1440 HydrophobicContact CE1-CG 3.61Å; F1407-E1440 HydrophobicContact CZ-CG 4.08Å |
| 1408 | V | 87.3 | Confident | 76.4 | Confident | 3 Ų | 3 | 62.1 Ų | 62.1 | 2% | 0.018 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 111.4 | 174.9 | -178.3 | 0 | 0 | 0 | 0 | 107.8 | I1382 V1384 G1438 Y1439 I1441 A1460 | I1382-V1408 HydrophobicContact CG2-CG1 4.12Å; V1384-V1408 HydrophobicContact CG1-CG2 4.45Å; V1384-V1408 HydrophobicContact CG2-CG2 4.38Å; V1408-G1438 CarbonylContact O-C 3.55Å; V1408-G1438 VanDerWaalsContact O-CA 3.24Å; V1408-G1438 WeakPolarHBondContact O-CA 3.3Å; V1408-Y1439 PolarHBondContact N-O 2.9Å; V1408-Y1439 PolarHBondContact O-N 3.19Å; V1408-I1441 HydrophobicContact CG2-CD1 3.95Å; V1408-A1460 HydrophobicContact CB-CB 4.41Å; V1408-A1460 HydrophobicContact CG1-CB 3.51Å; V1408-A1460 HydrophobicContact CG2-CB 3.94Å |
| 1409 | T | 80.6 | Confident | 77.5 | Confident | 62 Ų | 62 | 60.7 Ų | 60.7 | 38% | 0.38 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 141.3 | -179.4 | 54.7 | 0 | 0 | 0 | 0 | 110.9 | K1383 D1437 | K1383-T1409 PolarHBondContact N-O 2.84Å; K1383-T1409 PolarHBondContact O-N 2.84Å; K1383-T1409 PolarHBondContact O-OG1 2.04Å; T1409-D1437 WeakPolarHBondContact CA-O 3.41Å |
| 1410 | G | 71.2 | Confident | 78.4 | Confident | 28 Ų | 28 | 60 Ų | 60 | 29% | 0.289 | 32% | 0.319 | S | S | . | . | trans | 172.3 | 157.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113 | D1412 D1437 | G1410-D1412 VanDerWaalsContact C-N 3.32Å; G1410-D1437 PolarHBondContact N-O 2.04Å | ||
| 1411 | S | 64.8 | Low | 78.6 | Confident | 91 Ų | 91 | 57 Ų | 57 | 64% | 0.636 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -67.5 | -31.5 | 177.2 | 47.3 | 0 | 0 | 0 | 0 | 112.9 | ||
| 1412 | D | 59.5 | Low | 78.2 | Confident | 78 Ų | 78 | 54.9 Ų | 54.9 | 42% | 0.417 | 29% | 0.291 | S | S | . | . | trans | -91.4 | 102.4 | 179.5 | -170.4 | -18.2 | 0 | 0 | 0 | 111.5 | G1410 S1414 Y1415 | G1410-D1412 VanDerWaalsContact C-N 3.32Å; D1412-S1414 PolarHBondContact O-N 3.06Å; D1412-S1414 VanDerWaalsContact OD1-CB 3.24Å; D1412-S1414 WeakPolarHBondContact OD1-CB 3.36Å; D1412-S1414 PolarHBondContact OD1-N 2.89Å; D1412-S1414 PolarHBondContact OD1-OG 2.82Å; D1412-S1414 PolarHBondContact OD2-OG 2.85Å; D1412-Y1415 HydrophobicContact CB-CD2 3.88Å; D1412-Y1415 HydrophobicContact CB-CE2 3.98Å; D1412-Y1415 PolarHBondContact O-N 3.38Å; D1412-Y1415 WeakPolarHBondContact OD2-CE2 3.2Å | ||
| 1413 | Q | 58.3 | Low | 77 | Confident | 103 Ų | 103 | 62.3 Ų | 62.3 | 48% | 0.481 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | 2.3 | -178.5 | -61.2 | -176.1 | 5.8 | 0 | 0 | 114.6 | Y1439 | Q1413-Y1439 WeakPolarHBondContact O-CE2 3.44Å; Q1413-Y1439 PolarHBondContact O-OH 2.97Å; Q1413-Y1439 VanDerWaalsContact O-OH 3.07Å |
| 1414 | S | 64.2 | Low | 75.2 | Confident | 77 Ų | 77 | 60.9 Ų | 60.9 | 54% | 0.538 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -29.4 | 171.2 | 66.8 | 0 | 0 | 0 | 0 | 112.9 | D1412 S1416 | D1412-S1414 PolarHBondContact O-N 3.06Å; D1412-S1414 VanDerWaalsContact OD1-CB 3.24Å; D1412-S1414 WeakPolarHBondContact OD1-CB 3.36Å; D1412-S1414 PolarHBondContact OD1-N 2.89Å; D1412-S1414 PolarHBondContact OD1-OG 2.82Å; D1412-S1414 PolarHBondContact OD2-OG 2.85Å; S1414-S1416 PolarHBondContact O-N 3.46Å |
| 1415 | Y | 64.5 | Low | 74.1 | Confident | 96 Ų | 96 | 61.2 Ų | 61.2 | 38% | 0.376 | 33% | 0.327 | S | S | . | . | trans | -78.9 | 96.9 | 179.6 | -63.6 | -82.6 | 0 | 0 | 0 | 110.5 | I1382 D1412 | I1382-Y1415 HydrophobicContact CD1-CD1 3.59Å; I1382-Y1415 HydrophobicContact CD1-CD2 3.5Å; I1382-Y1415 VanDerWaalsContact CD1-CD2 3.5Å; I1382-Y1415 HydrophobicContact CD1-CE1 3.86Å; I1382-Y1415 HydrophobicContact CD1-CE2 3.77Å; I1382-Y1415 HydrophobicContact CD1-CG 3.4Å; I1382-Y1415 HydrophobicContact CG1-CD2 4.08Å; I1382-Y1415 HydrophobicContact CG1-CG 4.19Å; D1412-Y1415 HydrophobicContact CB-CD2 3.88Å; D1412-Y1415 HydrophobicContact CB-CE2 3.98Å; D1412-Y1415 PolarHBondContact O-N 3.38Å; D1412-Y1415 WeakPolarHBondContact OD2-CE2 3.2Å | ||
| 1416 | S | 70.4 | Confident | 73.3 | Confident | 42 Ų | 42 | 60.7 Ų | 60.7 | 29% | 0.294 | 33% | 0.329 | S | S | . | . | trans | -104.1 | -6.2 | -170 | 72.7 | 0 | 0 | 0 | 0 | 113.6 | S1414 K1432 I1441 | S1414-S1416 PolarHBondContact O-N 3.46Å; S1416-K1432 VanDerWaalsContact C-NZ 3.3Å; S1416-K1432 VanDerWaalsContact CB-CE 3.42Å; S1416-K1432 WeakPolarHBondContact O-CE 3.11Å; S1416-K1432 PolarHBondContact O-NZ 2.74Å; S1416-K1432 PolarHBondContact OG-NZ 2.75Å; S1416-I1441 VanDerWaalsContact O-CD1 3.26Å; S1416-I1441 WeakPolarHBondContact O-CD1 3.29Å | ||
| 1417 | G | 80.3 | Confident | 72.8 | Confident | 14 Ų | 14 | 68.5 Ų | 68.5 | 14% | 0.144 | 37% | 0.366 | C | S | . | . | trans | 65.2 | 163.5 | 176 | 0 | 0 | 0 | 0 | 0 | 116.4 | K1432 I1441 R1459 | G1417-K1432 PolarHBondContact O-NZ 3.38Å; G1417-I1441 VanDerWaalsContact C-CD1 3.42Å; G1417-R1459 WeakPolarHBondContact CA-O 3.44Å | ||
| 1418 | Q | 86.2 | Confident | 72.7 | Confident | 126 Ų | 126 | 66.6 Ų | 66.6 | 59% | 0.589 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 153.9 | 174.5 | 66.5 | -172.5 | 8.5 | 0 | 0 | 111.4 | C1458 R1459 | Q1418-C1458 WeakPolarHBondContact O-CA 3.44Å; Q1418-R1459 PolarHBondContact N-O 3.05Å; Q1418-R1459 PolarHBondContact O-N 2.66Å |
| 1419 | W | 88.3 | Confident | 72.6 | Confident | 31 Ų | 31 | 70.6 Ų | 70.6 | 12% | 0.117 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 140.5 | 169.6 | -77.8 | 105.6 | 0 | 0 | 0 | 111 | I1386 L1404 C1406 I1441 L1443 E1457 C1458 I1467 | I1386-W1419 HydrophobicContact CD1-CH2 3.62Å; I1386-W1419 HydrophobicContact CD1-CZ3 3.71Å; I1386-W1419 HydrophobicContact CG1-CH2 3.84Å; I1386-W1419 HydrophobicContact CG1-CZ3 4.41Å; I1386-W1419 HydrophobicContact CG2-CH2 4.1Å; L1404-W1419 HydrophobicContact CB-CH2 3.81Å; L1404-W1419 HydrophobicContact CB-CZ2 3.64Å; L1404-W1419 HydrophobicContact CD1-CH2 4.11Å; L1404-W1419 HydrophobicContact CD1-CZ3 4.2Å; C1406-W1419 HydrophobicContact CB-CH2 4.24Å; C1406-W1419 HydrophobicContact CB-CZ2 3.54Å; W1419-I1441 PolarHBondContact NE1-O 3.19Å; W1419-L1443 HydrophobicContact CB-CD1 3.72Å; W1419-L1443 HydrophobicContact CD2-CB 4.44Å; W1419-L1443 HydrophobicContact CD2-CD1 4.04Å; W1419-L1443 HydrophobicContact CG-CB 4.18Å; W1419-L1443 HydrophobicContact CG-CD1 3.68Å; W1419-E1457 CarbonylContact C-O 3.13Å; W1419-C1458 HydrophobicContact CD2-CB 4.1Å; W1419-C1458 HydrophobicContact CE3-CB 3.88Å; W1419-C1458 HydrophobicContact CH2-CB 4.2Å; W1419-C1458 HydrophobicContact CZ2-CB 4.39Å; W1419-C1458 HydrophobicContact CZ3-CB 3.93Å; W1419-I1467 HydrophobicContact CH2-CG2 4.23Å; W1419-I1467 HydrophobicContact CZ3-CG2 4.24Å |
| 1420 | I | 84.3 | Confident | 73 | Confident | 74 Ų | 74 | 71.3 Ų | 71.3 | 38% | 0.379 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 125.7 | 167.6 | -55.4 | 170.6 | 0 | 0 | 0 | 105.8 | Y1456 E1457 R1459 | I1420-Y1456 WeakPolarHBondContact O-CA 3.48Å; I1420-E1457 HydrophobicContact CB-CB 4.26Å; I1420-E1457 PolarHBondContact N-O 3.1Å; I1420-E1457 PolarHBondContact O-N 3.24Å; I1420-R1459 HydrophobicContact CD1-CB 4.38Å |
| 1421 | K | 77.6 | Confident | 73.7 | Confident | 59 Ų | 59 | 73.6 Ų | 73.6 | 26% | 0.257 | 39% | 0.393 | S | S | . | . | trans | -111.3 | 161.4 | -175.7 | 62.7 | 171.1 | 178.8 | 145.8 | 0 | 111.6 | A1425 Q1426 E1427 P1428 Y1456 | K1421-A1425 HydrophobicContact CD-CB 4.24Å; K1421-A1425 PolarHBondContact NZ-O 3.4Å; K1421-Q1426 VanDerWaalsContact NZ-C 3.26Å; K1421-Q1426 PolarHBondContact NZ-O 3.45Å; K1421-E1427 WeakPolarHBondContact CE-OE2 3.42Å; K1421-E1427 IonicContact NZ-OE2 2.7Å; K1421-E1427 PolarHBondContact NZ-OE2 2.8Å; K1421-P1428 HydrophobicContact CD-CG 4.23Å; K1421-Y1456 HydrophobicContact CB-CD1 3.88Å; K1421-Y1456 HydrophobicContact CB-CE1 3.61Å | ||
| 1422 | P | 72.3 | Confident | 74.8 | Confident | 18 Ų | 18 | 73.9 Ų | 73.9 | 12% | 0.117 | 38% | 0.382 | C | S | . | . | trans | -55.9 | 144.7 | 168.9 | -24 | 34.8 | 0 | 0 | 0 | 112.2 | S1424 A1425 R1455 Y1456 | P1422-S1424 PolarHBondContact O-N 2.05Å; P1422-A1425 HydrophobicContact CB-CB 4.23Å; P1422-A1425 HydrophobicContact CG-CB 4.5Å; P1422-A1425 WeakPolarHBondContact O-CB 3.45Å; P1422-A1425 PolarHBondContact O-N 3.48Å; P1422-R1455 WeakPolarHBondContact CD-O 3.43Å; P1422-Y1456 HydrophobicContact CG-CD2 4.22Å; P1422-Y1456 HydrophobicContact CG-CE2 3.83Å | ||
| 1423 | H | 58.6 | Low | 76 | Confident | 159 Ų | 159 | 73.3 Ų | 73.3 | 74% | 0.736 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -15.8 | -179.6 | -72.2 | 94 | 0 | 0 | 0 | 114 | R1698 | H1423-R1698 PolarHBondContact O-NH1 3.32Š|
| 1424 | S | 50.6 | Low | 77.1 | Confident | 57 Ų | 57 | 75.9 Ų | 75.9 | 40% | 0.399 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -22.7 | 172 | 50.4 | 0 | 0 | 0 | 0 | 113 | P1422 T1451 | P1422-S1424 PolarHBondContact O-N 2.05Å; S1424-T1451 CarbonylContact C-O 3.52Å; S1424-T1451 WeakPolarHBondContact CB-O 3.31Å; S1424-T1451 PolarHBondContact OG-O 2.74Å |
| 1425 | A | 68.6 | Low | 77.9 | Confident | 8 Ų | 8 | 76.4 Ų | 76.4 | 7% | 0.066 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -73.3 | 142.5 | -171.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | K1421 P1422 T1451 D1452 Y1456 | K1421-A1425 HydrophobicContact CD-CB 4.24Å; K1421-A1425 PolarHBondContact NZ-O 3.4Å; P1422-A1425 HydrophobicContact CB-CB 4.23Å; P1422-A1425 HydrophobicContact CG-CB 4.5Å; P1422-A1425 WeakPolarHBondContact O-CB 3.45Å; P1422-A1425 PolarHBondContact O-N 3.48Å; A1425-T1451 WeakPolarHBondContact CA-O 3.34Å; A1425-T1451 PolarHBondContact N-O 3.12Å; A1425-D1452 VanDerWaalsContact CA-OD1 3.32Å; A1425-D1452 WeakPolarHBondContact CA-OD1 3.24Å; A1425-D1452 HydrophobicContact CB-CB 4.4Å; A1425-Y1456 WeakPolarHBondContact CB-OH 3.04Å |
| 1426 | Q | 74 | Confident | 78.3 | Confident | 83 Ų | 83 | 80.4 Ų | 80.4 | 39% | 0.388 | 40% | 0.403 | S | S | . | . | trans | -56.7 | 162.6 | 173.6 | -63.4 | -178.6 | 82.6 | 0 | 0 | 111.6 | K1421 P1428 Q1447 T1449 D1452 | K1421-Q1426 VanDerWaalsContact NZ-C 3.26Å; K1421-Q1426 PolarHBondContact NZ-O 3.45Å; Q1426-P1428 WeakPolarHBondContact O-CD 3.06Å; Q1426-Q1447 PolarHBondContact NE2-O 3.23Å; Q1426-T1449 PolarHBondContact NE2-OG1 2.84Å; Q1426-D1452 WeakPolarHBondContact CB-OD1 3.08Å; Q1426-D1452 WeakPolarHBondContact CG-OD1 3.49Å; Q1426-D1452 PolarHBondContact N-OD1 3.4Å; Q1426-D1452 PolarHBondContact NE2-OD2 3.3Å | ||
| 1427 | E | 79.4 | Confident | 78.4 | Confident | 165 Ų | 165 | 84.4 Ų | 84.4 | 77% | 0.771 | 42% | 0.421 | S | S | * | . | trans | -72.9 | 112.4 | 177.4 | -152.8 | 76.9 | 162 | 0 | 0 | 110.3 | K1421 | K1421-E1427 WeakPolarHBondContact CE-OE2 3.42Å; K1421-E1427 IonicContact NZ-OE2 2.7Å; K1421-E1427 PolarHBondContact NZ-OE2 2.8Å | ||
| 1428 | P | 85.3 | Confident | 78.5 | Confident | 24 Ų | 24 | 84.2 Ų | 84.2 | 16% | 0.156 | 42% | 0.419 | C | S | . | . | trans | -85.1 | 154.5 | -174.7 | 35.2 | -34.4 | 0 | 0 | 0 | 111.5 | K1421 Q1426 V1430 L1443 I1445 | K1421-P1428 HydrophobicContact CD-CG 4.23Å; Q1426-P1428 WeakPolarHBondContact O-CD 3.06Å; P1428-V1430 HydrophobicContact CG-CG2 4.02Å; P1428-V1430 PolarHBondContact O-N 3.24Å; P1428-L1443 HydrophobicContact CB-CD1 4.29Å; P1428-L1443 HydrophobicContact CB-CD2 3.7Å; P1428-L1443 HydrophobicContact CB-CG 3.66Å; P1428-L1443 HydrophobicContact CG-CD1 4Å; P1428-L1443 HydrophobicContact CG-CD2 4.31Å; P1428-L1443 HydrophobicContact CG-CG 3.88Å; P1428-I1445 HydrophobicContact CB-CD1 4.3Å; P1428-I1445 HydrophobicContact CB-CG1 3.73Å | ||
| 1429 | I | 86.4 | Confident | 78.4 | Confident | 88 Ų | 88 | 80.5 Ų | 80.5 | 45% | 0.451 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 106.8 | 168.8 | -58.5 | 171.5 | 0 | 0 | 0 | 107.4 | T1431 L1444 | I1429-T1431 HydrophobicContact CG2-CG2 4.36Å; I1429-L1444 HydrophobicContact CB-CB 4.32Å; I1429-L1444 PolarHBondContact N-O 2.68Å; I1429-L1444 PolarHBondContact O-N 2.81Å |
| 1430 | V | 87.6 | Confident | 78.4 | Confident | 77 Ų | 77 | 79.9 Ų | 79.9 | 47% | 0.467 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 116.2 | 177.4 | -175.1 | 0 | 0 | 0 | 0 | 110.2 | P1428 I1441 S1442 L1443 | P1428-V1430 HydrophobicContact CG-CG2 4.02Å; P1428-V1430 PolarHBondContact O-N 3.24Å; V1430-I1441 HydrophobicContact CG1-CG2 3.78Å; V1430-S1442 CarbonylContact C-O 3.57Å; V1430-S1442 WeakPolarHBondContact CA-O 3.31Å; V1430-L1443 HydrophobicContact CG2-CG 4.46Å |
| 1431 | T | 87.4 | Confident | 78.7 | Confident | 76 Ų | 76 | 76.5 Ų | 76.5 | 47% | 0.466 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 143.4 | 175.2 | 53.6 | 0 | 0 | 0 | 0 | 111.1 | I1429 S1442 | I1429-T1431 HydrophobicContact CG2-CG2 4.36Å; T1431-S1442 PolarHBondContact N-O 2.86Å; T1431-S1442 PolarHBondContact O-N 3.17Å |
| 1432 | K | 86.2 | Confident | 79.2 | Confident | 97 Ų | 97 | 74.2 Ų | 74.2 | 42% | 0.422 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 112.9 | -170 | -172.4 | 168.1 | -178.7 | 155.4 | 0 | 111 | S1416 G1417 Y1439 E1440 I1441 | S1416-K1432 VanDerWaalsContact C-NZ 3.3Å; S1416-K1432 VanDerWaalsContact CB-CE 3.42Å; S1416-K1432 WeakPolarHBondContact O-CE 3.11Å; S1416-K1432 PolarHBondContact O-NZ 2.74Å; S1416-K1432 PolarHBondContact OG-NZ 2.75Å; G1417-K1432 PolarHBondContact O-NZ 3.38Å; K1432-Y1439 HydrophobicContact CG-CD1 4.35Å; K1432-E1440 WeakPolarHBondContact CA-O 3.34Å; K1432-I1441 HydrophobicContact CG-CG1 4.47Å |
| 1433 | T | 84.6 | Confident | 80.2 | Confident | 66 Ų | 66 | 73.3 Ų | 73.3 | 41% | 0.405 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 132.4 | -176.9 | 33.5 | 0 | 0 | 0 | 0 | 110 | Y1439 E1440 | T1433-Y1439 WeakPolarHBondContact O-CA 3.42Å; T1433-E1440 PolarHBondContact N-O 3.03Å; T1433-E1440 PolarHBondContact O-N 2.91Å; T1433-E1440 WeakPolarHBondContact OG1-CB 3.29Å; T1433-E1440 PolarHBondContact OG1-O 2.93Å; T1433-E1440 PolarHBondContact OG1-OE2 2.85Å |
| 1434 | R | 83.2 | Confident | 81.7 | Confident | 157 Ų | 157 | 68 Ų | 68 | 59% | 0.592 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 115.2 | 176 | -174.6 | 171.5 | 175.8 | -87.2 | 5.9 | 109 | Y1439 | R1434-Y1439 HydrophobicContact CB-CD1 4.19Å; R1434-Y1439 HydrophobicContact CB-CE1 4.1Å; R1434-Y1439 HydrophobicContact CG-CD1 4.39Å; R1434-Y1439 HydrophobicContact CG-CE1 4.06Å |
| 1435 | Q | 79.9 | Confident | 83.4 | Confident | 88 Ų | 88 | 65.6 Ų | 65.6 | 41% | 0.411 | 33% | 0.326 | S | S | . | . | trans | -90.3 | 177.3 | 176 | -66.6 | -67.2 | -3.5 | 0 | 0 | 110.1 | G1438 E1440 | Q1435-G1438 PolarHBondContact N-O 3.21Å; Q1435-E1440 HydrophobicContact CG-CB 3.97Å; Q1435-E1440 PolarHBondContact NE2-OE2 2.82Å | ||
| 1436 | Q | 74 | Confident | 83.9 | Confident | 179 Ų | 179 | 69.7 Ų | 69.7 | 84% | 0.836 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -63.9 | -42.2 | 179.2 | -73.5 | -174.9 | -18.2 | 0 | 0 | 112.3 | ||
| 1437 | D | 72.3 | Confident | 83.9 | Confident | 127 Ų | 127 | 73 Ų | 73 | 68% | 0.679 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -107.7 | 14.6 | -172.6 | -56.7 | -35.2 | 0 | 0 | 0 | 113.8 | T1409 G1410 | T1409-D1437 WeakPolarHBondContact CA-O 3.41Å; G1410-D1437 PolarHBondContact N-O 2.04Å |
| 1438 | G | 80.7 | Confident | 83.7 | Confident | 10 Ų | 10 | 65.2 Ų | 65.2 | 10% | 0.103 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 158.9 | -146.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | V1408 Q1435 | V1408-G1438 CarbonylContact O-C 3.55Å; V1408-G1438 VanDerWaalsContact O-CA 3.24Å; V1408-G1438 WeakPolarHBondContact O-CA 3.3Å; Q1435-G1438 PolarHBondContact N-O 3.21Å |
| 1439 | Y | 85.6 | Confident | 83 | Confident | 48 Ų | 48 | 66.1 Ų | 66.1 | 19% | 0.188 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 142.3 | 177.8 | -63.7 | -89.1 | 0 | 0 | 0 | 111.6 | V1408 Q1413 K1432 T1433 R1434 | V1408-Y1439 PolarHBondContact N-O 2.9Å; V1408-Y1439 PolarHBondContact O-N 3.19Å; Q1413-Y1439 WeakPolarHBondContact O-CE2 3.44Å; Q1413-Y1439 PolarHBondContact O-OH 2.97Å; Q1413-Y1439 VanDerWaalsContact O-OH 3.07Å; K1432-Y1439 HydrophobicContact CG-CD1 4.35Å; T1433-Y1439 WeakPolarHBondContact O-CA 3.42Å; R1434-Y1439 HydrophobicContact CB-CD1 4.19Å; R1434-Y1439 HydrophobicContact CB-CE1 4.1Å; R1434-Y1439 HydrophobicContact CG-CD1 4.39Å; R1434-Y1439 HydrophobicContact CG-CE1 4.06Å |
| 1440 | E | 87.3 | Confident | 81.7 | Confident | 18 Ų | 18 | 62.9 Ų | 62.9 | 8% | 0.084 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 132.9 | 163.7 | 172.8 | -176.3 | -158 | 0 | 0 | 107.8 | R1405 C1406 F1407 K1432 T1433 Q1435 | R1405-E1440 IonicContact CZ-OE1 2.96Å; R1405-E1440 IonicContact NE-OE1 2.94Å; R1405-E1440 IonicContact NH1-OE1 3.75Å; R1405-E1440 PolarHBondContact NH1-OE1 3.41Å; C1406-E1440 CarbonylContact O-C 3.53Å; C1406-E1440 WeakPolarHBondContact O-CA 3.37Å; F1407-E1440 HydrophobicContact CD1-CB 3.94Å; F1407-E1440 HydrophobicContact CD1-CG 4.14Å; F1407-E1440 HydrophobicContact CE1-CB 3.81Å; F1407-E1440 HydrophobicContact CE1-CG 3.61Å; F1407-E1440 HydrophobicContact CZ-CG 4.08Å; K1432-E1440 WeakPolarHBondContact CA-O 3.34Å; T1433-E1440 PolarHBondContact N-O 3.03Å; T1433-E1440 PolarHBondContact O-N 2.91Å; T1433-E1440 WeakPolarHBondContact OG1-CB 3.29Å; T1433-E1440 PolarHBondContact OG1-O 2.93Å; T1433-E1440 PolarHBondContact OG1-OE2 2.85Å; Q1435-E1440 HydrophobicContact CG-CB 3.97Å; Q1435-E1440 PolarHBondContact NE2-OE2 2.82Å |
| 1441 | I | 90.3 | Very high | 80.8 | Confident | 2 Ų | 2 | 62.9 Ų | 62.9 | 1% | 0.01 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 103.3 | -176.8 | -44.4 | 167.7 | 0 | 0 | 0 | 107.2 | C1406 V1408 S1416 G1417 W1419 V1430 K1432 | C1406-I1441 HydrophobicContact CB-CB 4.41Å; C1406-I1441 PolarHBondContact N-O 2.84Å; C1406-I1441 PolarHBondContact O-N 3.29Å; V1408-I1441 HydrophobicContact CG2-CD1 3.95Å; S1416-I1441 VanDerWaalsContact O-CD1 3.26Å; S1416-I1441 WeakPolarHBondContact O-CD1 3.29Å; G1417-I1441 VanDerWaalsContact C-CD1 3.42Å; W1419-I1441 PolarHBondContact NE1-O 3.19Å; V1430-I1441 HydrophobicContact CG1-CG2 3.78Å; K1432-I1441 HydrophobicContact CG-CG1 4.47Å |
| 1442 | S | 89.3 | Confident | 80.3 | Confident | 11 Ų | 11 | 59.2 Ų | 59.2 | 8% | 0.077 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 134.2 | 177.3 | -49.7 | 0 | 0 | 0 | 0 | 110.3 | L1404 V1430 T1431 | L1404-S1442 CarbonylContact O-C 3.57Å; L1404-S1442 VanDerWaalsContact O-CA 3.25Å; L1404-S1442 WeakPolarHBondContact O-CA 3.13Å; V1430-S1442 CarbonylContact C-O 3.57Å; V1430-S1442 WeakPolarHBondContact CA-O 3.31Å; T1431-S1442 PolarHBondContact N-O 2.86Å; T1431-S1442 PolarHBondContact O-N 3.17Å |
| 1443 | L | 91.9 | Very high | 79.5 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 126.9 | 175.4 | 177.4 | 161.6 | 0 | 0 | 0 | 107.7 | E1403 L1404 W1419 P1428 V1430 I1445 Y1456 | E1403-L1443 CarbonylContact C-O 3.6Å; E1403-L1443 WeakPolarHBondContact CA-O 3.36Å; L1404-L1443 HydrophobicContact CB-CB 4.35Å; L1404-L1443 HydrophobicContact CD1-CD2 4.47Å; L1404-L1443 PolarHBondContact N-O 2.86Å; L1404-L1443 PolarHBondContact O-N 2.79Å; W1419-L1443 HydrophobicContact CB-CD1 3.72Å; W1419-L1443 HydrophobicContact CD2-CB 4.44Å; W1419-L1443 HydrophobicContact CD2-CD1 4.04Å; W1419-L1443 HydrophobicContact CG-CB 4.18Å; W1419-L1443 HydrophobicContact CG-CD1 3.68Å; P1428-L1443 HydrophobicContact CB-CD1 4.29Å; P1428-L1443 HydrophobicContact CB-CD2 3.7Å; P1428-L1443 HydrophobicContact CB-CG 3.66Å; P1428-L1443 HydrophobicContact CG-CD1 4Å; P1428-L1443 HydrophobicContact CG-CD2 4.31Å; P1428-L1443 HydrophobicContact CG-CG 3.88Å; V1430-L1443 HydrophobicContact CG2-CG 4.46Å; L1443-I1445 HydrophobicContact CD2-CG1 4.22Å; L1443-Y1456 HydrophobicContact CD1-CD1 3.84Å; L1443-Y1456 HydrophobicContact CD1-CE1 4.04Å; L1443-Y1456 HydrophobicContact CD2-CE1 4.23Å |
| 1444 | L | 90.8 | Very high | 78.9 | Confident | 46 Ų | 46 | 53.7 Ų | 53.7 | 24% | 0.241 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 126.6 | -176.7 | -174.6 | 72.7 | 0 | 0 | 0 | 111.6 | P1401 L1402 E1403 I1429 N1446 | P1401-L1444 HydrophobicContact CB-CD1 3.83Å; P1401-L1444 HydrophobicContact CG-CD1 4.22Å; L1402-L1444 CarbonylContact O-C 3.54Å; L1402-L1444 VanDerWaalsContact O-CA 3.27Å; L1402-L1444 WeakPolarHBondContact O-CA 3.4Å; E1403-L1444 HydrophobicContact CB-CD1 4.03Å; E1403-L1444 HydrophobicContact CG-CD1 4.24Å; I1429-L1444 HydrophobicContact CB-CB 4.32Å; I1429-L1444 PolarHBondContact N-O 2.68Å; I1429-L1444 PolarHBondContact O-N 2.81Å; L1444-N1446 WeakPolarHBondContact CD2-OD1 3.36Å |
| 1445 | I | 86.3 | Confident | 78.8 | Confident | 7 Ų | 7 | 52.3 Ų | 52.3 | 4% | 0.036 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 113.4 | 166.3 | -58.6 | -178.6 | 0 | 0 | 0 | 108.1 | P1401 L1402 P1428 L1443 Q1447 D1452 | P1401-I1445 CarbonylContact C-O 3.54Å; P1401-I1445 VanDerWaalsContact CA-O 3.26Å; P1401-I1445 WeakPolarHBondContact CA-O 3.11Å; P1401-I1445 WeakPolarHBondContact CB-O 3.26Å; L1402-I1445 HydrophobicContact CB-CB 4.29Å; L1402-I1445 HydrophobicContact CD2-CD1 4.35Å; L1402-I1445 PolarHBondContact N-O 2.79Å; L1402-I1445 PolarHBondContact O-N 2.86Å; P1428-I1445 HydrophobicContact CB-CD1 4.3Å; P1428-I1445 HydrophobicContact CB-CG1 3.73Å; L1443-I1445 HydrophobicContact CD2-CG1 4.22Å; I1445-Q1447 VanDerWaalsContact C-N 3.32Å; I1445-Q1447 PolarHBondContact O-N 2.93Å; I1445-D1452 HydrophobicContact CD1-CB 4.15Å |
| 1446 | N | 79 | Confident | 79.1 | Confident | 95 Ų | 95 | 48.1 Ų | 48.1 | 51% | 0.508 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -67.9 | -28.4 | -171.5 | -73.6 | -19 | 0 | 0 | 0 | 114.4 | L1444 | L1444-N1446 WeakPolarHBondContact CD2-OD1 3.36Š|
| 1447 | Q | 74.3 | Confident | 79.8 | Confident | 151 Ų | 151 | 41.6 Ų | 41.6 | 71% | 0.706 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -138.1 | 86 | 177.8 | -71.5 | -172.4 | -34.9 | 0 | 0 | 107.4 | Q1426 I1445 | Q1426-Q1447 PolarHBondContact NE2-O 3.23Å; I1445-Q1447 VanDerWaalsContact C-N 3.32Å; I1445-Q1447 PolarHBondContact O-N 2.93Å |
| 1448 | P | 76 | Confident | 80.6 | Confident | 3 Ų | 3 | 35.6 Ų | 35.6 | 2% | 0.019 | 19% | 0.186 | C | C | . | . | trans | -66.4 | 142.5 | 178.1 | 27.8 | -33 | 0 | 0 | 0 | 110.5 | I1395 I1398 H1400 L1402 V1471 | I1395-P1448 HydrophobicContact CG2-CG 4.05Å; I1398-P1448 WeakPolarHBondContact CG2-O 3.47Å; H1400-P1448 WeakPolarHBondContact O-CD 3.02Å; H1400-P1448 WeakPolarHBondContact O-CG 3.33Å; L1402-P1448 HydrophobicContact CB-CB 4.19Å; L1402-P1448 HydrophobicContact CB-CG 4.46Å; P1448-V1471 HydrophobicContact CB-CG1 4.22Å; P1448-V1471 HydrophobicContact CB-CG2 4.02Å | ||
| 1449 | T | 69.2 | Low | 80.9 | Confident | 42 Ų | 42 | 40 Ų | 40 | 26% | 0.258 | 20% | 0.199 | S | C | . | . | trans | -126.3 | 163.8 | 179.6 | 61.2 | 0 | 0 | 0 | 0 | 109.5 | Q1426 T1451 D1452 V1471 | Q1426-T1449 PolarHBondContact NE2-OG1 2.84Å; T1449-T1451 PolarHBondContact O-N 2.86Å; T1449-T1451 PolarHBondContact OG1-OG1 3.47Å; T1449-D1452 PolarHBondContact N-OD2 3.05Å; T1449-D1452 WeakPolarHBondContact O-CB 3.44Å; T1449-D1452 PolarHBondContact O-N 3.19Å; T1449-D1452 PolarHBondContact OG1-OD2 3.4Å; T1449-V1471 WeakPolarHBondContact O-CB 3.24Å; T1449-V1471 WeakPolarHBondContact O-CG1 3.36Å; T1449-V1471 WeakPolarHBondContact O-CG2 3.04Å | ||
| 1450 | I | 60.6 | Low | 80.8 | Confident | 20 Ų | 20 | 37.8 Ų | 37.8 | 10% | 0.103 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -52.9 | -29.2 | 175.5 | -72.5 | 161.3 | 0 | 0 | 0 | 112.5 | D1452 S1453 E1473 N1746 | I1450-D1452 PolarHBondContact O-N 2.72Å; I1450-S1453 WeakPolarHBondContact O-CB 3.35Å; I1450-S1453 PolarHBondContact O-N 2.89Å; I1450-S1453 PolarHBondContact O-OG 2.91Å; I1450-E1473 HydrophobicContact CD1-CB 3.88Å; I1450-E1473 HydrophobicContact CD1-CG 3.76Å; I1450-E1473 HydrophobicContact CG1-CB 4.31Å; I1450-E1473 HydrophobicContact CG1-CG 3.99Å; I1450-N1746 HydrophobicContact CG2-CB 4.16Å; I1450-N1746 VanDerWaalsContact CG2-ND2 3.34Å; I1450-N1746 WeakPolarHBondContact CG2-ND2 3.38Å |
| 1451 | T | 67.2 | Low | 80.3 | Confident | 77 Ų | 77 | 38.8 Ų | 38.8 | 47% | 0.472 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | -70.8 | -14.7 | 176.7 | 41.4 | 0 | 0 | 0 | 0 | 114.4 | S1424 A1425 T1449 S1453 | S1424-T1451 CarbonylContact C-O 3.52Å; S1424-T1451 WeakPolarHBondContact CB-O 3.31Å; S1424-T1451 PolarHBondContact OG-O 2.74Å; A1425-T1451 WeakPolarHBondContact CA-O 3.34Å; A1425-T1451 PolarHBondContact N-O 3.12Å; T1449-T1451 PolarHBondContact O-N 2.86Å; T1449-T1451 PolarHBondContact OG1-OG1 3.47Å; T1451-S1453 VanDerWaalsContact C-N 3.34Å |
| 1452 | D | 77.2 | Confident | 79.5 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -84.6 | -4.8 | 176 | -57.6 | -60.1 | 0 | 0 | 0 | 113.6 | A1425 Q1426 I1445 T1449 I1450 Y1456 V1471 | A1425-D1452 VanDerWaalsContact CA-OD1 3.32Å; A1425-D1452 WeakPolarHBondContact CA-OD1 3.24Å; A1425-D1452 HydrophobicContact CB-CB 4.4Å; Q1426-D1452 WeakPolarHBondContact CB-OD1 3.08Å; Q1426-D1452 WeakPolarHBondContact CG-OD1 3.49Å; Q1426-D1452 PolarHBondContact N-OD1 3.4Å; Q1426-D1452 PolarHBondContact NE2-OD2 3.3Å; I1445-D1452 HydrophobicContact CD1-CB 4.15Å; T1449-D1452 PolarHBondContact N-OD2 3.05Å; T1449-D1452 WeakPolarHBondContact O-CB 3.44Å; T1449-D1452 PolarHBondContact O-N 3.19Å; T1449-D1452 PolarHBondContact OG1-OD2 3.4Å; I1450-D1452 PolarHBondContact O-N 2.72Å; D1452-Y1456 VanDerWaalsContact O-CE2 3.27Å; D1452-Y1456 WeakPolarHBondContact O-CE2 3.31Å; D1452-Y1456 PolarHBondContact O-OH 2.89Å; D1452-V1471 HydrophobicContact CB-CG2 4.18Å |
| 1453 | S | 69.9 | Low | 79 | Confident | 19 Ų | 19 | 48.6 Ų | 48.6 | 13% | 0.133 | 26% | 0.26 | C | S | . | . | trans | -64.8 | 147.7 | 171.6 | -61.5 | 0 | 0 | 0 | 0 | 112.6 | I1450 T1451 V1469 V1471 | I1450-S1453 WeakPolarHBondContact O-CB 3.35Å; I1450-S1453 PolarHBondContact O-N 2.89Å; I1450-S1453 PolarHBondContact O-OG 2.91Å; T1451-S1453 VanDerWaalsContact C-N 3.34Å; S1453-V1469 CarbonylContact C-O 3.57Å; S1453-V1469 WeakPolarHBondContact CA-O 3.42Å; S1453-V1471 PolarHBondContact OG-N 2.96Å | ||
| 1454 | G | 71.9 | Confident | 78.7 | Confident | 28 Ų | 28 | 50.5 Ų | 50.5 | 29% | 0.289 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 134.8 | -172.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y1456 V1469 | G1454-Y1456 WeakPolarHBondContact O-CD2 3.38Å; G1454-V1469 PolarHBondContact N-O 2.94Å; G1454-V1469 PolarHBondContact O-N 3.14Å |
| 1455 | R | 80.3 | Confident | 78.4 | Confident | 127 Ų | 127 | 48.4 Ų | 48.4 | 48% | 0.479 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 124 | 179.6 | -175.8 | 159.2 | -72.2 | -173.2 | -3.1 | 112.2 | P1422 F1466 D1468 | P1422-R1455 WeakPolarHBondContact CD-O 3.43Å; R1455-F1466 HydrophobicContact CG-CB 4.05Å; R1455-F1466 VanDerWaalsContact CZ-CD2 3.48Å; R1455-D1468 VanDerWaalsContact CA-OD1 3.32Å; R1455-D1468 WeakPolarHBondContact CA-OD1 3.11Å; R1455-D1468 WeakPolarHBondContact CB-OD1 3.29Å; R1455-D1468 VanDerWaalsContact CG-OD1 3.28Å; R1455-D1468 WeakPolarHBondContact CG-OD1 3.23Å; R1455-D1468 IonicContact CZ-OD1 3.37Å; R1455-D1468 IonicContact CZ-OD2 3.2Å; R1455-D1468 IonicContact NE-OD1 2.92Å; R1455-D1468 PolarHBondContact NE-OD1 2.97Å; R1455-D1468 IonicContact NE-OD2 2.66Å; R1455-D1468 IonicContact NH2-OD1 3.72Å; R1455-D1468 PolarHBondContact NH2-OD1 3.32Å; R1455-D1468 IonicContact NH2-OD2 3.37Å; R1455-D1468 PolarHBondContact NH2-OD2 3.26Å |
| 1456 | Y | 87.7 | Confident | 78.5 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 120.9 | 167.6 | -71.2 | -102.6 | 0 | 0 | 0 | 109.3 | L1404 I1420 K1421 P1422 A1425 L1443 D1452 G1454 F1466 I1467 V1469 | L1404-Y1456 HydrophobicContact CD1-CD1 3.81Å; L1404-Y1456 HydrophobicContact CD1-CD2 4.09Å; L1404-Y1456 HydrophobicContact CD1-CE1 4.47Å; L1404-Y1456 HydrophobicContact CD1-CG 3.59Å; I1420-Y1456 WeakPolarHBondContact O-CA 3.48Å; K1421-Y1456 HydrophobicContact CB-CD1 3.88Å; K1421-Y1456 HydrophobicContact CB-CE1 3.61Å; P1422-Y1456 HydrophobicContact CG-CD2 4.22Å; P1422-Y1456 HydrophobicContact CG-CE2 3.83Å; A1425-Y1456 WeakPolarHBondContact CB-OH 3.04Å; L1443-Y1456 HydrophobicContact CD1-CD1 3.84Å; L1443-Y1456 HydrophobicContact CD1-CE1 4.04Å; L1443-Y1456 HydrophobicContact CD2-CE1 4.23Å; D1452-Y1456 VanDerWaalsContact O-CE2 3.27Å; D1452-Y1456 WeakPolarHBondContact O-CE2 3.31Å; D1452-Y1456 PolarHBondContact O-OH 2.89Å; G1454-Y1456 WeakPolarHBondContact O-CD2 3.38Å; Y1456-F1466 WeakPolarHBondContact O-CA 3.21Å; Y1456-I1467 PolarHBondContact N-O 3.18Å; Y1456-I1467 PolarHBondContact O-N 2.67Å; Y1456-V1469 HydrophobicContact CD2-CB 3.91Å; Y1456-V1469 HydrophobicContact CD2-CG2 3.54Å; Y1456-V1469 HydrophobicContact CE2-CB 3.84Å; Y1456-V1469 HydrophobicContact CE2-CG1 4.44Å; Y1456-V1469 HydrophobicContact CE2-CG2 3.87Å; Y1456-V1469 HydrophobicContact CG-CG2 4.43Å |
| 1457 | E | 88.5 | Confident | 78.7 | Confident | 43 Ų | 43 | 47.5 Ų | 47.5 | 20% | 0.201 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 121.8 | -178.6 | -169.4 | -161.5 | 124.5 | 0 | 0 | 109.9 | W1419 I1420 R1459 A1464 A1465 F1466 | W1419-E1457 CarbonylContact C-O 3.13Å; I1420-E1457 HydrophobicContact CB-CB 4.26Å; I1420-E1457 PolarHBondContact N-O 3.1Å; I1420-E1457 PolarHBondContact O-N 3.24Å; E1457-R1459 IonicContact OE1-CZ 3.17Å; E1457-R1459 IonicContact OE1-NE 2.69Å; E1457-R1459 PolarHBondContact OE1-NE 2.04Å; E1457-R1459 IonicContact OE1-NH2 3.1Å; E1457-R1459 PolarHBondContact OE1-NH2 2.9Å; E1457-R1459 IonicContact OE2-NH2 2.78Å; E1457-R1459 PolarHBondContact OE2-NH2 3.37Å; E1457-A1464 HydrophobicContact CG-CB 3.94Å; E1457-A1464 WeakPolarHBondContact OE1-CB 3.29Å; E1457-A1465 CarbonylContact C-O 3.48Å; E1457-A1465 WeakPolarHBondContact CA-O 3.18Å; E1457-A1465 WeakPolarHBondContact CG-O 3.07Å; E1457-F1466 HydrophobicContact CB-CB 4.47Å; E1457-F1466 HydrophobicContact CG-CB 4.41Å |
| 1458 | C | 89.4 | Confident | 78.8 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 121.7 | 169 | -174.7 | 0 | 0 | 0 | 0 | 109.5 | V1384 I1386 C1406 Q1418 W1419 A1464 A1465 | V1384-C1458 HydrophobicContact CG1-CB 4.25Å; I1386-C1458 HydrophobicContact CD1-CB 3.81Å; I1386-C1458 HydrophobicContact CG1-CB 4.04Å; C1406-C1458 HydrophobicContact CB-CB 3.56Å; C1406-C1458 WeakPolarHBondContact CB-SG 3.38Å; C1406-C1458 WeakPolarHBondContact SG-CB 3.47Å; C1406-C1458 CovalentContact SG-SG 2.02Å; C1406-C1458 PolarHBondContact SG-SG 2.8Å; Q1418-C1458 WeakPolarHBondContact O-CA 3.44Å; W1419-C1458 HydrophobicContact CD2-CB 4.1Å; W1419-C1458 HydrophobicContact CE3-CB 3.88Å; W1419-C1458 HydrophobicContact CH2-CB 4.2Å; W1419-C1458 HydrophobicContact CZ2-CB 4.39Å; W1419-C1458 HydrophobicContact CZ3-CB 3.93Å; C1458-A1464 CarbonylContact O-C 3.46Å; C1458-A1464 VanDerWaalsContact O-CA 3.24Å; C1458-A1464 WeakPolarHBondContact O-CA 3.31Å; C1458-A1465 PolarHBondContact N-O 2.99Å; C1458-A1465 PolarHBondContact O-N 2.68Å |
| 1459 | R | 85.7 | Confident | 78.9 | Confident | 102 Ų | 102 | 42.5 Ų | 42.5 | 39% | 0.385 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 134.4 | -176.7 | -174.6 | 175.1 | -68.1 | -128.5 | 3.5 | 112.1 | G1417 Q1418 I1420 E1457 A1464 | G1417-R1459 WeakPolarHBondContact CA-O 3.44Å; Q1418-R1459 PolarHBondContact N-O 3.05Å; Q1418-R1459 PolarHBondContact O-N 2.66Å; I1420-R1459 HydrophobicContact CD1-CB 4.38Å; E1457-R1459 IonicContact OE1-CZ 3.17Å; E1457-R1459 IonicContact OE1-NE 2.69Å; E1457-R1459 PolarHBondContact OE1-NE 2.04Å; E1457-R1459 IonicContact OE1-NH2 3.1Å; E1457-R1459 PolarHBondContact OE1-NH2 2.9Å; E1457-R1459 IonicContact OE2-NH2 2.78Å; E1457-R1459 PolarHBondContact OE2-NH2 3.37Å; R1459-A1464 HydrophobicContact CB-CB 4.11Å; R1459-A1464 HydrophobicContact CG-CB 4.14Å |
| 1460 | A | 84.1 | Confident | 78.8 | Confident | 3 Ų | 3 | 41.5 Ų | 41.5 | 3% | 0.025 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 108 | 170 | 0 | 0 | 0 | 0 | 0 | 110.3 | I1382 V1384 V1408 N1462 V1463 | I1382-A1460 HydrophobicContact CG2-CB 4.21Å; V1384-A1460 HydrophobicContact CG2-CB 3.66Å; V1408-A1460 HydrophobicContact CB-CB 4.41Å; V1408-A1460 HydrophobicContact CG1-CB 3.51Å; V1408-A1460 HydrophobicContact CG2-CB 3.94Å; A1460-N1462 PolarHBondContact O-N 3.46Å; A1460-V1463 PolarHBondContact N-O 2.87Å; A1460-V1463 PolarHBondContact O-N 3.46Å |
| 1461 | G | 76.3 | Confident | 79.2 | Confident | 39 Ų | 39 | 40.6 Ų | 40.6 | 40% | 0.402 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.7 | -126.3 | -171.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 1462 | N | 73.9 | Confident | 78.8 | Confident | 162 Ų | 162 | 37.5 Ų | 37.5 | 87% | 0.866 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91 | -3.8 | 177.9 | -64.9 | -9.9 | 0 | 0 | 0 | 113.4 | A1460 | A1460-N1462 PolarHBondContact O-N 3.46Š|
| 1463 | V | 78.5 | Confident | 77.6 | Confident | 57 Ų | 57 | 40.4 Ų | 40.4 | 35% | 0.345 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 133.1 | -179.1 | -172.6 | 0 | 0 | 0 | 0 | 108.6 | V1384 A1460 | V1384-V1463 HydrophobicContact CB-CG1 4.17Å; V1384-V1463 HydrophobicContact CG2-CB 4.06Å; V1384-V1463 HydrophobicContact CG2-CG1 3.92Å; A1460-V1463 PolarHBondContact N-O 2.87Å; A1460-V1463 PolarHBondContact O-N 3.46Å |
| 1464 | A | 85.2 | Confident | 76.6 | Confident | 40 Ų | 40 | 42.6 Ų | 42.6 | 33% | 0.331 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 148.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | E1457 C1458 R1459 | E1457-A1464 HydrophobicContact CG-CB 3.94Å; E1457-A1464 WeakPolarHBondContact OE1-CB 3.29Å; C1458-A1464 CarbonylContact O-C 3.46Å; C1458-A1464 VanDerWaalsContact O-CA 3.24Å; C1458-A1464 WeakPolarHBondContact O-CA 3.31Å; R1459-A1464 HydrophobicContact CB-CB 4.11Å; R1459-A1464 HydrophobicContact CG-CB 4.14Å |
| 1465 | A | 86 | Confident | 75.5 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.008 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 154.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | V1384 I1386 E1389 E1457 C1458 | V1384-A1465 HydrophobicContact CB-CB 4.45Å; V1384-A1465 HydrophobicContact CG1-CB 3.91Å; I1386-A1465 HydrophobicContact CB-CB 4.45Å; I1386-A1465 VanDerWaalsContact CD1-C 3.45Å; I1386-A1465 HydrophobicContact CD1-CB 3.68Å; I1386-A1465 WeakPolarHBondContact CD1-O 3.02Å; I1386-A1465 HydrophobicContact CG1-CB 3.82Å; E1389-A1465 VanDerWaalsContact CD-CB 3.45Å; E1389-A1465 HydrophobicContact CG-CB 4.1Å; E1389-A1465 WeakPolarHBondContact OE1-CB 3.36Å; E1457-A1465 CarbonylContact C-O 3.48Å; E1457-A1465 WeakPolarHBondContact CA-O 3.18Å; E1457-A1465 WeakPolarHBondContact CG-O 3.07Å; C1458-A1465 PolarHBondContact N-O 2.99Å; C1458-A1465 PolarHBondContact O-N 2.68Å |
| 1466 | F | 86.9 | Confident | 74.3 | Confident | 81 Ų | 81 | 40.4 Ų | 40.4 | 36% | 0.355 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 156 | 176.9 | 63.2 | -89.9 | 0 | 0 | 0 | 112.2 | G1390 R1455 Y1456 E1457 | G1390-F1466 PolarHBondContact N-O 2.89Å; R1455-F1466 HydrophobicContact CG-CB 4.05Å; R1455-F1466 VanDerWaalsContact CZ-CD2 3.48Å; Y1456-F1466 WeakPolarHBondContact O-CA 3.21Å; E1457-F1466 HydrophobicContact CB-CB 4.47Å; E1457-F1466 HydrophobicContact CG-CB 4.41Å |
| 1467 | I | 83.5 | Confident | 73.2 | Confident | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 137.8 | 170.1 | -171.1 | 167.5 | 0 | 0 | 0 | 108.1 | I1386 M1387 G1388 M1393 L1404 W1419 Y1456 | I1386-I1467 HydrophobicContact CD1-CG2 4.45Å; I1386-I1467 HydrophobicContact CG2-CB 4.04Å; I1386-I1467 HydrophobicContact CG2-CD1 4.23Å; I1386-I1467 HydrophobicContact CG2-CG2 4.04Å; M1387-I1467 WeakPolarHBondContact O-CD1 3.22Å; G1388-I1467 WeakPolarHBondContact O-CD1 3.45Å; G1388-I1467 WeakPolarHBondContact O-CG1 3.37Å; M1393-I1467 HydrophobicContact CB-CD1 4.21Å; M1393-I1467 HydrophobicContact CE-CD1 3.87Å; L1404-I1467 HydrophobicContact CD1-CG2 4.01Å; L1404-I1467 HydrophobicContact CD2-CD1 4.29Å; L1404-I1467 HydrophobicContact CD2-CG2 4.12Å; W1419-I1467 HydrophobicContact CH2-CG2 4.23Å; W1419-I1467 HydrophobicContact CZ3-CG2 4.24Å; Y1456-I1467 PolarHBondContact N-O 3.18Å; Y1456-I1467 PolarHBondContact O-N 2.67Å |
| 1468 | D | 76.5 | Confident | 72.5 | Confident | 44 Ų | 44 | 44.2 Ų | 44.2 | 24% | 0.235 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 124.1 | 178.1 | -68.1 | -38.6 | 0 | 0 | 0 | 108.5 | V1392 M1393 R1455 | V1392-D1468 CarbonylContact C-O 3.51Å; V1392-D1468 WeakPolarHBondContact CA-O 3.26Å; V1392-D1468 HydrophobicContact CG2-CB 4.39Å; M1393-D1468 PolarHBondContact N-O 2.92Å; R1455-D1468 VanDerWaalsContact CA-OD1 3.32Å; R1455-D1468 WeakPolarHBondContact CA-OD1 3.11Å; R1455-D1468 WeakPolarHBondContact CB-OD1 3.29Å; R1455-D1468 VanDerWaalsContact CG-OD1 3.28Å; R1455-D1468 WeakPolarHBondContact CG-OD1 3.23Å; R1455-D1468 IonicContact CZ-OD1 3.37Å; R1455-D1468 IonicContact CZ-OD2 3.2Å; R1455-D1468 IonicContact NE-OD1 2.92Å; R1455-D1468 PolarHBondContact NE-OD1 2.97Å; R1455-D1468 IonicContact NE-OD2 2.66Å; R1455-D1468 IonicContact NH2-OD1 3.72Å; R1455-D1468 PolarHBondContact NH2-OD1 3.32Å; R1455-D1468 IonicContact NH2-OD2 3.37Å; R1455-D1468 PolarHBondContact NH2-OD2 3.26Å |
| 1469 | V | 78.3 | Confident | 72.2 | Confident | 6 Ų | 6 | 45.7 Ų | 45.7 | 4% | 0.036 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 133.1 | -176.2 | 177.9 | 0 | 0 | 0 | 0 | 109.7 | M1393 I1395 L1402 L1404 S1453 G1454 Y1456 V1471 | M1393-V1469 HydrophobicContact CB-CG2 4.47Å; I1395-V1469 HydrophobicContact CD1-CG1 3.43Å; I1395-V1469 VanDerWaalsContact CD1-CG1 3.43Å; L1402-V1469 HydrophobicContact CD1-CG1 4.39Å; L1402-V1469 HydrophobicContact CD2-CG1 3.87Å; L1404-V1469 HydrophobicContact CD1-CG2 4.08Å; L1404-V1469 HydrophobicContact CD2-CG2 4.14Å; S1453-V1469 CarbonylContact C-O 3.57Å; S1453-V1469 WeakPolarHBondContact CA-O 3.42Å; G1454-V1469 PolarHBondContact N-O 2.94Å; G1454-V1469 PolarHBondContact O-N 3.14Å; Y1456-V1469 HydrophobicContact CD2-CB 3.91Å; Y1456-V1469 HydrophobicContact CD2-CG2 3.54Å; Y1456-V1469 HydrophobicContact CE2-CB 3.84Å; Y1456-V1469 HydrophobicContact CE2-CG1 4.44Å; Y1456-V1469 HydrophobicContact CE2-CG2 3.87Å; Y1456-V1469 HydrophobicContact CG-CG2 4.43Å; V1469-V1471 HydrophobicContact CG1-CG2 4.38Å |
| 1470 | N | 67.9 | Low | 72.3 | Confident | 21 Ų | 21 | 40.9 Ų | 40.9 | 11% | 0.112 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 105.4 | 175 | -175.9 | 23.8 | 0 | 0 | 0 | 110.1 | V1392 M1393 H1394 I1395 E1472 | V1392-N1470 HydrophobicContact CG1-CB 4.36Å; M1393-N1470 PolarHBondContact O-N 2.9Å; H1394-N1470 WeakPolarHBondContact CA-O 3.4Å; H1394-N1470 PolarHBondContact ND1-ND2 3.11Å; I1395-N1470 PolarHBondContact N-O 3.27Å; N1470-E1472 PolarHBondContact ND2-OE1 2.85Å |
| 1471 | V | 69.2 | Low | 72.6 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 110.5 | 170.6 | -174.2 | 0 | 0 | 0 | 0 | 109.2 | I1395 I1398 P1448 T1449 D1452 S1453 V1469 | I1395-V1471 HydrophobicContact CB-CG2 4.48Å; I1395-V1471 HydrophobicContact CD1-CG2 3.74Å; I1398-V1471 HydrophobicContact CG2-CG1 3.94Å; P1448-V1471 HydrophobicContact CB-CG1 4.22Å; P1448-V1471 HydrophobicContact CB-CG2 4.02Å; T1449-V1471 WeakPolarHBondContact O-CB 3.24Å; T1449-V1471 WeakPolarHBondContact O-CG1 3.36Å; T1449-V1471 WeakPolarHBondContact O-CG2 3.04Å; D1452-V1471 HydrophobicContact CB-CG2 4.18Å; S1453-V1471 PolarHBondContact OG-N 2.96Å; V1469-V1471 HydrophobicContact CG1-CG2 4.38Å |
| 1472 | E | 57.8 | Low | 73.2 | Confident | 12 Ų | 12 | 38.9 Ų | 38.9 | 6% | 0.056 | 22% | 0.222 | C | C | . | . | trans | -95.5 | 111 | 172 | -54.1 | -173.6 | -170.1 | 0 | 0 | 107.6 | H1394 I1395 T1396 N1470 S1474 P1747 R1749 | H1394-E1472 IonicContact CE1-OE1 2.82Å; H1394-E1472 IonicContact CG-OE1 2.77Å; H1394-E1472 IonicContact ND1-OE1 3.91Å; H1394-E1472 PolarHBondContact ND1-OE1 2.92Å; I1395-E1472 PolarHBondContact O-N 3.14Å; T1396-E1472 HydrophobicContact CG2-CB 4.47Å; N1470-E1472 PolarHBondContact ND2-OE1 2.85Å; E1472-S1474 PolarHBondContact O-N 3.03Å; E1472-S1474 VanDerWaalsContact O-N 3.13Å; E1472-P1747 HydrophobicContact CB-CB 4.07Å; E1472-P1747 HydrophobicContact CG-CB 3.66Å; E1472-P1747 WeakPolarHBondContact OE2-CB 3.21Å; E1472-R1749 IonicContact OE2-CZ 3.18Å; E1472-R1749 IonicContact OE2-NE 2.72Å; E1472-R1749 IonicContact OE2-NH2 3.13Å; E1472-R1749 PolarHBondContact OE2-NH2 2.04Å | ||
| 1473 | E | 53.2 | Low | 73.7 | Confident | 62 Ų | 62 | 31.6 Ų | 31.6 | 29% | 0.29 | 18% | 0.184 | S | C | . | . | trans | -61.1 | 120.8 | 160 | -84.5 | -170.6 | 161.9 | 0 | 0 | 107.2 | I1398 I1450 A1475 | I1398-E1473 HydrophobicContact CD1-CG 4.47Å; I1398-E1473 HydrophobicContact CG2-CG 4.48Å; I1450-E1473 HydrophobicContact CD1-CB 3.88Å; I1450-E1473 HydrophobicContact CD1-CG 3.76Å; I1450-E1473 HydrophobicContact CG1-CB 4.31Å; I1450-E1473 HydrophobicContact CG1-CG 3.99Å; E1473-A1475 PolarHBondContact O-N 2.95Å; E1473-A1475 VanDerWaalsContact O-N 3.11Å | ||
| 1474 | S | 48.6 | Very low | 73.7 | Confident | 64 Ų | 64 | 29.5 Ų | 29.5 | 45% | 0.448 | 17% | 0.172 | S | C | . | . | trans | -50.3 | 120.3 | 171.2 | -27.3 | 0 | 0 | 0 | 0 | 107.4 | T1396 E1472 I1476 | T1396-S1474 PolarHBondContact O-OG 3.23Å; E1472-S1474 PolarHBondContact O-N 3.03Å; E1472-S1474 VanDerWaalsContact O-N 3.13Å; S1474-I1476 PolarHBondContact O-N 2.97Å | ||
| 1475 | A | 47.8 | Very low | 73.1 | Confident | 24 Ų | 24 | 28.2 Ų | 28.2 | 20% | 0.198 | 16% | 0.159 | C | C | . | . | trans | -62.1 | 104.2 | -154.3 | 0 | 0 | 0 | 0 | 0 | 111 | E1473 P1477 D1495 | E1473-A1475 PolarHBondContact O-N 2.95Å; E1473-A1475 VanDerWaalsContact O-N 3.11Å; A1475-P1477 WeakPolarHBondContact O-CD 3.43Å; A1475-D1495 PolarHBondContact N-OD1 3.11Å | ||
| 1476 | I | 54.9 | Low | 72.2 | Confident | 86 Ų | 86 | 29.6 Ų | 29.6 | 44% | 0.441 | 17% | 0.166 | S | C | . | . | trans | -58.4 | 115.3 | 169.8 | -59.5 | 175.3 | 0 | 0 | 0 | 105.4 | S1474 F1478 S1493 | S1474-I1476 PolarHBondContact O-N 2.97Å; I1476-F1478 WeakPolarHBondContact O-CD1 3.36Å; I1476-F1478 PolarHBondContact O-N 2.97Å; I1476-S1493 PolarHBondContact O-OG 2.57Å | ||
| 1477 | P | 64.7 | Low | 71.9 | Confident | 95 Ų | 95 | 26 Ų | 26 | 62% | 0.617 | 15% | 0.153 | S | C | * | . | trans | -66.2 | 109.5 | -172.4 | 24.3 | -32.6 | 0 | 0 | 0 | 109.1 | A1475 | A1475-P1477 WeakPolarHBondContact O-CD 3.43Š| ||
| 1478 | F | 74.8 | Confident | 71.8 | Confident | 27 Ų | 27 | 26.3 Ų | 26.3 | 12% | 0.118 | 15% | 0.154 | C | C | . | . | trans | -114.1 | 158.1 | 176 | 56.4 | -105.3 | 0 | 0 | 0 | 109.9 | I1476 V1480 S1493 Y1728 L1733 V1767 | I1476-F1478 WeakPolarHBondContact O-CD1 3.36Å; I1476-F1478 PolarHBondContact O-N 2.97Å; F1478-V1480 HydrophobicContact CD2-CG2 3.83Å; F1478-V1480 HydrophobicContact CE2-CG2 3.61Å; F1478-S1493 WeakPolarHBondContact CD1-OG 3.48Å; F1478-S1493 WeakPolarHBondContact CG-OG 3.49Å; F1478-S1493 PolarHBondContact N-OG 3.32Å; F1478-S1493 PolarHBondContact O-N 3.48Å; F1478-S1493 PolarHBondContact O-OG 3.13Å; F1478-Y1728 HydrophobicContact CB-CD1 4.32Å; F1478-Y1728 HydrophobicContact CB-CE1 3.71Å; F1478-Y1728 AromaticContact CD1-CD1 3.75Å; F1478-Y1728 HydrophobicContact CD1-CD1 3.75Å; F1478-Y1728 AromaticContact CD1-CE1 3.68Å; F1478-Y1728 HydrophobicContact CD1-CE1 3.68Å; F1478-Y1728 HydrophobicContact CD2-CD1 4.14Å; F1478-Y1728 HydrophobicContact CD2-CE1 4.38Å; F1478-Y1728 HydrophobicContact CE1-CD1 4.04Å; F1478-Y1728 HydrophobicContact CE1-CE1 4.4Å; F1478-Y1728 HydrophobicContact CE2-CD1 4.39Å; F1478-Y1728 AromaticContact CG-CD1 3.82Å; F1478-Y1728 HydrophobicContact CG-CD1 3.82Å; F1478-Y1728 AromaticContact CG-CE1 3.68Å; F1478-Y1728 HydrophobicContact CG-CE1 3.68Å; F1478-Y1728 HydrophobicContact CZ-CD1 4.35Å; F1478-L1733 HydrophobicContact CE2-CD1 3.84Å; F1478-L1733 HydrophobicContact CZ-CD1 4.16Å; F1478-V1767 HydrophobicContact CB-CG1 4.4Å; F1478-V1767 HydrophobicContact CD2-CG1 3.66Å; F1478-V1767 HydrophobicContact CD2-CG2 4.2Å; F1478-V1767 HydrophobicContact CE2-CG1 4.28Å; F1478-V1767 HydrophobicContact CE2-CG2 4.06Å; F1478-V1767 HydrophobicContact CG-CG1 4.25Å | ||
| 1479 | T | 83 | Confident | 72.2 | Confident | 32 Ų | 32 | 24.4 Ų | 24.4 | 20% | 0.196 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 116.3 | -175.5 | -62.8 | 0 | 0 | 0 | 0 | 110 | M1490 V1767 L1768 | T1479-M1490 HydrophobicContact CG2-CG 3.37Å; T1479-M1490 HydrophobicContact CG2-SD 3.7Å; T1479-V1767 WeakPolarHBondContact O-CA 3.04Å; T1479-L1768 PolarHBondContact O-N 3.46Å |
| 1480 | V | 88.4 | Confident | 72.6 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 130.4 | 173.6 | -176.6 | 0 | 0 | 0 | 0 | 108.4 | F1478 L1482 T1491 L1765 V1767 | F1478-V1480 HydrophobicContact CD2-CG2 3.83Å; F1478-V1480 HydrophobicContact CE2-CG2 3.61Å; V1480-L1482 HydrophobicContact CG1-CG 4.3Å; V1480-T1491 HydrophobicContact CB-CG2 3.87Å; V1480-T1491 HydrophobicContact CG1-CG2 4.38Å; V1480-T1491 PolarHBondContact N-O 2.03Å; V1480-T1491 PolarHBondContact O-N 2.82Å; V1480-T1491 VanDerWaalsContact O-O 3.1Å; V1480-L1765 HydrophobicContact CG1-CD1 3.71Å; V1480-L1765 HydrophobicContact CG1-CG 4.03Å; V1480-V1767 HydrophobicContact CG2-CG2 4.41Å |
| 1481 | L | 88.7 | Confident | 73.4 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 132.4 | 175.8 | -68.2 | 156.9 | 0 | 0 | 0 | 108.9 | I1488 L1489 M1490 W1504 M1517 I1526 L1765 S1766 L1768 | L1481-I1488 HydrophobicContact CB-CG2 4.48Å; L1481-I1488 HydrophobicContact CD2-CG2 3.97Å; L1481-L1489 WeakPolarHBondContact CA-O 3.2Å; L1481-M1490 HydrophobicContact CD2-CB 3.94Å; L1481-M1490 HydrophobicContact CD2-CG 4.21Å; L1481-W1504 HydrophobicContact CD2-CD2 4.19Å; L1481-W1504 HydrophobicContact CD2-CG 4.26Å; L1481-M1517 HydrophobicContact CB-CE 3.87Å; L1481-M1517 HydrophobicContact CB-SD 4.36Å; L1481-M1517 WeakPolarHBondContact O-CE 3.46Å; L1481-I1526 HydrophobicContact CD1-CG2 3.53Å; L1481-L1765 WeakPolarHBondContact O-CA 3.45Å; L1481-S1766 PolarHBondContact N-O 2.92Å; L1481-S1766 PolarHBondContact O-N 3.06Å; L1481-L1768 HydrophobicContact CD1-CB 4.15Å |
| 1482 | L | 88.7 | Confident | 74 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 133.5 | -175.3 | -72.4 | 161.2 | 0 | 0 | 0 | 108.8 | V1480 L1489 T1491 T1735 Y1742 V1753 F1762 L1765 | V1480-L1482 HydrophobicContact CG1-CG 4.3Å; L1482-L1489 HydrophobicContact CB-CB 4.28Å; L1482-L1489 PolarHBondContact N-O 3.23Å; L1482-L1489 PolarHBondContact O-N 3.26Å; L1482-T1491 HydrophobicContact CD1-CG2 4.08Å; L1482-T1735 HydrophobicContact CD2-CG2 3.58Å; L1482-Y1742 HydrophobicContact CD1-CD1 4.1Å; L1482-V1753 HydrophobicContact CD1-CG1 4.45Å; L1482-V1753 HydrophobicContact CD1-CG2 3.83Å; L1482-F1762 HydrophobicContact CB-CD1 4.18Å; L1482-F1762 HydrophobicContact CB-CE1 4.3Å; L1482-F1762 HydrophobicContact CD1-CD2 4.43Å; L1482-F1762 HydrophobicContact CD1-CE1 4.35Å; L1482-F1762 HydrophobicContact CD1-CE2 3.99Å; L1482-F1762 HydrophobicContact CD1-CZ 3.96Å; L1482-F1762 HydrophobicContact CD2-CB 4.2Å; L1482-F1762 HydrophobicContact CD2-CD1 4.36Å; L1482-F1762 HydrophobicContact CD2-CD2 3.79Å; L1482-F1762 HydrophobicContact CD2-CE2 4.18Å; L1482-F1762 HydrophobicContact CD2-CG 3.88Å; L1482-L1765 HydrophobicContact CD2-CB 4.13Å; L1482-L1765 HydrophobicContact CD2-CD1 3.78Å; L1482-L1765 HydrophobicContact CD2-CG 4.27Å |
| 1483 | T | 84.6 | Confident | 74.8 | Confident | 10 Ų | 10 | 31.5 Ų | 31.5 | 6% | 0.061 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 124.3 | 167.8 | 60.1 | 0 | 0 | 0 | 0 | 109.6 | V1515 M1517 F1762 Q1763 A1764 | T1483-V1515 HydrophobicContact CG2-CB 4.29Å; T1483-V1515 HydrophobicContact CG2-CG1 3.86Å; T1483-M1517 HydrophobicContact CG2-CE 3.96Å; T1483-M1517 HydrophobicContact CG2-SD 4.2Å; T1483-F1762 WeakPolarHBondContact O-CA 2.98Å; T1483-F1762 WeakPolarHBondContact O-CD1 3.33Å; T1483-Q1763 PolarHBondContact OG1-N 3.27Å; T1483-A1764 HydrophobicContact CG2-CB 3.96Å; T1483-A1764 PolarHBondContact N-O 2.8Å; T1483-A1764 PolarHBondContact OG1-N 2.9Å; T1483-A1764 PolarHBondContact OG1-O 3.17Å |
| 1484 | S | 79.7 | Confident | 75.5 | Confident | 13 Ų | 13 | 31 Ų | 31 | 9% | 0.091 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 177.8 | 162.4 | 75.5 | 0 | 0 | 0 | 0 | 109.9 | D1486 G1487 L1489 | S1484-D1486 PolarHBondContact O-N 2.86Å; S1484-D1486 PolarHBondContact OG-N 3.4Å; S1484-G1487 PolarHBondContact N-O 3.32Å; S1484-G1487 CarbonylContact O-C 3.55Å; S1484-G1487 WeakPolarHBondContact O-CA 3.32Å; S1484-G1487 PolarHBondContact O-N 2.98Å; S1484-L1489 WeakPolarHBondContact OG-CD1 3.29Å |
| 1485 | D | 71.7 | Confident | 76.1 | Confident | 12 Ų | 12 | 33 Ų | 33 | 6% | 0.064 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -0.8 | 176.4 | -54.7 | -59.6 | 0 | 0 | 0 | 113.6 | E1087 K1089 K1511 Y1512 S1759 | E1087-D1485 WeakPolarHBondContact OE2-CB 3.38Å; K1089-D1485 VanDerWaalsContact NZ-C 3.27Å; K1089-D1485 PolarHBondContact NZ-O 3.3Å; D1485-K1511 HydrophobicContact CB-CD 4.42Å; D1485-K1511 HydrophobicContact CB-CG 3.69Å; D1485-K1511 WeakPolarHBondContact O-CE 3.37Å; D1485-Y1512 HydrophobicContact CB-CE1 4.31Å; D1485-Y1512 WeakPolarHBondContact OD1-CE1 3.38Å; D1485-Y1512 PolarHBondContact OD1-N 2.87Å; D1485-Y1512 VanDerWaalsContact OD1-N 3.11Å; D1485-Y1512 WeakPolarHBondContact OD2-CE1 3.43Å; D1485-S1759 WeakPolarHBondContact OD2-CB 3.24Å; D1485-S1759 PolarHBondContact OD2-OG 3.34Å |
| 1486 | D | 68 | Low | 77.2 | Confident | 30 Ų | 30 | 34.9 Ų | 34.9 | 16% | 0.16 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -16.8 | 162.6 | -65.7 | -29.5 | 0 | 0 | 0 | 111.8 | K1089 S1484 L1503 I1506 A1507 C1757 | K1089-D1486 WeakPolarHBondContact CE-OD1 3.44Å; K1089-D1486 IonicContact NZ-OD1 2.79Å; K1089-D1486 PolarHBondContact NZ-OD1 3.37Å; S1484-D1486 PolarHBondContact O-N 2.86Å; S1484-D1486 PolarHBondContact OG-N 3.4Å; D1486-L1503 HydrophobicContact CB-CD1 4.16Å; D1486-L1503 WeakPolarHBondContact O-CD1 3.25Å; D1486-I1506 CarbonylContact O-C 3.54Å; D1486-I1506 WeakPolarHBondContact O-CA 3.22Å; D1486-A1507 PolarHBondContact O-N 2.93Å; D1486-C1757 PolarHBondContact OD1-SG 2.59Å; D1486-C1757 WeakPolarHBondContact OD2-CA 3.44Å; D1486-C1757 WeakPolarHBondContact OD2-CB 3.49Å; D1486-C1757 PolarHBondContact OD2-N 2.96Å |
| 1487 | G | 79.2 | Confident | 78.1 | Confident | 7 Ų | 7 | 35.2 Ų | 35.2 | 7% | 0.072 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 128.2 | -142.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | S1484 N1505 A1507 | S1484-G1487 PolarHBondContact N-O 3.32Å; S1484-G1487 CarbonylContact O-C 3.55Å; S1484-G1487 WeakPolarHBondContact O-CA 3.32Å; S1484-G1487 PolarHBondContact O-N 2.98Å; G1487-N1505 CarbonylContact C-O 3.51Å; G1487-N1505 WeakPolarHBondContact CA-O 3.5Å; G1487-A1507 VanDerWaalsContact CA-N 3.26Å |
| 1488 | I | 82.3 | Confident | 78.8 | Confident | 8 Ų | 8 | 33.1 Ų | 33.1 | 4% | 0.041 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 116.5 | 176.7 | -57.1 | 179.5 | 0 | 0 | 0 | 107.8 | L1481 W1504 N1505 M1517 I1526 Y1528 | L1481-I1488 HydrophobicContact CB-CG2 4.48Å; L1481-I1488 HydrophobicContact CD2-CG2 3.97Å; I1488-W1504 HydrophobicContact CB-CE3 4.06Å; I1488-W1504 HydrophobicContact CD1-CZ3 4.41Å; I1488-W1504 HydrophobicContact CG2-CE3 3.83Å; I1488-W1504 HydrophobicContact CG2-CZ3 4.39Å; I1488-W1504 WeakPolarHBondContact O-CA 3.03Å; I1488-W1504 VanDerWaalsContact O-CB 3.31Å; I1488-W1504 WeakPolarHBondContact O-CB 3.37Å; I1488-W1504 PolarHBondContact O-N 3.17Å; I1488-N1505 HydrophobicContact CB-CB 4.26Å; I1488-N1505 PolarHBondContact N-O 2.79Å; I1488-N1505 PolarHBondContact O-N 2.75Å; I1488-M1517 HydrophobicContact CD1-SD 4.17Å; I1488-M1517 HydrophobicContact CG2-SD 4.16Å; I1488-I1526 HydrophobicContact CD1-CD1 3.51Å; I1488-I1526 HydrophobicContact CG2-CD1 4.3Å; I1488-Y1528 HydrophobicContact CD1-CD1 3.73Å; I1488-Y1528 HydrophobicContact CD1-CD2 4.13Å; I1488-Y1528 HydrophobicContact CD1-CE1 3.73Å; I1488-Y1528 HydrophobicContact CD1-CE2 4.13Å; I1488-Y1528 HydrophobicContact CD1-CG 3.95Å |
| 1489 | L | 85.3 | Confident | 79.3 | Confident | 3 Ų | 3 | 32.2 Ų | 32.2 | 2% | 0.016 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 136.1 | 174.9 | -60.1 | -179.7 | 0 | 0 | 0 | 109.8 | L1481 L1482 S1484 A1501 L1503 V1756 F1762 | L1481-L1489 WeakPolarHBondContact CA-O 3.2Å; L1482-L1489 HydrophobicContact CB-CB 4.28Å; L1482-L1489 PolarHBondContact N-O 3.23Å; L1482-L1489 PolarHBondContact O-N 3.26Å; S1484-L1489 WeakPolarHBondContact OG-CD1 3.29Å; L1489-A1501 HydrophobicContact CB-CB 4.23Å; L1489-A1501 HydrophobicContact CD1-CB 4.05Å; L1489-A1501 HydrophobicContact CD2-CB 4.31Å; L1489-A1501 HydrophobicContact CG-CB 4.45Å; L1489-L1503 HydrophobicContact CD2-CB 4.45Å; L1489-L1503 HydrophobicContact CD2-CD1 3.76Å; L1489-V1756 HydrophobicContact CD1-CB 4.44Å; L1489-V1756 HydrophobicContact CD1-CG1 4.13Å; L1489-V1756 HydrophobicContact CD1-CG2 3.84Å; L1489-F1762 HydrophobicContact CD1-CE1 4.11Å |
| 1490 | M | 85.2 | Confident | 79.3 | Confident | 59 Ų | 59 | 36.8 Ų | 36.8 | 29% | 0.291 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 130.3 | 170.9 | -178.9 | -178.1 | 65.3 | 0 | 0 | 109.6 | T1479 L1481 T1502 W1504 | T1479-M1490 HydrophobicContact CG2-CG 3.37Å; T1479-M1490 HydrophobicContact CG2-SD 3.7Å; L1481-M1490 HydrophobicContact CD2-CB 3.94Å; L1481-M1490 HydrophobicContact CD2-CG 4.21Å; M1490-T1502 WeakPolarHBondContact CE-OG1 3.48Å; M1490-T1502 PolarHBondContact N-O 3.38Å; M1490-T1502 PolarHBondContact O-N 2.76Å; M1490-T1502 PolarHBondContact O-OG1 3.03Å; M1490-W1504 HydrophobicContact CB-CB 3.67Å; M1490-W1504 HydrophobicContact CB-CG 3.95Å; M1490-W1504 VanDerWaalsContact SD-CD1 3.53Å |
| 1491 | T | 85.4 | Confident | 78.9 | Confident | 3 Ų | 3 | 37.2 Ų | 37.2 | 2% | 0.018 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 158.2 | 174.1 | -165.5 | 0 | 0 | 0 | 0 | 110.4 | V1480 L1482 T1499 K1500 Y1742 | V1480-T1491 HydrophobicContact CB-CG2 3.87Å; V1480-T1491 HydrophobicContact CG1-CG2 4.38Å; V1480-T1491 PolarHBondContact N-O 2.03Å; V1480-T1491 PolarHBondContact O-N 2.82Å; V1480-T1491 VanDerWaalsContact O-O 3.1Å; L1482-T1491 HydrophobicContact CD1-CG2 4.08Å; T1491-T1499 HydrophobicContact CG2-CG2 4.02Å; T1491-T1499 WeakPolarHBondContact OG1-CG2 3.49Å; T1491-T1499 PolarHBondContact OG1-OG1 3.07Å; T1491-K1500 PolarHBondContact OG1-O 2.58Å; T1491-Y1742 HydrophobicContact CG2-CE1 4.21Å |
| 1492 | Q | 81.1 | Confident | 78.5 | Confident | 118 Ų | 118 | 40.7 Ų | 40.7 | 55% | 0.551 | 22% | 0.223 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 143.3 | 171.7 | -67.6 | -178.9 | -13.2 | 0 | 0 | 109.9 | T1494 T1499 | Q1492-T1494 HydrophobicContact CB-CG2 4.48Å; Q1492-T1494 PolarHBondContact O-N 3.01Å; Q1492-T1499 PolarHBondContact O-OG1 3.04Å |
| 1493 | S | 75.1 | Confident | 77.9 | Confident | 9 Ų | 9 | 45.2 Ų | 45.2 | 6% | 0.063 | 25% | 0.247 | C | C | . | . | trans | -65.9 | 128.6 | 161.6 | 59.1 | 0 | 0 | 0 | 0 | 108.5 | I1476 F1478 | I1476-S1493 PolarHBondContact O-OG 2.57Å; F1478-S1493 WeakPolarHBondContact CD1-OG 3.48Å; F1478-S1493 WeakPolarHBondContact CG-OG 3.49Å; F1478-S1493 PolarHBondContact N-OG 3.32Å; F1478-S1493 PolarHBondContact O-N 3.48Å; F1478-S1493 PolarHBondContact O-OG 3.13Å | ||
| 1494 | T | 68.4 | Low | 77.2 | Confident | 52 Ų | 52 | 46 Ų | 46 | 32% | 0.319 | 25% | 0.249 | S | C | . | . | trans | -135.7 | 155.6 | -177 | 58.6 | 0 | 0 | 0 | 0 | 109.1 | Q1492 S1496 | Q1492-T1494 HydrophobicContact CB-CG2 4.48Å; Q1492-T1494 PolarHBondContact O-N 3.01Å; T1494-S1496 PolarHBondContact O-N 2.72Å | ||
| 1495 | D | 61.1 | Low | 76.7 | Confident | 106 Ų | 106 | 46.7 Ų | 46.7 | 57% | 0.567 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -65.1 | -9.8 | 175.9 | -59.8 | -57.1 | 0 | 0 | 0 | 114.4 | A1475 R1749 | A1475-D1495 PolarHBondContact N-OD1 3.11Å; D1495-R1749 PolarHBondContact O-NH1 2.81Å |
| 1496 | S | 70.3 | Confident | 76.3 | Confident | 62 Ų | 62 | 51 Ų | 51 | 43% | 0.434 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -83.1 | 142.7 | 175.8 | -173.2 | 0 | 0 | 0 | 0 | 112.8 | T1494 V1498 | T1494-S1496 PolarHBondContact O-N 2.72Å; S1496-V1498 WeakPolarHBondContact CB-O 3.14Å; S1496-V1498 PolarHBondContact O-N 3.01Å; S1496-V1498 PolarHBondContact OG-N 2.93Å; S1496-V1498 VanDerWaalsContact OG-N 3.15Å; S1496-V1498 PolarHBondContact OG-O 2.83Å |
| 1497 | N | 75.2 | Confident | 75.9 | Confident | 94 Ų | 94 | 51 Ų | 51 | 50% | 0.503 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -65.9 | 1.8 | 166.4 | -65.5 | -15.2 | 0 | 0 | 0 | 113.1 | R1752 | N1497-R1752 PolarHBondContact O-N 2.78Š|
| 1498 | V | 79.6 | Confident | 75.2 | Confident | 51 Ų | 51 | 52.4 Ų | 52.4 | 31% | 0.309 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 122 | 175.9 | -177.5 | 0 | 0 | 0 | 0 | 109.6 | S1496 R1752 R1754 | S1496-V1498 WeakPolarHBondContact CB-O 3.14Å; S1496-V1498 PolarHBondContact O-N 3.01Å; S1496-V1498 PolarHBondContact OG-N 2.93Å; S1496-V1498 VanDerWaalsContact OG-N 3.15Å; S1496-V1498 PolarHBondContact OG-O 2.83Å; V1498-R1752 VanDerWaalsContact CA-O 3.31Å; V1498-R1752 WeakPolarHBondContact CA-O 3.32Å; V1498-R1754 HydrophobicContact CG1-CG 3.73Å |
| 1499 | T | 84.4 | Confident | 74.4 | Confident | 7 Ų | 7 | 54.9 Ų | 54.9 | 4% | 0.043 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 165.9 | 173.8 | -164.2 | 0 | 0 | 0 | 0 | 111.3 | T1491 Q1492 Y1742 I1751 R1752 V1753 R1754 | T1491-T1499 HydrophobicContact CG2-CG2 4.02Å; T1491-T1499 WeakPolarHBondContact OG1-CG2 3.49Å; T1491-T1499 PolarHBondContact OG1-OG1 3.07Å; Q1492-T1499 PolarHBondContact O-OG1 3.04Å; T1499-Y1742 HydrophobicContact CG2-CE1 4.08Å; T1499-I1751 HydrophobicContact CG2-CG2 3.64Å; T1499-R1752 PolarHBondContact N-O 2.76Å; T1499-V1753 HydrophobicContact CG2-CG2 4.14Å; T1499-R1754 PolarHBondContact O-N 2.75Å |
| 1500 | K | 82.6 | Confident | 73.2 | Confident | 128 Ų | 128 | 55.8 Ų | 55.8 | 56% | 0.557 | 30% | 0.3 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 118.4 | -177 | -62 | -169.9 | 172.8 | -158 | 0 | 109.9 | T1491 Y1755 | T1491-K1500 PolarHBondContact OG1-O 2.58Å; K1500-Y1755 HydrophobicContact CB-CD2 4.03Å; K1500-Y1755 HydrophobicContact CB-CE2 4.19Å; K1500-Y1755 HydrophobicContact CD-CD2 4.26Å; K1500-Y1755 HydrophobicContact CD-CE2 3.57Å; K1500-Y1755 HydrophobicContact CG-CD2 4.06Å; K1500-Y1755 HydrophobicContact CG-CE2 3.73Å; K1500-Y1755 PolarHBondContact NZ-OH 3.31Å |
| 1501 | A | 81.4 | Confident | 71.8 | Confident | 9 Ų | 9 | 53.6 Ų | 53.6 | 7% | 0.074 | 29% | 0.289 | C | S | . | . | trans | -69.5 | 148.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L1489 V1753 R1754 | L1489-A1501 HydrophobicContact CB-CB 4.23Å; L1489-A1501 HydrophobicContact CD1-CB 4.05Å; L1489-A1501 HydrophobicContact CD2-CB 4.31Å; L1489-A1501 HydrophobicContact CG-CB 4.45Å; A1501-V1753 HydrophobicContact CB-CG1 3.68Å; A1501-R1754 WeakPolarHBondContact CB-O 3.02Å; A1501-R1754 PolarHBondContact N-O 3.26Å | ||
| 1502 | T | 79.1 | Confident | 70.5 | Confident | 74 Ų | 74 | 54.4 Ų | 54.4 | 45% | 0.454 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 134.8 | 162.4 | 53.2 | 0 | 0 | 0 | 0 | 107.5 | M1490 W1504 | M1490-T1502 WeakPolarHBondContact CE-OG1 3.48Å; M1490-T1502 PolarHBondContact N-O 3.38Å; M1490-T1502 PolarHBondContact O-N 2.76Å; M1490-T1502 PolarHBondContact O-OG1 3.03Å; T1502-W1504 PolarHBondContact O-N 3.14Å |
| 1503 | L | 77 | Confident | 69.7 | Low | 95 Ų | 95 | 49.2 Ų | 49.2 | 50% | 0.497 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 118.2 | 177.4 | -174.4 | 61.7 | 0 | 0 | 0 | 109.2 | D1486 L1489 N1505 I1506 | D1486-L1503 HydrophobicContact CB-CD1 4.16Å; D1486-L1503 WeakPolarHBondContact O-CD1 3.25Å; L1489-L1503 HydrophobicContact CD2-CB 4.45Å; L1489-L1503 HydrophobicContact CD2-CD1 3.76Å; L1503-N1505 WeakPolarHBondContact CD1-O 3.28Å; L1503-I1506 HydrophobicContact CD2-CG1 4Å |
| 1504 | W | 68.5 | Low | 69.7 | Low | 26 Ų | 26 | 51.6 Ų | 51.6 | 10% | 0.098 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | -39.4 | -172.8 | -177.6 | 94.5 | 0 | 0 | 0 | 111.7 | L1481 I1488 M1490 T1502 I1526 S1541 L1548 | L1481-W1504 HydrophobicContact CD2-CD2 4.19Å; L1481-W1504 HydrophobicContact CD2-CG 4.26Å; I1488-W1504 HydrophobicContact CB-CE3 4.06Å; I1488-W1504 HydrophobicContact CD1-CZ3 4.41Å; I1488-W1504 HydrophobicContact CG2-CE3 3.83Å; I1488-W1504 HydrophobicContact CG2-CZ3 4.39Å; I1488-W1504 WeakPolarHBondContact O-CA 3.03Å; I1488-W1504 VanDerWaalsContact O-CB 3.31Å; I1488-W1504 WeakPolarHBondContact O-CB 3.37Å; I1488-W1504 PolarHBondContact O-N 3.17Å; M1490-W1504 HydrophobicContact CB-CB 3.67Å; M1490-W1504 HydrophobicContact CB-CG 3.95Å; M1490-W1504 VanDerWaalsContact SD-CD1 3.53Å; T1502-W1504 PolarHBondContact O-N 3.14Å; W1504-I1526 HydrophobicContact CE3-CD1 4.17Å; W1504-I1526 HydrophobicContact CH2-CD1 3.44Å; W1504-I1526 VanDerWaalsContact CH2-CD1 3.44Å; W1504-I1526 HydrophobicContact CH2-CG1 3.62Å; W1504-I1526 HydrophobicContact CH2-CG2 4.23Å; W1504-I1526 HydrophobicContact CZ2-CD1 4.49Å; W1504-I1526 HydrophobicContact CZ3-CD1 3.25Å; W1504-I1526 HydrophobicContact CZ3-CG1 3.93Å; W1504-S1541 WeakPolarHBondContact CZ2-OG 3.48Å; W1504-L1548 HydrophobicContact CD2-CD1 3.83Å; W1504-L1548 HydrophobicContact CE3-CD1 4.13Å; W1504-L1548 HydrophobicContact CE3-CD2 4.29Å; W1504-L1548 HydrophobicContact CH2-CD1 3.64Å; W1504-L1548 HydrophobicContact CH2-CD2 3.2Å; W1504-L1548 HydrophobicContact CH2-CG 4.02Å; W1504-L1548 HydrophobicContact CZ2-CD1 3.3Å; W1504-L1548 HydrophobicContact CZ2-CD2 3.81Å; W1504-L1548 HydrophobicContact CZ2-CG 4.15Å; W1504-L1548 HydrophobicContact CZ3-CD1 4.03Å; W1504-L1548 HydrophobicContact CZ3-CD2 3.48Å; W1504-L1548 VanDerWaalsContact CZ3-CD2 3.48Å; W1504-L1548 HydrophobicContact CZ3-CG 4.31Å |
| 1505 | N | 70.5 | Confident | 70.3 | Confident | 28 Ų | 28 | 49.7 Ų | 49.7 | 15% | 0.15 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 146.5 | 162.2 | -170.1 | 33.4 | 0 | 0 | 0 | 110.3 | G1487 I1488 L1503 Y1528 | G1487-N1505 CarbonylContact C-O 3.51Å; G1487-N1505 WeakPolarHBondContact CA-O 3.5Å; I1488-N1505 HydrophobicContact CB-CB 4.26Å; I1488-N1505 PolarHBondContact N-O 2.79Å; I1488-N1505 PolarHBondContact O-N 2.75Å; L1503-N1505 WeakPolarHBondContact CD1-O 3.28Å; N1505-Y1528 PolarHBondContact ND2-OH 2.79Å |
| 1506 | I | 63.1 | Low | 71.5 | Confident | 101 Ų | 101 | 45.6 Ų | 45.6 | 52% | 0.518 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 152.5 | 176.2 | -60.6 | 169.9 | 0 | 0 | 0 | 109.3 | D1486 L1503 E1508 | D1486-I1506 CarbonylContact O-C 3.54Å; D1486-I1506 WeakPolarHBondContact O-CA 3.22Å; L1503-I1506 HydrophobicContact CD2-CG1 4Å; I1506-E1508 PolarHBondContact O-N 2.77Å |
| 1507 | A | 58.7 | Low | 72.5 | Confident | 30 Ų | 30 | 43.1 Ų | 43.1 | 25% | 0.248 | 23% | 0.228 | C | C | . | . | P | Polyproline II helix | trans | -53.7 | 120.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111 | D1486 G1487 | D1486-A1507 PolarHBondContact O-N 2.93Å; G1487-A1507 VanDerWaalsContact CA-N 3.26Å |
| 1508 | E | 64.9 | Low | 73.1 | Confident | 37 Ų | 37 | 39.7 Ų | 39.7 | 17% | 0.173 | 21% | 0.21 | C | C | . | . | P | Polyproline II helix | trans | -86.2 | 172.3 | 155.8 | -66.4 | 155.9 | 151.6 | 0 | 0 | 107.6 | I1506 N1510 Y1528 R1537 T1550 | I1506-E1508 PolarHBondContact O-N 2.77Å; E1508-N1510 VanDerWaalsContact C-N 3.33Å; E1508-N1510 WeakPolarHBondContact O-CB 3.22Å; E1508-N1510 PolarHBondContact O-N 2.02Å; E1508-Y1528 PolarHBondContact OE1-OH 3.35Å; E1508-Y1528 WeakPolarHBondContact OE2-CE2 3.23Å; E1508-Y1528 VanDerWaalsContact OE2-CZ 3.27Å; E1508-Y1528 PolarHBondContact OE2-OH 2.98Å; E1508-R1537 VanDerWaalsContact OE1-CD 3.29Å; E1508-R1537 WeakPolarHBondContact OE1-CD 3.21Å; E1508-R1537 IonicContact OE1-CZ 3.71Å; E1508-R1537 IonicContact OE1-NE 2.71Å; E1508-R1537 PolarHBondContact OE1-NE 3.21Å; E1508-R1537 IonicContact OE1-NH1 3.72Å; E1508-R1537 PolarHBondContact OE1-NH1 3.14Å; E1508-R1537 WeakPolarHBondContact OE2-CD 3.18Å; E1508-R1537 IonicContact OE2-NE 3.52Å; E1508-R1537 PolarHBondContact OE2-NE 3.46Å; E1508-T1550 PolarHBondContact OE1-OG1 2.93Å |
| 1509 | N | 66.1 | Low | 73.5 | Confident | 61 Ų | 61 | 38.3 Ų | 38.3 | 33% | 0.326 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -64.2 | 84.1 | -171.7 | -177.4 | 11.9 | 0 | 0 | 0 | 112.6 | D1531 Y1532 | N1509-D1531 WeakPolarHBondContact O-CA 3.31Å; N1509-D1531 PolarHBondContact O-N 3.47Å; N1509-Y1532 PolarHBondContact O-N 2.92Å; N1509-Y1532 VanDerWaalsContact OD1-CE2 3.22Å; N1509-Y1532 WeakPolarHBondContact OD1-CE2 3.48Å |
| 1510 | N | 59.8 | Low | 73.7 | Confident | 21 Ų | 21 | 38.4 Ų | 38.4 | 11% | 0.112 | 21% | 0.206 | C | C | . | . | trans | -151 | -7.9 | -164.5 | -120.4 | -0.9 | 0 | 0 | 0 | 113.9 | E1508 Y1512 G1513 V1515 T1529 S1530 | E1508-N1510 VanDerWaalsContact C-N 3.33Å; E1508-N1510 WeakPolarHBondContact O-CB 3.22Å; E1508-N1510 PolarHBondContact O-N 2.02Å; N1510-Y1512 PolarHBondContact O-N 2.89Å; N1510-G1513 PolarHBondContact O-N 2.54Å; N1510-V1515 HydrophobicContact CB-CG2 4.12Å; N1510-V1515 WeakPolarHBondContact ND2-CG2 3.39Å; N1510-T1529 PolarHBondContact ND2-O 3.49Å; N1510-S1530 WeakPolarHBondContact ND2-CA 3.14Å; N1510-S1530 VanDerWaalsContact OD1-CA 3.3Å; N1510-S1530 WeakPolarHBondContact OD1-CA 3.23Å | ||
| 1511 | K | 56.5 | Low | 73.8 | Confident | 13 Ų | 13 | 33.6 Ų | 33.6 | 6% | 0.057 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -41.8 | 123.2 | -177.8 | -115.4 | 179.8 | -150.4 | 125.2 | 0 | 110.3 | E1081 E1087 D1485 G1513 | E1081-K1511 HydrophobicContact CG-CD 4.17Å; E1081-K1511 WeakPolarHBondContact O-CD 3.41Å; E1081-K1511 IonicContact OE1-NZ 3.59Å; E1081-K1511 PolarHBondContact OE1-NZ 3.46Å; E1087-K1511 VanDerWaalsContact OE2-CE 3.26Å; E1087-K1511 WeakPolarHBondContact OE2-CE 3.4Å; D1485-K1511 HydrophobicContact CB-CD 4.42Å; D1485-K1511 HydrophobicContact CB-CG 3.69Å; D1485-K1511 WeakPolarHBondContact O-CE 3.37Å; K1511-G1513 PolarHBondContact O-N 2.84Å |
| 1512 | Y | 57.8 | Low | 73.8 | Confident | 20 Ų | 20 | 37.8 Ų | 37.8 | 8% | 0.078 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | -7.4 | -177.4 | -35.3 | -75.5 | 0 | 0 | 0 | 118.3 | G1082 D1083 E1087 D1485 N1510 | G1082-Y1512 VanDerWaalsContact C-CD2 3.41Å; D1083-Y1512 HydrophobicContact CB-CD1 4.4Å; D1083-Y1512 HydrophobicContact CB-CD2 3.78Å; D1083-Y1512 HydrophobicContact CB-CG 3.52Å; D1083-Y1512 VanDerWaalsContact CG-CD1 3.46Å; D1083-Y1512 WeakPolarHBondContact OD1-CD1 2.93Å; D1083-Y1512 VanDerWaalsContact OD1-CG 3.29Å; D1083-Y1512 VanDerWaalsContact OD2-CB 3.26Å; D1083-Y1512 WeakPolarHBondContact OD2-CB 3.21Å; D1083-Y1512 WeakPolarHBondContact OD2-CD1 3.01Å; D1083-Y1512 VanDerWaalsContact OD2-CG 3.28Å; E1087-Y1512 WeakPolarHBondContact CA-OH 3.44Å; E1087-Y1512 HydrophobicContact CB-CE1 3.57Å; E1087-Y1512 VanDerWaalsContact CB-CZ 3.44Å; E1087-Y1512 WeakPolarHBondContact CB-OH 3.37Å; E1087-Y1512 WeakPolarHBondContact CG-OH 3.01Å; E1087-Y1512 WeakPolarHBondContact O-CE2 3.41Å; E1087-Y1512 PolarHBondContact O-OH 2.84Å; E1087-Y1512 PolarHBondContact OE2-OH 2.81Å; D1485-Y1512 HydrophobicContact CB-CE1 4.31Å; D1485-Y1512 WeakPolarHBondContact OD1-CE1 3.38Å; D1485-Y1512 PolarHBondContact OD1-N 2.87Å; D1485-Y1512 VanDerWaalsContact OD1-N 3.11Å; D1485-Y1512 WeakPolarHBondContact OD2-CE1 3.43Å; N1510-Y1512 PolarHBondContact O-N 2.89Å |
| 1513 | G | 64.2 | Low | 73.8 | Confident | 10 Ų | 10 | 36 Ų | 36 | 10% | 0.103 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -58.2 | 150.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | N1510 K1511 V1515 | N1510-G1513 PolarHBondContact O-N 2.54Å; K1511-G1513 PolarHBondContact O-N 2.84Å; G1513-V1515 PolarHBondContact O-N 2.93Å |
| 1514 | R | 74.9 | Confident | 74 | Confident | 58 Ų | 58 | 34 Ų | 34 | 22% | 0.219 | 19% | 0.188 | C | C | . | . | trans | -65.9 | 87.9 | 169.1 | -175.8 | 178 | 179.3 | -166.3 | 4.1 | 109.3 | R1562 N1563 A1612 F1723 | R1514-R1562 PolarHBondContact O-NH1 3.36Å; R1514-R1562 VanDerWaalsContact O-NH1 3.08Å; R1514-N1563 PolarHBondContact NH2-OD1 3.17Å; R1514-A1612 PolarHBondContact NH2-O 2.85Å; R1514-F1723 HydrophobicContact CG-CD2 3.9Å; R1514-F1723 HydrophobicContact CG-CE2 4.26Å; R1514-F1723 HydrophobicContact CG-CG 4.39Å | ||
| 1515 | V | 79.8 | Confident | 74.7 | Confident | 13 Ų | 13 | 35 Ų | 35 | 8% | 0.079 | 19% | 0.192 | C | C | . | . | trans | -73.7 | 138.5 | 172.7 | -176 | 0 | 0 | 0 | 0 | 109 | T1483 N1510 G1513 | T1483-V1515 HydrophobicContact CG2-CB 4.29Å; T1483-V1515 HydrophobicContact CG2-CG1 3.86Å; N1510-V1515 HydrophobicContact CB-CG2 4.12Å; N1510-V1515 WeakPolarHBondContact ND2-CG2 3.39Å; G1513-V1515 PolarHBondContact O-N 2.93Å | ||
| 1516 | S | 88.2 | Confident | 75.5 | Confident | 19 Ų | 19 | 33.6 Ų | 33.6 | 13% | 0.133 | 19% | 0.185 | C | C | . | . | trans | -113.9 | 137.6 | 165.7 | -172.3 | 0 | 0 | 0 | 0 | 109 | Y1528 T1529 L1564 | S1516-Y1528 WeakPolarHBondContact O-CA 3.35Å; S1516-Y1528 WeakPolarHBondContact O-CB 3.3Å; S1516-T1529 PolarHBondContact N-OG1 2.99Å; S1516-T1529 PolarHBondContact O-N 2.81Å; S1516-L1564 PolarHBondContact OG-N 3.18Å | ||
| 1517 | M | 89.4 | Confident | 76.8 | Confident | 10 Ų | 10 | 29 Ų | 29 | 5% | 0.049 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 130.6 | -175.3 | 177.8 | 171.9 | 66 | 0 | 0 | 110.4 | L1481 T1483 I1488 I1526 I1527 A1764 | L1481-M1517 HydrophobicContact CB-CE 3.87Å; L1481-M1517 HydrophobicContact CB-SD 4.36Å; L1481-M1517 WeakPolarHBondContact O-CE 3.46Å; T1483-M1517 HydrophobicContact CG2-CE 3.96Å; T1483-M1517 HydrophobicContact CG2-SD 4.2Å; I1488-M1517 HydrophobicContact CD1-SD 4.17Å; I1488-M1517 HydrophobicContact CG2-SD 4.16Å; M1517-I1526 HydrophobicContact SD-CD1 4.14Å; M1517-I1527 CarbonylContact C-O 3.42Å; M1517-I1527 WeakPolarHBondContact CA-O 3.41Å; M1517-A1764 HydrophobicContact CB-CB 4.11Å |
| 1518 | V | 89.8 | Confident | 78.3 | Confident | 23 Ų | 23 | 27.7 Ų | 27.7 | 14% | 0.139 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 142.4 | 178 | -66.8 | 0 | 0 | 0 | 0 | 111.6 | I1526 I1527 L1564 V1566 | V1518-I1526 WeakPolarHBondContact O-CA 3.41Å; V1518-I1527 HydrophobicContact CG2-CB 4.14Å; V1518-I1527 HydrophobicContact CG2-CD1 4.48Å; V1518-I1527 PolarHBondContact N-O 2.83Å; V1518-I1527 PolarHBondContact O-N 3.43Å; V1518-L1564 HydrophobicContact CG1-CB 4.13Å; V1518-L1564 VanDerWaalsContact CG1-O 3.26Å; V1518-L1564 WeakPolarHBondContact CG1-O 3.19Å; V1518-L1564 HydrophobicContact CG2-CB 3.96Å; V1518-V1566 HydrophobicContact CB-CG1 4.23Å; V1518-V1566 HydrophobicContact CG2-CB 4.17Å; V1518-V1566 HydrophobicContact CG2-CG1 4.12Å |
| 1519 | G | 87.7 | Confident | 79.4 | Confident | 21 Ų | 21 | 25.9 Ų | 25.9 | 22% | 0.216 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 128.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | S1766 | G1519-S1766 PolarHBondContact N-OG 3.34Å; G1519-S1766 VanDerWaalsContact N-OG 3.14Å |
| 1520 | D | 88.2 | Confident | 80.3 | Confident | 9 Ų | 9 | 23 Ų | 23 | 5% | 0.048 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 101.8 | 164.1 | 178.2 | 6.2 | 0 | 0 | 0 | 109.4 | N1522 S1523 Q1524 R1525 I1527 V1566 S1568 | D1520-N1522 PolarHBondContact O-N 3.41Å; D1520-N1522 WeakPolarHBondContact OD1-CB 3.45Å; D1520-N1522 PolarHBondContact OD1-N 3.31Å; D1520-S1523 PolarHBondContact OD1-N 3.16Å; D1520-S1523 VanDerWaalsContact OD2-CB 3.28Å; D1520-S1523 WeakPolarHBondContact OD2-CB 3.47Å; D1520-S1523 PolarHBondContact OD2-OG 3.4Å; D1520-Q1524 VanDerWaalsContact O-CA 3.32Å; D1520-Q1524 WeakPolarHBondContact O-CA 3Å; D1520-Q1524 PolarHBondContact O-N 2.04Å; D1520-R1525 PolarHBondContact N-O 3.26Å; D1520-R1525 PolarHBondContact O-N 3.22Å; D1520-R1525 VanDerWaalsContact O-N 3.12Å; D1520-I1527 HydrophobicContact CB-CD1 4.04Å; D1520-V1566 HydrophobicContact CB-CG2 4.17Å; D1520-S1568 WeakPolarHBondContact OD1-CA 3.49Å; D1520-S1568 VanDerWaalsContact OD1-CB 3.31Å; D1520-S1568 WeakPolarHBondContact OD1-CB 3.42Å |
| 1521 | C | 83.6 | Confident | 81.2 | Confident | 27 Ų | 27 | 23.9 Ų | 23.9 | 18% | 0.182 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -22.8 | 178.5 | 62.7 | 0 | 0 | 0 | 0 | 113.8 | Q1524 G1769 C1771 | C1521-Q1524 PolarHBondContact O-NE2 3.32Å; C1521-G1769 VanDerWaalsContact CB-O 3.29Å; C1521-G1769 WeakPolarHBondContact CB-O 3.4Å; C1521-C1771 HydrophobicContact CB-CB 4.07Å; C1521-C1771 WeakPolarHBondContact CB-SG 3.31Å; C1521-C1771 WeakPolarHBondContact SG-CA 3.08Å; C1521-C1771 WeakPolarHBondContact SG-CB 3.49Å; C1521-C1771 CovalentContact SG-SG 2.05Å; C1521-C1771 PolarHBondContact SG-SG 3.44Å |
| 1522 | N | 81.9 | Confident | 82.2 | Confident | 98 Ų | 98 | 26.9 Ų | 26.9 | 52% | 0.524 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -42.1 | -173.1 | -173.1 | 20.4 | 0 | 0 | 0 | 110.8 | D1520 S1568 C1771 | D1520-N1522 PolarHBondContact O-N 3.41Å; D1520-N1522 WeakPolarHBondContact OD1-CB 3.45Å; D1520-N1522 PolarHBondContact OD1-N 3.31Å; N1522-S1568 WeakPolarHBondContact CB-O 3.48Å; N1522-S1568 PolarHBondContact ND2-O 3.26Å; N1522-C1771 PolarHBondContact N-SG 3.3Å |
| 1523 | S | 79.4 | Confident | 83.3 | Confident | 37 Ų | 37 | 25.9 Ų | 25.9 | 26% | 0.259 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | -3.8 | 173.6 | 70.9 | 0 | 0 | 0 | 0 | 114.3 | D1520 R1525 | D1520-S1523 PolarHBondContact OD1-N 3.16Å; D1520-S1523 VanDerWaalsContact OD2-CB 3.28Å; D1520-S1523 WeakPolarHBondContact OD2-CB 3.47Å; D1520-S1523 PolarHBondContact OD2-OG 3.4Å; S1523-R1525 VanDerWaalsContact C-N 3.3Å; S1523-R1525 PolarHBondContact O-N 3.11Å; S1523-R1525 WeakPolarHBondContact OG-CB 3.43Å; S1523-R1525 WeakPolarHBondContact OG-CD 3.04Å; S1523-R1525 VanDerWaalsContact OG-CG 3.28Å; S1523-R1525 WeakPolarHBondContact OG-CG 3.41Å |
| 1524 | Q | 81 | Confident | 84.3 | Confident | 51 Ų | 51 | 28.2 Ų | 28.2 | 24% | 0.238 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53 | 46.3 | -173.5 | -68 | -71 | -51.6 | 0 | 0 | 111.9 | D1520 C1521 S1541 L1768 G1769 | D1520-Q1524 VanDerWaalsContact O-CA 3.32Å; D1520-Q1524 WeakPolarHBondContact O-CA 3Å; D1520-Q1524 PolarHBondContact O-N 2.04Å; C1521-Q1524 PolarHBondContact O-NE2 3.32Å; Q1524-S1541 WeakPolarHBondContact O-CB 3.2Å; Q1524-S1541 PolarHBondContact O-N 3.37Å; Q1524-L1768 VanDerWaalsContact OE1-CD2 3.3Å; Q1524-G1769 PolarHBondContact NE2-O 2.86Å; Q1524-G1769 VanDerWaalsContact NE2-O 3.17Å |
| 1525 | R | 83.5 | Confident | 84.9 | Confident | 47 Ų | 47 | 25.6 Ų | 25.6 | 18% | 0.177 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 159.4 | -178.9 | -66.1 | 174.6 | -170.1 | -176.1 | 8 | 111 | D1520 S1523 W1538 G1539 N1589 | D1520-R1525 PolarHBondContact N-O 3.26Å; D1520-R1525 PolarHBondContact O-N 3.22Å; D1520-R1525 VanDerWaalsContact O-N 3.12Å; S1523-R1525 VanDerWaalsContact C-N 3.3Å; S1523-R1525 PolarHBondContact O-N 3.11Å; S1523-R1525 WeakPolarHBondContact OG-CB 3.43Å; S1523-R1525 WeakPolarHBondContact OG-CD 3.04Å; S1523-R1525 VanDerWaalsContact OG-CG 3.28Å; S1523-R1525 WeakPolarHBondContact OG-CG 3.41Å; R1525-W1538 HydrophobicContact CB-CE3 4.35Å; R1525-W1538 VanDerWaalsContact CD-CZ3 3.49Å; R1525-W1538 HydrophobicContact CG-CE3 3.78Å; R1525-W1538 HydrophobicContact CG-CZ3 3.91Å; R1525-G1539 VanDerWaalsContact CA-O 3.25Å; R1525-G1539 WeakPolarHBondContact CA-O 3.42Å; R1525-G1539 WeakPolarHBondContact CB-O 3.48Å; R1525-N1589 PolarHBondContact NH1-OD1 3.17Å; R1525-N1589 PolarHBondContact NH2-OD1 2.97Å |
| 1526 | I | 87.7 | Confident | 85.3 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 148.7 | 164 | 80.1 | 166.3 | 0 | 0 | 0 | 108.7 | L1481 I1488 W1504 M1517 V1518 Y1528 W1538 G1539 L1768 | L1481-I1526 HydrophobicContact CD1-CG2 3.53Å; I1488-I1526 HydrophobicContact CD1-CD1 3.51Å; I1488-I1526 HydrophobicContact CG2-CD1 4.3Å; W1504-I1526 HydrophobicContact CE3-CD1 4.17Å; W1504-I1526 HydrophobicContact CH2-CD1 3.44Å; W1504-I1526 VanDerWaalsContact CH2-CD1 3.44Å; W1504-I1526 HydrophobicContact CH2-CG1 3.62Å; W1504-I1526 HydrophobicContact CH2-CG2 4.23Å; W1504-I1526 HydrophobicContact CZ2-CD1 4.49Å; W1504-I1526 HydrophobicContact CZ3-CD1 3.25Å; W1504-I1526 HydrophobicContact CZ3-CG1 3.93Å; M1517-I1526 HydrophobicContact SD-CD1 4.14Å; V1518-I1526 WeakPolarHBondContact O-CA 3.41Å; I1526-Y1528 HydrophobicContact CD1-CD1 3.84Å; I1526-Y1528 HydrophobicContact CD1-CE1 4.16Å; I1526-Y1528 HydrophobicContact CG1-CD1 4.04Å; I1526-Y1528 HydrophobicContact CG1-CE1 4.38Å; I1526-W1538 WeakPolarHBondContact O-CA 3.15Å; I1526-W1538 VanDerWaalsContact O-CB 3.26Å; I1526-W1538 WeakPolarHBondContact O-CB 3.01Å; I1526-G1539 PolarHBondContact N-O 3.26Å; I1526-G1539 PolarHBondContact O-N 3.32Å; I1526-G1539 VanDerWaalsContact O-N 3.08Å; I1526-L1768 HydrophobicContact CG2-CD1 4.31Å |
| 1527 | I | 89.5 | Confident | 85.3 | Confident | 3 Ų | 3 | 25.4 Ų | 25.4 | 2% | 0.015 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 130.8 | 172.9 | -52.3 | 91.5 | 0 | 0 | 0 | 107.3 | M1517 V1518 D1520 I1536 R1537 W1538 I1553 L1564 V1566 V1573 P1588 | M1517-I1527 CarbonylContact C-O 3.42Å; M1517-I1527 WeakPolarHBondContact CA-O 3.41Å; V1518-I1527 HydrophobicContact CG2-CB 4.14Å; V1518-I1527 HydrophobicContact CG2-CD1 4.48Å; V1518-I1527 PolarHBondContact N-O 2.83Å; V1518-I1527 PolarHBondContact O-N 3.43Å; D1520-I1527 HydrophobicContact CB-CD1 4.04Å; I1527-I1536 HydrophobicContact CG2-CG2 3.67Å; I1527-R1537 WeakPolarHBondContact CA-O 3.34Å; I1527-R1537 WeakPolarHBondContact CG2-O 3.37Å; I1527-W1538 HydrophobicContact CG1-CB 4.25Å; I1527-I1553 HydrophobicContact CG2-CD1 4.18Å; I1527-L1564 HydrophobicContact CG2-CD1 4.22Å; I1527-V1566 HydrophobicContact CD1-CG2 4.44Å; I1527-V1573 HydrophobicContact CD1-CG2 4.28Å; I1527-V1573 HydrophobicContact CG1-CG2 4.08Å; I1527-V1573 HydrophobicContact CG2-CG1 4.29Å; I1527-V1573 HydrophobicContact CG2-CG2 4.35Å; I1527-P1588 HydrophobicContact CG1-CG 4.48Å |
| 1528 | Y | 89.9 | Confident | 85.2 | Confident | 3 Ų | 3 | 27.2 Ų | 27.2 | 1% | 0.012 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 158.2 | -178.1 | 65.8 | -82.1 | 0 | 0 | 0 | 112.1 | I1488 N1505 E1508 S1516 I1526 R1537 T1550 | I1488-Y1528 HydrophobicContact CD1-CD1 3.73Å; I1488-Y1528 HydrophobicContact CD1-CD2 4.13Å; I1488-Y1528 HydrophobicContact CD1-CE1 3.73Å; I1488-Y1528 HydrophobicContact CD1-CE2 4.13Å; I1488-Y1528 HydrophobicContact CD1-CG 3.95Å; N1505-Y1528 PolarHBondContact ND2-OH 2.79Å; E1508-Y1528 PolarHBondContact OE1-OH 3.35Å; E1508-Y1528 WeakPolarHBondContact OE2-CE2 3.23Å; E1508-Y1528 VanDerWaalsContact OE2-CZ 3.27Å; E1508-Y1528 PolarHBondContact OE2-OH 2.98Å; S1516-Y1528 WeakPolarHBondContact O-CA 3.35Å; S1516-Y1528 WeakPolarHBondContact O-CB 3.3Å; I1526-Y1528 HydrophobicContact CD1-CD1 3.84Å; I1526-Y1528 HydrophobicContact CD1-CE1 4.16Å; I1526-Y1528 HydrophobicContact CG1-CD1 4.04Å; I1526-Y1528 HydrophobicContact CG1-CE1 4.38Å; Y1528-R1537 HydrophobicContact CD1-CB 4.46Å; Y1528-R1537 HydrophobicContact CE1-CB 3.89Å; Y1528-R1537 HydrophobicContact CE2-CB 4.04Å; Y1528-R1537 PolarHBondContact N-O 2.71Å; Y1528-R1537 PolarHBondContact O-N 2.59Å; Y1528-R1537 WeakPolarHBondContact OH-CD 3.02Å; Y1528-T1550 HydrophobicContact CE1-CG2 4.45Å; Y1528-T1550 WeakPolarHBondContact OH-CG2 3.07Å |
| 1529 | T | 89.3 | Confident | 84.5 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 139.9 | 175.5 | 55.4 | 0 | 0 | 0 | 0 | 111.2 | N1510 S1516 T1535 F1561 L1564 | N1510-T1529 PolarHBondContact ND2-O 3.49Å; S1516-T1529 PolarHBondContact N-OG1 2.99Å; S1516-T1529 PolarHBondContact O-N 2.81Å; T1529-T1535 CarbonylContact C-O 3.52Å; T1529-T1535 VanDerWaalsContact CA-O 3.3Å; T1529-T1535 WeakPolarHBondContact CA-O 3.15Å; T1529-F1561 HydrophobicContact CG2-CB 4.1Å; T1529-L1564 HydrophobicContact CG2-CD1 4.03Å; T1529-L1564 HydrophobicContact CG2-CD2 4.24Å; T1529-L1564 HydrophobicContact CG2-CG 4.11Å |
| 1530 | S | 84.5 | Confident | 83.9 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 176.6 | 166.9 | 74 | 0 | 0 | 0 | 0 | 112.8 | N1510 G1533 H1534 T1535 R1537 | N1510-S1530 WeakPolarHBondContact ND2-CA 3.14Å; N1510-S1530 VanDerWaalsContact OD1-CA 3.3Å; N1510-S1530 WeakPolarHBondContact OD1-CA 3.23Å; S1530-G1533 CarbonylContact O-C 3.4Å; S1530-G1533 WeakPolarHBondContact O-CA 2.92Å; S1530-G1533 PolarHBondContact O-N 3.08Å; S1530-H1534 PolarHBondContact O-N 2.8Å; S1530-T1535 PolarHBondContact N-O 3.39Å; S1530-T1535 PolarHBondContact O-N 2.82Å; S1530-T1535 WeakPolarHBondContact OG-CB 3.43Å; S1530-T1535 WeakPolarHBondContact OG-CG2 3.11Å; S1530-R1537 WeakPolarHBondContact OG-CD 3.35Å; S1530-R1537 PolarHBondContact OG-NE 3Å |
| 1531 | D | 78 | Confident | 82.7 | Confident | 40 Ų | 40 | 27.5 Ų | 27.5 | 21% | 0.214 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | 59.6 | 52.2 | 174.4 | -51.1 | -73.4 | 0 | 0 | 0 | 111.1 | N1509 G1533 H1534 T1535 R1537 | N1509-D1531 WeakPolarHBondContact O-CA 3.31Å; N1509-D1531 PolarHBondContact O-N 3.47Å; D1531-G1533 PolarHBondContact O-N 2.75Å; D1531-H1534 HydrophobicContact CB-CB 4.21Å; D1531-H1534 VanDerWaalsContact O-CB 3.26Å; D1531-H1534 WeakPolarHBondContact O-CB 3.29Å; D1531-H1534 PolarHBondContact O-CD2 3.07Å; D1531-H1534 PolarHBondContact O-N 3.22Å; D1531-T1535 WeakPolarHBondContact OD2-CB 3.07Å; D1531-T1535 PolarHBondContact OD2-OG1 2.83Å; D1531-R1537 IonicContact OD2-NH2 3.65Å |
| 1532 | Y | 77.2 | Confident | 81.6 | Confident | 75 Ų | 75 | 30.2 Ų | 30.2 | 29% | 0.294 | 15% | 0.148 | S | C | . | . | G | 310 helix | trans | 56.4 | 11.5 | -172.9 | -64.6 | -84.7 | 0 | 0 | 0 | 116.1 | N1509 R1560 R1562 | N1509-Y1532 PolarHBondContact O-N 2.92Å; N1509-Y1532 VanDerWaalsContact OD1-CE2 3.22Å; N1509-Y1532 WeakPolarHBondContact OD1-CE2 3.48Å; Y1532-R1560 PolarHBondContact O-NE 2.84Å; Y1532-R1562 PolarHBondContact O-NH1 2.8Å; Y1532-R1562 PolarHBondContact O-NH2 3.09Å |
| 1533 | G | 82.1 | Confident | 80.2 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | 113.8 | -6.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114 | S1530 D1531 T1535 F1561 | S1530-G1533 CarbonylContact O-C 3.4Å; S1530-G1533 WeakPolarHBondContact O-CA 2.92Å; S1530-G1533 PolarHBondContact O-N 3.08Å; D1531-G1533 PolarHBondContact O-N 2.75Å; G1533-T1535 VanDerWaalsContact C-N 3.27Å; G1533-T1535 PolarHBondContact O-N 3.22Å; G1533-F1561 VanDerWaalsContact O-CD2 3.28Å; G1533-F1561 WeakPolarHBondContact O-CD2 3.46Å; G1533-F1561 PolarHBondContact O-N 2.95Å |
| 1534 | H | 85.8 | Confident | 78.7 | Confident | 58 Ų | 58 | 33.7 Ų | 33.7 | 27% | 0.269 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -15.2 | -178 | -72.5 | -57.9 | 0 | 0 | 0 | 114.7 | S1530 D1531 T1555 S1556 N1559 | S1530-H1534 PolarHBondContact O-N 2.8Å; D1531-H1534 HydrophobicContact CB-CB 4.21Å; D1531-H1534 VanDerWaalsContact O-CB 3.26Å; D1531-H1534 WeakPolarHBondContact O-CB 3.29Å; D1531-H1534 PolarHBondContact O-CD2 3.07Å; D1531-H1534 PolarHBondContact O-N 3.22Å; H1534-T1555 WeakPolarHBondContact O-CA 2.96Å; H1534-S1556 VanDerWaalsContact CB-O 3.29Å; H1534-S1556 WeakPolarHBondContact CB-O 3.4Å; H1534-S1556 PolarHBondContact ND1-O 2.04Å; H1534-S1556 PolarHBondContact O-N 3.11Å; H1534-N1559 PolarHBondContact ND1-O 3.48Å |
| 1535 | T | 86.9 | Confident | 77.1 | Confident | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.018 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 148.3 | -178.2 | -55.9 | 0 | 0 | 0 | 0 | 110.7 | T1529 S1530 D1531 G1533 R1537 E1552 Y1554 T1555 | T1529-T1535 CarbonylContact C-O 3.52Å; T1529-T1535 VanDerWaalsContact CA-O 3.3Å; T1529-T1535 WeakPolarHBondContact CA-O 3.15Å; S1530-T1535 PolarHBondContact N-O 3.39Å; S1530-T1535 PolarHBondContact O-N 2.82Å; S1530-T1535 WeakPolarHBondContact OG-CB 3.43Å; S1530-T1535 WeakPolarHBondContact OG-CG2 3.11Å; D1531-T1535 WeakPolarHBondContact OD2-CB 3.07Å; D1531-T1535 PolarHBondContact OD2-OG1 2.83Å; G1533-T1535 VanDerWaalsContact C-N 3.27Å; G1533-T1535 PolarHBondContact O-N 3.22Å; T1535-R1537 HydrophobicContact CG2-CG 3.92Å; T1535-E1552 HydrophobicContact CG2-CG 4.03Å; T1535-Y1554 CarbonylContact C-O 3.48Å; T1535-Y1554 VanDerWaalsContact CA-O 3.3Å; T1535-Y1554 WeakPolarHBondContact CA-O 3.02Å; T1535-T1555 WeakPolarHBondContact OG1-CG2 3.2Å |
| 1536 | I | 88.4 | Confident | 75.4 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 128.4 | 166.9 | -50 | 177.9 | 0 | 0 | 0 | 109.1 | I1527 I1553 Y1554 F1561 L1564 A1575 M1584 F1586 | I1527-I1536 HydrophobicContact CG2-CG2 3.67Å; I1536-I1553 HydrophobicContact CG2-CD1 4.27Å; I1536-I1553 PolarHBondContact O-N 3Å; I1536-Y1554 PolarHBondContact N-O 2.9Å; I1536-Y1554 PolarHBondContact O-N 2.74Å; I1536-F1561 HydrophobicContact CD1-CB 4.15Å; I1536-F1561 HydrophobicContact CD1-CD1 4.12Å; I1536-F1561 HydrophobicContact CD1-CD2 3.89Å; I1536-F1561 HydrophobicContact CD1-CE2 4.38Å; I1536-F1561 HydrophobicContact CD1-CG 3.76Å; I1536-F1561 HydrophobicContact CG1-CB 4.23Å; I1536-F1561 HydrophobicContact CG1-CD2 3.8Å; I1536-F1561 HydrophobicContact CG1-CE2 4.46Å; I1536-F1561 HydrophobicContact CG1-CG 4.04Å; I1536-L1564 HydrophobicContact CD1-CD2 4.33Å; I1536-A1575 HydrophobicContact CD1-CB 4.05Å; I1536-M1584 HydrophobicContact CD1-CE 4.41Å; I1536-F1586 HydrophobicContact CD1-CE1 3.63Å; I1536-F1586 HydrophobicContact CD1-CZ 3.6Å; I1536-F1586 HydrophobicContact CG2-CE2 4.49Å; I1536-F1586 HydrophobicContact CG2-CZ 3.99Å |
| 1537 | R | 87.8 | Confident | 73.8 | Confident | 29 Ų | 29 | 50.1 Ų | 50.1 | 11% | 0.109 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 160 | -178.3 | -64 | 179.4 | -178.9 | -100.3 | -18.1 | 111.3 | E1508 I1527 Y1528 S1530 D1531 T1535 K1551 E1552 | E1508-R1537 VanDerWaalsContact OE1-CD 3.29Å; E1508-R1537 WeakPolarHBondContact OE1-CD 3.21Å; E1508-R1537 IonicContact OE1-CZ 3.71Å; E1508-R1537 IonicContact OE1-NE 2.71Å; E1508-R1537 PolarHBondContact OE1-NE 3.21Å; E1508-R1537 IonicContact OE1-NH1 3.72Å; E1508-R1537 PolarHBondContact OE1-NH1 3.14Å; E1508-R1537 WeakPolarHBondContact OE2-CD 3.18Å; E1508-R1537 IonicContact OE2-NE 3.52Å; E1508-R1537 PolarHBondContact OE2-NE 3.46Å; I1527-R1537 WeakPolarHBondContact CA-O 3.34Å; I1527-R1537 WeakPolarHBondContact CG2-O 3.37Å; Y1528-R1537 HydrophobicContact CD1-CB 4.46Å; Y1528-R1537 HydrophobicContact CE1-CB 3.89Å; Y1528-R1537 HydrophobicContact CE2-CB 4.04Å; Y1528-R1537 PolarHBondContact N-O 2.71Å; Y1528-R1537 PolarHBondContact O-N 2.59Å; Y1528-R1537 WeakPolarHBondContact OH-CD 3.02Å; S1530-R1537 WeakPolarHBondContact OG-CD 3.35Å; S1530-R1537 PolarHBondContact OG-NE 3Å; D1531-R1537 IonicContact OD2-NH2 3.65Å; T1535-R1537 HydrophobicContact CG2-CG 3.92Å; R1537-K1551 WeakPolarHBondContact CA-O 3.04Å; R1537-E1552 HydrophobicContact CG-CG 4.24Å; R1537-E1552 IonicContact CZ-OE1 3.97Å; R1537-E1552 IonicContact NH1-OE1 2.95Å; R1537-E1552 PolarHBondContact NH1-OE1 3.45Å; R1537-E1552 IonicContact NH2-OE1 2.82Å; R1537-E1552 PolarHBondContact NH2-OE1 2.8Å |
| 1538 | W | 86.3 | Confident | 72.1 | Confident | 47 Ų | 47 | 51.1 Ų | 51.1 | 18% | 0.178 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 160.7 | 163.9 | 70.9 | -72.8 | 0 | 0 | 0 | 112.4 | R1525 I1526 I1527 N1540 T1550 K1551 I1553 | R1525-W1538 HydrophobicContact CB-CE3 4.35Å; R1525-W1538 VanDerWaalsContact CD-CZ3 3.49Å; R1525-W1538 HydrophobicContact CG-CE3 3.78Å; R1525-W1538 HydrophobicContact CG-CZ3 3.91Å; I1526-W1538 WeakPolarHBondContact O-CA 3.15Å; I1526-W1538 VanDerWaalsContact O-CB 3.26Å; I1526-W1538 WeakPolarHBondContact O-CB 3.01Å; I1527-W1538 HydrophobicContact CG1-CB 4.25Å; W1538-N1540 HydrophobicContact CZ3-CB 4.16Å; W1538-T1550 CarbonylContact O-C 3.6Å; W1538-T1550 VanDerWaalsContact O-CA 3.28Å; W1538-T1550 WeakPolarHBondContact O-CA 3.45Å; W1538-K1551 VanDerWaalsContact CD1-O 3.31Å; W1538-K1551 PolarHBondContact N-O 2.04Å; W1538-K1551 PolarHBondContact O-N 3.04Å; W1538-I1553 HydrophobicContact CB-CD1 4.12Å; W1538-I1553 VanDerWaalsContact CD1-CG1 3.45Å; W1538-I1553 HydrophobicContact CG-CD1 4.28Å; W1538-I1553 HydrophobicContact CG-CG1 4.34Å |
| 1539 | G | 76.5 | Confident | 70.7 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 147.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | R1525 I1526 L1548 | R1525-G1539 VanDerWaalsContact CA-O 3.25Å; R1525-G1539 WeakPolarHBondContact CA-O 3.42Å; R1525-G1539 WeakPolarHBondContact CB-O 3.48Å; I1526-G1539 PolarHBondContact N-O 3.26Å; I1526-G1539 PolarHBondContact O-N 3.32Å; I1526-G1539 VanDerWaalsContact O-N 3.08Å; G1539-L1548 VanDerWaalsContact CA-CD2 3.5Å |
| 1540 | N | 74.7 | Confident | 70 | Confident | 44 Ų | 44 | 58 Ų | 58 | 24% | 0.235 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 133.6 | 171.3 | -171.7 | -11 | 0 | 0 | 0 | 109.3 | W1538 N1542 L1548 | W1538-N1540 HydrophobicContact CZ3-CB 4.16Å; N1540-N1542 PolarHBondContact OD1-N 2.89Å; N1540-N1542 VanDerWaalsContact OD1-N 3.08Å; N1540-N1542 PolarHBondContact OD1-ND2 3.5Å; N1540-L1548 WeakPolarHBondContact O-CD1 3.46Å |
| 1541 | S | 62.9 | Low | 69.7 | Low | 15 Ų | 15 | 63.7 Ų | 63.7 | 11% | 0.105 | 35% | 0.345 | C | S | . | . | trans | -113.3 | 14.6 | -176.7 | -159.6 | 0 | 0 | 0 | 0 | 114.3 | W1504 Q1524 S1543 L1768 | W1504-S1541 WeakPolarHBondContact CZ2-OG 3.48Å; Q1524-S1541 WeakPolarHBondContact O-CB 3.2Å; Q1524-S1541 PolarHBondContact O-N 3.37Å; S1541-S1543 PolarHBondContact O-N 3.37Å; S1541-L1768 WeakPolarHBondContact OG-CD2 3.47Å | ||
| 1542 | N | 60.8 | Low | 69.9 | Low | 85 Ų | 85 | 66.5 Ų | 66.5 | 46% | 0.455 | 36% | 0.357 | S | S | . | . | trans | -51.1 | 130.3 | 177.9 | -78.9 | -15.4 | 0 | 0 | 0 | 112.8 | N1540 G1544 Q1545 | N1540-N1542 PolarHBondContact OD1-N 2.89Å; N1540-N1542 VanDerWaalsContact OD1-N 3.08Å; N1540-N1542 PolarHBondContact OD1-ND2 3.5Å; N1542-G1544 PolarHBondContact O-N 2.95Å; N1542-G1544 VanDerWaalsContact O-N 3.12Å; N1542-Q1545 PolarHBondContact O-N 3.06Å | ||
| 1543 | S | 51 | Low | 69.9 | Low | 133 Ų | 133 | 63.7 Ų | 63.7 | 93% | 0.93 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 112.2 | -177.6 | 46.1 | 0 | 0 | 0 | 0 | 112.2 | S1541 | S1541-S1543 PolarHBondContact O-N 3.37Š|
| 1544 | G | 49.6 | Very low | 69.8 | Low | 74 Ų | 74 | 65.8 Ų | 65.8 | 76% | 0.763 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 130.4 | -7.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | N1542 | N1542-G1544 PolarHBondContact O-N 2.95Å; N1542-G1544 VanDerWaalsContact O-N 3.12Å |
| 1545 | Q | 46.5 | Very low | 69.6 | Low | 101 Ų | 101 | 66.8 Ų | 66.8 | 47% | 0.472 | 37% | 0.365 | S | S | . | . | trans | -82.8 | 114.6 | 167.8 | -67.7 | -161.7 | -38.7 | 0 | 0 | 110.9 | N1542 K1547 | N1542-Q1545 PolarHBondContact O-N 3.06Å; Q1545-K1547 VanDerWaalsContact C-N 3.28Å; Q1545-K1547 PolarHBondContact O-N 3.02Å | ||
| 1546 | N | 48.9 | Very low | 69.2 | Low | 175 Ų | 175 | 67.6 Ų | 67.6 | 94% | 0.936 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -76.5 | -11.1 | 174.3 | -80.4 | 1.2 | 0 | 0 | 0 | 113.8 | ||
| 1547 | K | 52.7 | Low | 68.3 | Low | 168 Ų | 168 | 76 Ų | 76 | 73% | 0.73 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -156.5 | 140 | 176.9 | -161.3 | 171.8 | -173.6 | 176.5 | 0 | 109.4 | Q1545 | Q1545-K1547 VanDerWaalsContact C-N 3.28Å; Q1545-K1547 PolarHBondContact O-N 3.02Å |
| 1548 | L | 53.5 | Low | 67.6 | Low | 24 Ų | 24 | 82.2 Ų | 82.2 | 13% | 0.126 | 44% | 0.438 | C | S | . | . | trans | -84.5 | 160.1 | -172.6 | -122.1 | 89.7 | 0 | 0 | 0 | 115.1 | W1504 G1539 N1540 T1550 | W1504-L1548 HydrophobicContact CD2-CD1 3.83Å; W1504-L1548 HydrophobicContact CE3-CD1 4.13Å; W1504-L1548 HydrophobicContact CE3-CD2 4.29Å; W1504-L1548 HydrophobicContact CH2-CD1 3.64Å; W1504-L1548 HydrophobicContact CH2-CD2 3.2Å; W1504-L1548 HydrophobicContact CH2-CG 4.02Å; W1504-L1548 HydrophobicContact CZ2-CD1 3.3Å; W1504-L1548 HydrophobicContact CZ2-CD2 3.81Å; W1504-L1548 HydrophobicContact CZ2-CG 4.15Å; W1504-L1548 HydrophobicContact CZ3-CD1 4.03Å; W1504-L1548 HydrophobicContact CZ3-CD2 3.48Å; W1504-L1548 VanDerWaalsContact CZ3-CD2 3.48Å; W1504-L1548 HydrophobicContact CZ3-CG 4.31Å; G1539-L1548 VanDerWaalsContact CA-CD2 3.5Å; N1540-L1548 WeakPolarHBondContact O-CD1 3.46Å; L1548-T1550 HydrophobicContact CD2-CG2 3.74Å | ||
| 1549 | V | 61.7 | Low | 67.4 | Low | 114 Ų | 114 | 81.3 Ų | 81.3 | 69% | 0.691 | 44% | 0.437 | S | S | * | . | trans | -116.1 | 104.4 | 155.4 | -178.8 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1550 | T | 74.8 | Confident | 67.7 | Low | 32 Ų | 32 | 85.4 Ų | 85.4 | 20% | 0.196 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 158.3 | 168.8 | 55.7 | 0 | 0 | 0 | 0 | 110 | E1508 Y1528 W1538 L1548 | E1508-T1550 PolarHBondContact OE1-OG1 2.93Å; Y1528-T1550 HydrophobicContact CE1-CG2 4.45Å; Y1528-T1550 WeakPolarHBondContact OH-CG2 3.07Å; W1538-T1550 CarbonylContact O-C 3.6Å; W1538-T1550 VanDerWaalsContact O-CA 3.28Å; W1538-T1550 WeakPolarHBondContact O-CA 3.45Å; L1548-T1550 HydrophobicContact CD2-CG2 3.74Å |
| 1551 | K | 78 | Confident | 68.4 | Low | 120 Ų | 120 | 83.3 Ų | 83.3 | 52% | 0.522 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 133.4 | 176.2 | -178 | 178.6 | 176.8 | -174.1 | 0 | 111.1 | R1537 W1538 | R1537-K1551 WeakPolarHBondContact CA-O 3.04Å; W1538-K1551 VanDerWaalsContact CD1-O 3.31Å; W1538-K1551 PolarHBondContact N-O 2.04Å; W1538-K1551 PolarHBondContact O-N 3.04Å |
| 1552 | E | 81.4 | Confident | 69.5 | Low | 100 Ų | 100 | 83.4 Ų | 83.4 | 47% | 0.467 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 127.6 | 169.6 | -67.2 | 160 | -157.3 | 0 | 0 | 110.4 | T1535 R1537 | T1535-E1552 HydrophobicContact CG2-CG 4.03Å; R1537-E1552 HydrophobicContact CG-CG 4.24Å; R1537-E1552 IonicContact CZ-OE1 3.97Å; R1537-E1552 IonicContact NH1-OE1 2.95Å; R1537-E1552 PolarHBondContact NH1-OE1 3.45Å; R1537-E1552 IonicContact NH2-OE1 2.82Å; R1537-E1552 PolarHBondContact NH2-OE1 2.8Å |
| 1553 | I | 77.6 | Confident | 70.9 | Confident | 15 Ų | 15 | 80.1 Ų | 80.1 | 8% | 0.077 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | -46.2 | 172.8 | -51.8 | 175.6 | 0 | 0 | 0 | 109.3 | I1527 I1536 W1538 F1586 P1588 P1591 | I1527-I1553 HydrophobicContact CG2-CD1 4.18Å; I1536-I1553 HydrophobicContact CG2-CD1 4.27Å; I1536-I1553 PolarHBondContact O-N 3Å; W1538-I1553 HydrophobicContact CB-CD1 4.12Å; W1538-I1553 VanDerWaalsContact CD1-CG1 3.45Å; W1538-I1553 HydrophobicContact CG-CD1 4.28Å; W1538-I1553 HydrophobicContact CG-CG1 4.34Å; I1553-F1586 HydrophobicContact CD1-CE2 3.88Å; I1553-F1586 HydrophobicContact CG2-CD2 3.79Å; I1553-F1586 HydrophobicContact CG2-CE2 3.86Å; I1553-P1588 HydrophobicContact CD1-CB 3.75Å; I1553-P1588 HydrophobicContact CD1-CG 3.88Å; I1553-P1588 HydrophobicContact CG1-CB 4.46Å; I1553-P1591 HydrophobicContact CG2-CB 3.91Å; I1553-P1591 VanDerWaalsContact O-CB 3.29Å; I1553-P1591 WeakPolarHBondContact O-CB 3.21Å |
| 1554 | Y | 79.7 | Confident | 72.9 | Confident | 44 Ų | 44 | 74.1 Ų | 74.1 | 17% | 0.173 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 136.9 | -170.4 | -172.6 | -78.6 | 0 | 0 | 0 | 108.9 | T1535 I1536 N1559 F1561 M1584 | T1535-Y1554 CarbonylContact C-O 3.48Å; T1535-Y1554 VanDerWaalsContact CA-O 3.3Å; T1535-Y1554 WeakPolarHBondContact CA-O 3.02Å; I1536-Y1554 PolarHBondContact N-O 2.9Å; I1536-Y1554 PolarHBondContact O-N 2.74Å; Y1554-N1559 PolarHBondContact OH-ND2 2.73Å; Y1554-F1561 HydrophobicContact CD1-CD2 4.48Å; Y1554-F1561 AromaticContact CD1-CE2 3.42Å; Y1554-F1561 HydrophobicContact CD1-CE2 3.42Å; Y1554-F1561 VanDerWaalsContact CD1-CE2 3.42Å; Y1554-F1561 AromaticContact CD1-CZ 3.7Å; Y1554-F1561 HydrophobicContact CD1-CZ 3.7Å; Y1554-F1561 AromaticContact CE1-CE2 3.38Å; Y1554-F1561 HydrophobicContact CE1-CE2 3.38Å; Y1554-F1561 AromaticContact CE1-CZ 3.36Å; Y1554-F1561 HydrophobicContact CE1-CZ 3.36Å; Y1554-M1584 HydrophobicContact CD2-CE 4.16Å; Y1554-M1584 HydrophobicContact CE2-CE 4.23Å; Y1554-M1584 HydrophobicContact CE2-SD 4.14Å; Y1554-M1584 HydrophobicContact CG-CE 4.3Å |
| 1555 | T | 82.1 | Confident | 75 | Confident | 80 Ų | 80 | 70.9 Ų | 70.9 | 49% | 0.491 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 134 | 176.3 | -54.8 | 0 | 0 | 0 | 0 | 108.2 | H1534 T1535 | H1534-T1555 WeakPolarHBondContact O-CA 2.96Å; T1535-T1555 WeakPolarHBondContact OG1-CG2 3.2Å |
| 1556 | S | 77.4 | Confident | 77.2 | Confident | 19 Ų | 19 | 67 Ų | 67 | 13% | 0.133 | 33% | 0.329 | C | S | . | . | trans | -140 | 141.3 | 175 | 177.8 | 0 | 0 | 0 | 0 | 110.7 | H1534 F1558 N1559 | H1534-S1556 VanDerWaalsContact CB-O 3.29Å; H1534-S1556 WeakPolarHBondContact CB-O 3.4Å; H1534-S1556 PolarHBondContact ND1-O 2.04Å; H1534-S1556 PolarHBondContact O-N 3.11Å; S1556-F1558 PolarHBondContact O-N 2.02Å; S1556-F1558 PolarHBondContact OG-N 3.07Å; S1556-F1558 VanDerWaalsContact OG-N 3.15Å; S1556-N1559 PolarHBondContact OG-N 2.91Å; S1556-N1559 VanDerWaalsContact OG-N 3.1Å; S1556-N1559 PolarHBondContact OG-OD1 2.82Å | ||
| 1557 | Q | 69.6 | Low | 79.2 | Confident | 177 Ų | 177 | 58.7 Ų | 58.7 | 83% | 0.827 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -77.5 | -8.7 | 172.8 | -67.5 | -176.1 | -24.7 | 0 | 0 | 113.2 | ||
| 1558 | F | 74.7 | Confident | 80.9 | Confident | 160 Ų | 160 | 51.6 Ų | 51.6 | 70% | 0.702 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -116.8 | -45.2 | -174.6 | -54.4 | -73.8 | 0 | 0 | 0 | 112.3 | S1556 | S1556-F1558 PolarHBondContact O-N 2.02Å; S1556-F1558 PolarHBondContact OG-N 3.07Å; S1556-F1558 VanDerWaalsContact OG-N 3.15Å |
| 1559 | N | 80.8 | Confident | 82.5 | Confident | 27 Ų | 27 | 51 Ų | 51 | 14% | 0.144 | 25% | 0.252 | C | S | . | . | trans | -78.9 | 142.5 | -172.2 | -57.2 | 26 | 0 | 0 | 0 | 110.3 | H1534 Y1554 S1556 F1561 E1577 | H1534-N1559 PolarHBondContact ND1-O 3.48Å; Y1554-N1559 PolarHBondContact OH-ND2 2.73Å; S1556-N1559 PolarHBondContact OG-N 2.91Å; S1556-N1559 VanDerWaalsContact OG-N 3.1Å; S1556-N1559 PolarHBondContact OG-OD1 2.82Å; N1559-F1561 HydrophobicContact CB-CE1 4.49Å; N1559-F1561 HydrophobicContact CB-CE2 3.98Å; N1559-F1561 HydrophobicContact CB-CZ 3.76Å; N1559-E1577 WeakPolarHBondContact CA-OE1 3.24Å; N1559-E1577 HydrophobicContact CB-CG 3.88Å; N1559-E1577 WeakPolarHBondContact CB-OE1 3.48Å | ||
| 1560 | R | 83.7 | Confident | 83.7 | Confident | 87 Ų | 87 | 46.5 Ų | 46.5 | 33% | 0.328 | 23% | 0.226 | S | C | . | . | trans | -128.1 | 117.4 | -179.4 | -165.4 | -177 | -160.2 | -159.8 | 16.1 | 110.4 | Y1532 R1562 E1577 E1578 | Y1532-R1560 PolarHBondContact O-NE 2.84Å; R1560-R1562 VanDerWaalsContact NE-NH2 3.15Å; R1560-E1577 PolarHBondContact N-OE1 3.3Å; R1560-E1578 HydrophobicContact CB-CB 4.31Å; R1560-E1578 WeakPolarHBondContact CD-OE2 3.26Å; R1560-E1578 IonicContact NH1-OE1 3.62Å; R1560-E1578 IonicContact NH1-OE2 2.77Å; R1560-E1578 WeakPolarHBondContact O-CB 3.03Å; R1560-E1578 PolarHBondContact O-N 2.9Å | ||
| 1561 | F | 88.2 | Confident | 84.3 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 137.4 | -173.6 | -58.6 | -72.4 | 0 | 0 | 0 | 113.1 | T1529 G1533 I1536 Y1554 N1559 A1575 W1576 E1577 M1584 | T1529-F1561 HydrophobicContact CG2-CB 4.1Å; G1533-F1561 VanDerWaalsContact O-CD2 3.28Å; G1533-F1561 WeakPolarHBondContact O-CD2 3.46Å; G1533-F1561 PolarHBondContact O-N 2.95Å; I1536-F1561 HydrophobicContact CD1-CB 4.15Å; I1536-F1561 HydrophobicContact CD1-CD1 4.12Å; I1536-F1561 HydrophobicContact CD1-CD2 3.89Å; I1536-F1561 HydrophobicContact CD1-CE2 4.38Å; I1536-F1561 HydrophobicContact CD1-CG 3.76Å; I1536-F1561 HydrophobicContact CG1-CB 4.23Å; I1536-F1561 HydrophobicContact CG1-CD2 3.8Å; I1536-F1561 HydrophobicContact CG1-CE2 4.46Å; I1536-F1561 HydrophobicContact CG1-CG 4.04Å; Y1554-F1561 HydrophobicContact CD1-CD2 4.48Å; Y1554-F1561 AromaticContact CD1-CE2 3.42Å; Y1554-F1561 HydrophobicContact CD1-CE2 3.42Å; Y1554-F1561 VanDerWaalsContact CD1-CE2 3.42Å; Y1554-F1561 AromaticContact CD1-CZ 3.7Å; Y1554-F1561 HydrophobicContact CD1-CZ 3.7Å; Y1554-F1561 AromaticContact CE1-CE2 3.38Å; Y1554-F1561 HydrophobicContact CE1-CE2 3.38Å; Y1554-F1561 AromaticContact CE1-CZ 3.36Å; Y1554-F1561 HydrophobicContact CE1-CZ 3.36Å; N1559-F1561 HydrophobicContact CB-CE1 4.49Å; N1559-F1561 HydrophobicContact CB-CE2 3.98Å; N1559-F1561 HydrophobicContact CB-CZ 3.76Å; F1561-A1575 HydrophobicContact CD1-CB 3.9Å; F1561-W1576 CarbonylContact C-O 3.58Å; F1561-W1576 VanDerWaalsContact CA-O 3.25Å; F1561-W1576 WeakPolarHBondContact CA-O 3.48Å; F1561-E1577 HydrophobicContact CD1-CB 4.25Å; F1561-E1577 HydrophobicContact CD1-CG 4.19Å; F1561-E1577 HydrophobicContact CE1-CB 4Å; F1561-E1577 HydrophobicContact CE1-CG 3.67Å; F1561-E1577 HydrophobicContact CZ-CG 4.26Å; F1561-M1584 HydrophobicContact CD1-CE 4.29Å; F1561-M1584 HydrophobicContact CE1-CE 3.41Å; F1561-M1584 VanDerWaalsContact CE1-CE 3.41Å; F1561-M1584 HydrophobicContact CE1-SD 4.03Å; F1561-M1584 HydrophobicContact CZ-CE 3.56Å; F1561-M1584 HydrophobicContact CZ-SD 4.17Å |
| 1562 | R | 87 | Confident | 85 | Confident | 16 Ų | 16 | 39.8 Ų | 39.8 | 6% | 0.06 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 173.8 | 172.7 | -58 | -65.7 | -175.9 | -138.3 | 8.6 | 109.9 | R1514 Y1532 R1560 L1564 W1576 E1578 | R1514-R1562 PolarHBondContact O-NH1 3.36Å; R1514-R1562 VanDerWaalsContact O-NH1 3.08Å; Y1532-R1562 PolarHBondContact O-NH1 2.8Å; Y1532-R1562 PolarHBondContact O-NH2 3.09Å; R1560-R1562 VanDerWaalsContact NE-NH2 3.15Å; R1562-L1564 PolarHBondContact O-N 3.13Å; R1562-W1576 HydrophobicContact CB-CB 4.49Å; R1562-W1576 PolarHBondContact N-O 3.08Å; R1562-W1576 WeakPolarHBondContact O-CB 3.32Å; R1562-W1576 PolarHBondContact O-N 3.22Å; R1562-E1578 VanDerWaalsContact CG-OE2 3.31Å; R1562-E1578 WeakPolarHBondContact CG-OE2 3.49Å; R1562-E1578 IonicContact CZ-OE2 3.75Å; R1562-E1578 IonicContact NE-OE2 2.77Å; R1562-E1578 PolarHBondContact NE-OE2 2.83Å; R1562-E1578 VanDerWaalsContact NE-OE2 3.14Å; R1562-E1578 IonicContact NH2-OE2 3.87Å |
| 1563 | N | 89.3 | Confident | 85.5 | Confident | 17 Ų | 17 | 35 Ų | 35 | 9% | 0.091 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 44.7 | 64.8 | 166 | -61.9 | -49.4 | 0 | 0 | 0 | 113.7 | R1514 W1576 F1611 A1612 L1614 | R1514-N1563 PolarHBondContact NH2-OD1 3.17Å; N1563-W1576 HydrophobicContact CB-CB 4.24Å; N1563-F1611 HydrophobicContact CB-CD1 4.34Å; N1563-F1611 HydrophobicContact CB-CE1 3.8Å; N1563-F1611 WeakPolarHBondContact ND2-CD1 3.4Å; N1563-A1612 PolarHBondContact ND2-O 3.36Å; N1563-A1612 PolarHBondContact OD1-O 2.96Å; N1563-L1614 HydrophobicContact CB-CB 4.17Å; N1563-L1614 WeakPolarHBondContact O-CD2 3.46Å |
| 1564 | L | 93.2 | Very high | 86.4 | Confident | 7 Ų | 7 | 34.3 Ų | 34.3 | 4% | 0.037 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 144.1 | 174.3 | -59.5 | -177.9 | 0 | 0 | 0 | 110.6 | S1516 V1518 I1527 T1529 I1536 R1562 V1573 F1574 A1575 | S1516-L1564 PolarHBondContact OG-N 3.18Å; V1518-L1564 HydrophobicContact CG1-CB 4.13Å; V1518-L1564 VanDerWaalsContact CG1-O 3.26Å; V1518-L1564 WeakPolarHBondContact CG1-O 3.19Å; V1518-L1564 HydrophobicContact CG2-CB 3.96Å; I1527-L1564 HydrophobicContact CG2-CD1 4.22Å; T1529-L1564 HydrophobicContact CG2-CD1 4.03Å; T1529-L1564 HydrophobicContact CG2-CD2 4.24Å; T1529-L1564 HydrophobicContact CG2-CG 4.11Å; I1536-L1564 HydrophobicContact CD1-CD2 4.33Å; R1562-L1564 PolarHBondContact O-N 3.13Å; L1564-V1573 HydrophobicContact CD2-CG1 4.41Å; L1564-F1574 WeakPolarHBondContact CA-O 3.36Å; L1564-A1575 HydrophobicContact CD2-CB 3.51Å |
| 1565 | A | 94.2 | Very high | 87 | Confident | 6 Ų | 6 | 32.2 Ų | 32.2 | 5% | 0.05 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 149 | 163.2 | 0 | 0 | 0 | 0 | 0 | 110 | V1573 F1574 L1614 L1616 | A1565-V1573 WeakPolarHBondContact O-CA 3.42Å; A1565-F1574 PolarHBondContact N-O 2.82Å; A1565-F1574 PolarHBondContact O-N 3.04Å; A1565-L1614 HydrophobicContact CB-CB 4.44Å; A1565-L1614 HydrophobicContact CB-CD2 3.9Å; A1565-L1614 HydrophobicContact CB-CG 3.81Å; A1565-L1616 HydrophobicContact CB-CB 4.43Å; A1565-L1616 HydrophobicContact CB-CD1 3.64Å; A1565-L1616 HydrophobicContact CB-CG 3.58Å |
| 1566 | V | 92.2 | Very high | 87.5 | Confident | 20 Ų | 20 | 29.3 Ų | 29.3 | 12% | 0.121 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 131.8 | -177.6 | 63.9 | 0 | 0 | 0 | 0 | 111.3 | V1518 D1520 I1527 S1568 N1572 V1573 | V1518-V1566 HydrophobicContact CB-CG1 4.23Å; V1518-V1566 HydrophobicContact CG2-CB 4.17Å; V1518-V1566 HydrophobicContact CG2-CG1 4.12Å; D1520-V1566 HydrophobicContact CB-CG2 4.17Å; I1527-V1566 HydrophobicContact CD1-CG2 4.44Å; V1566-S1568 PolarHBondContact O-N 2.91Å; V1566-N1572 WeakPolarHBondContact CA-O 3.37Å; V1566-V1573 HydrophobicContact CB-CG2 4.42Å; V1566-V1573 HydrophobicContact CG2-CG2 4.04Å |
| 1567 | D | 92.1 | Very high | 88 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 92.5 | 163.5 | 174.3 | 27.5 | 0 | 0 | 0 | 108.4 | L1569 S1570 G1571 N1572 L1616 S1618 M1643 N1777 | D1567-L1569 PolarHBondContact O-N 3.21Å; D1567-L1569 PolarHBondContact OD1-N 3.28Å; D1567-S1570 VanDerWaalsContact CG-OG 3.28Å; D1567-S1570 PolarHBondContact O-N 2.94Å; D1567-S1570 PolarHBondContact O-OG 2.97Å; D1567-S1570 WeakPolarHBondContact OD2-CB 3.3Å; D1567-S1570 PolarHBondContact OD2-N 3.39Å; D1567-S1570 PolarHBondContact OD2-OG 2.86Å; D1567-G1571 WeakPolarHBondContact O-CA 3.35Å; D1567-G1571 PolarHBondContact O-N 2.97Å; D1567-N1572 PolarHBondContact N-O 3.16Å; D1567-L1616 HydrophobicContact CB-CD1 4.48Å; D1567-S1618 WeakPolarHBondContact CA-OG 3.47Å; D1567-S1618 WeakPolarHBondContact OD1-CA 3.36Å; D1567-S1618 WeakPolarHBondContact OD1-CB 3.49Å; D1567-S1618 PolarHBondContact OD1-OG 3.39Å; D1567-M1643 HydrophobicContact CB-CE 4.35Å; D1567-M1643 HydrophobicContact CB-SD 4.08Å; D1567-N1777 PolarHBondContact OD1-ND2 2.95Å; D1567-N1777 PolarHBondContact OD2-ND2 3.43Å |
| 1568 | S | 87.2 | Confident | 88.6 | Confident | 18 Ų | 18 | 23.8 Ų | 23.8 | 13% | 0.126 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -20.3 | -177.8 | 59 | 0 | 0 | 0 | 0 | 113.5 | D1520 N1522 V1566 S1618 | D1520-S1568 WeakPolarHBondContact OD1-CA 3.49Å; D1520-S1568 VanDerWaalsContact OD1-CB 3.31Å; D1520-S1568 WeakPolarHBondContact OD1-CB 3.42Å; N1522-S1568 WeakPolarHBondContact CB-O 3.48Å; N1522-S1568 PolarHBondContact ND2-O 3.26Å; V1566-S1568 PolarHBondContact O-N 2.91Å; S1568-S1618 PolarHBondContact N-OG 2.72Å |
| 1569 | L | 87.1 | Confident | 88.5 | Confident | 12 Ų | 12 | 19.3 Ų | 19.3 | 6% | 0.063 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -23.7 | 178.5 | -65.9 | -176.5 | 0 | 0 | 0 | 113.7 | D1567 S1775 N1777 T1780 | D1567-L1569 PolarHBondContact O-N 3.21Å; D1567-L1569 PolarHBondContact OD1-N 3.28Å; L1569-S1775 VanDerWaalsContact CD2-O 3.31Å; L1569-S1775 WeakPolarHBondContact CD2-O 3.46Å; L1569-N1777 HydrophobicContact CD1-CB 4.19Å; L1569-T1780 WeakPolarHBondContact O-CA 3.38Å; L1569-T1780 VanDerWaalsContact O-CB 3.3Å; L1569-T1780 WeakPolarHBondContact O-CB 3.39Å; L1569-T1780 WeakPolarHBondContact O-CG2 3.06Å; L1569-T1780 PolarHBondContact O-OG1 2.87Å |
| 1570 | S | 86.7 | Confident | 88.2 | Confident | 20 Ų | 20 | 24.5 Ų | 24.5 | 14% | 0.14 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111 | -17.6 | 173.3 | 64.1 | 0 | 0 | 0 | 0 | 113.9 | D1567 N1572 N1587 | D1567-S1570 VanDerWaalsContact CG-OG 3.28Å; D1567-S1570 PolarHBondContact O-N 2.94Å; D1567-S1570 PolarHBondContact O-OG 2.97Å; D1567-S1570 WeakPolarHBondContact OD2-CB 3.3Å; D1567-S1570 PolarHBondContact OD2-N 3.39Å; D1567-S1570 PolarHBondContact OD2-OG 2.86Å; S1570-N1572 VanDerWaalsContact C-N 3.27Å; S1570-N1572 WeakPolarHBondContact OG-CB 3.44Å; S1570-N1572 PolarHBondContact OG-N 3.48Å; S1570-N1572 PolarHBondContact OG-ND2 2.84Å; S1570-N1587 PolarHBondContact O-ND2 3.3Å |
| 1571 | G | 87.9 | Confident | 88.1 | Confident | 10 Ų | 10 | 21.7 Ų | 21.7 | 10% | 0.103 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.8 | 14.4 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | D1567 N1587 P1588 | D1567-G1571 WeakPolarHBondContact O-CA 3.35Å; D1567-G1571 PolarHBondContact O-N 2.97Å; G1571-N1587 PolarHBondContact O-ND2 3.45Å; G1571-P1588 WeakPolarHBondContact O-CD 3.4Å |
| 1572 | N | 92.5 | Very high | 88 | Confident | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 139.2 | 175.1 | -65.2 | -25.5 | 0 | 0 | 0 | 110.6 | V1566 D1567 S1570 F1574 V1585 F1586 N1587 C1790 | V1566-N1572 WeakPolarHBondContact CA-O 3.37Å; D1567-N1572 PolarHBondContact N-O 3.16Å; S1570-N1572 VanDerWaalsContact C-N 3.27Å; S1570-N1572 WeakPolarHBondContact OG-CB 3.44Å; S1570-N1572 PolarHBondContact OG-N 3.48Å; S1570-N1572 PolarHBondContact OG-ND2 2.84Å; N1572-F1574 HydrophobicContact CB-CE2 4.18Å; N1572-V1585 HydrophobicContact CB-CG1 4.22Å; N1572-F1586 WeakPolarHBondContact CA-O 3.26Å; N1572-N1587 PolarHBondContact OD1-ND2 3.19Å; N1572-C1790 PolarHBondContact ND2-O 3.03Å |
| 1573 | V | 93.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 133.6 | 175.9 | -179 | 0 | 0 | 0 | 0 | 108.6 | I1527 L1564 A1565 V1566 V1585 F1586 P1588 | I1527-V1573 HydrophobicContact CD1-CG2 4.28Å; I1527-V1573 HydrophobicContact CG1-CG2 4.08Å; I1527-V1573 HydrophobicContact CG2-CG1 4.29Å; I1527-V1573 HydrophobicContact CG2-CG2 4.35Å; L1564-V1573 HydrophobicContact CD2-CG1 4.41Å; A1565-V1573 WeakPolarHBondContact O-CA 3.42Å; V1566-V1573 HydrophobicContact CB-CG2 4.42Å; V1566-V1573 HydrophobicContact CG2-CG2 4.04Å; V1573-V1585 WeakPolarHBondContact O-CA 3.46Å; V1573-F1586 HydrophobicContact CB-CD2 4.35Å; V1573-F1586 HydrophobicContact CB-CE1 4.03Å; V1573-F1586 HydrophobicContact CB-CE2 3.73Å; V1573-F1586 HydrophobicContact CB-CZ 3.55Å; V1573-F1586 HydrophobicContact CG1-CE1 3.91Å; V1573-F1586 HydrophobicContact CG1-CE2 4.1Å; V1573-F1586 HydrophobicContact CG1-CZ 3.44Å; V1573-F1586 VanDerWaalsContact CG1-CZ 3.44Å; V1573-F1586 HydrophobicContact CG2-CE2 4.24Å; V1573-F1586 HydrophobicContact CG2-CZ 4.41Å; V1573-F1586 PolarHBondContact N-O 2.83Å; V1573-F1586 PolarHBondContact O-N 3.27Å; V1573-P1588 HydrophobicContact CG2-CG 3.83Å |
| 1574 | F | 95.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 133.7 | 175.2 | -66.5 | -118.8 | 0 | 0 | 0 | 107.2 | L1564 A1565 N1572 I1583 M1584 V1585 L1597 L1614 L1616 M1623 M1643 L1791 | L1564-F1574 WeakPolarHBondContact CA-O 3.36Å; A1565-F1574 PolarHBondContact N-O 2.82Å; A1565-F1574 PolarHBondContact O-N 3.04Å; N1572-F1574 HydrophobicContact CB-CE2 4.18Å; F1574-I1583 HydrophobicContact CB-CG2 4.18Å; F1574-I1583 HydrophobicContact CD1-CG2 4.07Å; F1574-M1584 CarbonylContact C-O 3.17Å; F1574-M1584 WeakPolarHBondContact CA-O 3.19Å; F1574-V1585 HydrophobicContact CD1-CG1 4.36Å; F1574-V1585 HydrophobicContact CD1-CG2 3.52Å; F1574-V1585 HydrophobicContact CD2-CG1 4.01Å; F1574-V1585 HydrophobicContact CE1-CG1 4.15Å; F1574-V1585 HydrophobicContact CE1-CG2 3.51Å; F1574-V1585 HydrophobicContact CE2-CG1 3.78Å; F1574-V1585 HydrophobicContact CG-CG1 4.27Å; F1574-V1585 HydrophobicContact CG-CG2 4.08Å; F1574-V1585 HydrophobicContact CZ-CG1 3.83Å; F1574-V1585 HydrophobicContact CZ-CG2 4.05Å; F1574-L1597 HydrophobicContact CD1-CD1 4Å; F1574-L1597 HydrophobicContact CE1-CD1 3.93Å; F1574-L1614 HydrophobicContact CB-CD2 3.73Å; F1574-L1616 HydrophobicContact CB-CD1 4.32Å; F1574-L1616 HydrophobicContact CD1-CD2 4.48Å; F1574-L1616 HydrophobicContact CD2-CD1 3.43Å; F1574-L1616 VanDerWaalsContact CD2-CD1 3.43Å; F1574-L1616 HydrophobicContact CD2-CD2 4.42Å; F1574-L1616 HydrophobicContact CE2-CD1 3.92Å; F1574-L1616 HydrophobicContact CG-CD1 3.96Å; F1574-L1616 HydrophobicContact CG-CD2 4.39Å; F1574-M1623 HydrophobicContact CD1-SD 4.5Å; F1574-M1623 HydrophobicContact CE1-SD 4.46Å; F1574-M1643 HydrophobicContact CE1-CB 4.16Å; F1574-M1643 WeakPolarHBondContact CE1-O 3.38Å; F1574-M1643 HydrophobicContact CE2-SD 4.27Å; F1574-M1643 HydrophobicContact CZ-CB 3.82Å; F1574-M1643 HydrophobicContact CZ-CG 4.25Å; F1574-M1643 HydrophobicContact CZ-SD 4.13Å; F1574-L1791 HydrophobicContact CZ-CD2 3.96Å |
| 1575 | A | 93 | Very high | 88.3 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 135.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | I1536 F1561 L1564 I1583 M1584 F1586 | I1536-A1575 HydrophobicContact CD1-CB 4.05Å; F1561-A1575 HydrophobicContact CD1-CB 3.9Å; L1564-A1575 HydrophobicContact CD2-CB 3.51Å; A1575-I1583 WeakPolarHBondContact O-CA 3.3Å; A1575-M1584 PolarHBondContact N-O 3.29Å; A1575-M1584 PolarHBondContact O-N 2.9Å; A1575-F1586 HydrophobicContact CB-CE1 4.12Å |
| 1576 | W | 92.6 | Very high | 88.1 | Confident | 19 Ų | 19 | 24.3 Ų | 24.3 | 7% | 0.072 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 125.1 | 167.6 | 175.8 | -108.8 | 0 | 0 | 0 | 109.3 | F1561 R1562 N1563 G1581 I1583 L1603 F1611 | F1561-W1576 CarbonylContact C-O 3.58Å; F1561-W1576 VanDerWaalsContact CA-O 3.25Å; F1561-W1576 WeakPolarHBondContact CA-O 3.48Å; R1562-W1576 HydrophobicContact CB-CB 4.49Å; R1562-W1576 PolarHBondContact N-O 3.08Å; R1562-W1576 WeakPolarHBondContact O-CB 3.32Å; R1562-W1576 PolarHBondContact O-N 3.22Å; N1563-W1576 HydrophobicContact CB-CB 4.24Å; W1576-G1581 VanDerWaalsContact CH2-O 3.29Å; W1576-G1581 WeakPolarHBondContact CH2-O 3.3Å; W1576-G1581 WeakPolarHBondContact CZ3-O 3.21Å; W1576-I1583 HydrophobicContact CE3-CG1 3.92Å; W1576-I1583 HydrophobicContact CZ3-CG1 4.29Å; W1576-L1603 HydrophobicContact CH2-CD1 4.33Å; W1576-L1603 HydrophobicContact CH2-CD2 3.98Å; W1576-L1603 HydrophobicContact CZ3-CD1 3.76Å; W1576-L1603 HydrophobicContact CZ3-CD2 4.17Å; W1576-F1611 HydrophobicContact CB-CD1 4.16Å; W1576-F1611 HydrophobicContact CB-CE1 4.07Å; W1576-F1611 HydrophobicContact CB-CZ 4.49Å; W1576-F1611 HydrophobicContact CD2-CB 3.87Å; W1576-F1611 AromaticContact CD2-CD1 3.97Å; W1576-F1611 HydrophobicContact CD2-CD1 3.97Å; W1576-F1611 AromaticContact CD2-CD2 3.78Å; W1576-F1611 HydrophobicContact CD2-CD2 3.78Å; W1576-F1611 HydrophobicContact CD2-CE1 4.45Å; W1576-F1611 HydrophobicContact CD2-CE2 4.28Å; W1576-F1611 AromaticContact CD2-CG 3.61Å; W1576-F1611 HydrophobicContact CD2-CG 3.61Å; W1576-F1611 VanDerWaalsContact CE2-CB 3.46Å; W1576-F1611 AromaticContact CE2-CG 3.78Å; W1576-F1611 HydrophobicContact CE3-CB 4.36Å; W1576-F1611 HydrophobicContact CE3-CD1 4.4Å; W1576-F1611 AromaticContact CE3-CD2 3.49Å; W1576-F1611 HydrophobicContact CE3-CD2 3.49Å; W1576-F1611 VanDerWaalsContact CE3-CD2 3.49Å; W1576-F1611 AromaticContact CE3-CE2 3.75Å; W1576-F1611 HydrophobicContact CE3-CE2 3.75Å; W1576-F1611 AromaticContact CE3-CG 3.85Å; W1576-F1611 HydrophobicContact CE3-CG 3.85Å; W1576-F1611 HydrophobicContact CE3-CZ 4.32Å; W1576-F1611 HydrophobicContact CG-CB 4.37Å; W1576-F1611 AromaticContact CG-CD1 3.87Å; W1576-F1611 HydrophobicContact CG-CD1 3.87Å; W1576-F1611 HydrophobicContact CG-CE1 4.24Å; W1576-F1611 HydrophobicContact CG-CG 4.01Å; W1576-F1611 HydrophobicContact CH2-CB 4.06Å; W1576-F1611 AromaticContact CH2-CD2 3.95Å; W1576-F1611 HydrophobicContact CH2-CD2 3.95Å; W1576-F1611 HydrophobicContact CH2-CG 4.29Å; W1576-F1611 HydrophobicContact CZ2-CB 3.55Å; W1576-F1611 HydrophobicContact CZ2-CD2 4.24Å; W1576-F1611 HydrophobicContact CZ2-CG 4.11Å; W1576-F1611 HydrophobicContact CZ3-CB 4.45Å; W1576-F1611 AromaticContact CZ3-CD2 3.59Å; W1576-F1611 HydrophobicContact CZ3-CD2 3.59Å; W1576-F1611 HydrophobicContact CZ3-CE2 4.07Å; W1576-F1611 HydrophobicContact CZ3-CG 4.19Å |
| 1577 | E | 88.4 | Confident | 87.8 | Confident | 7 Ų | 7 | 23.9 Ų | 23.9 | 3% | 0.033 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 113.7 | 171.2 | -157.2 | -61.9 | 122.9 | 0 | 0 | 108 | N1559 R1560 F1561 A1579 F1580 G1581 K1582 | N1559-E1577 WeakPolarHBondContact CA-OE1 3.24Å; N1559-E1577 HydrophobicContact CB-CG 3.88Å; N1559-E1577 WeakPolarHBondContact CB-OE1 3.48Å; R1560-E1577 PolarHBondContact N-OE1 3.3Å; F1561-E1577 HydrophobicContact CD1-CB 4.25Å; F1561-E1577 HydrophobicContact CD1-CG 4.19Å; F1561-E1577 HydrophobicContact CE1-CB 4Å; F1561-E1577 HydrophobicContact CE1-CG 3.67Å; F1561-E1577 HydrophobicContact CZ-CG 4.26Å; E1577-A1579 WeakPolarHBondContact OE1-CB 3.17Å; E1577-A1579 PolarHBondContact OE1-N 2.96Å; E1577-A1579 PolarHBondContact OE2-N 2.81Å; E1577-F1580 WeakPolarHBondContact OE2-CB 3.43Å; E1577-F1580 WeakPolarHBondContact OE2-CD2 3.28Å; E1577-F1580 PolarHBondContact OE2-N 3.19Å; E1577-G1581 WeakPolarHBondContact O-CA 3.48Å; E1577-G1581 PolarHBondContact O-N 3.08Å; E1577-K1582 WeakPolarHBondContact CB-O 3.36Å; E1577-K1582 PolarHBondContact N-O 2.79Å; E1577-K1582 PolarHBondContact O-N 3.01Å; E1577-K1582 VanDerWaalsContact O-N 3.16Å |
| 1578 | E | 82.5 | Confident | 87.3 | Confident | 73 Ų | 73 | 24.6 Ų | 24.6 | 34% | 0.341 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -31.3 | -166.5 | -165.7 | 177.1 | 166.9 | 0 | 0 | 112.6 | R1560 R1562 | R1560-E1578 HydrophobicContact CB-CB 4.31Å; R1560-E1578 WeakPolarHBondContact CD-OE2 3.26Å; R1560-E1578 IonicContact NH1-OE1 3.62Å; R1560-E1578 IonicContact NH1-OE2 2.77Å; R1560-E1578 WeakPolarHBondContact O-CB 3.03Å; R1560-E1578 PolarHBondContact O-N 2.9Å; R1562-E1578 VanDerWaalsContact CG-OE2 3.31Å; R1562-E1578 WeakPolarHBondContact CG-OE2 3.49Å; R1562-E1578 IonicContact CZ-OE2 3.75Å; R1562-E1578 IonicContact NE-OE2 2.77Å; R1562-E1578 PolarHBondContact NE-OE2 2.83Å; R1562-E1578 VanDerWaalsContact NE-OE2 3.14Å; R1562-E1578 IonicContact NH2-OE2 3.87Å |
| 1579 | A | 72.4 | Confident | 87 | Confident | 65 Ų | 65 | 28.6 Ų | 28.6 | 54% | 0.537 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -33.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | E1577 | E1577-A1579 WeakPolarHBondContact OE1-CB 3.17Å; E1577-A1579 PolarHBondContact OE1-N 2.96Å; E1577-A1579 PolarHBondContact OE2-N 2.81Å |
| 1580 | F | 74.8 | Confident | 86.7 | Confident | 137 Ų | 137 | 31.2 Ų | 31.2 | 60% | 0.601 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -106.4 | -5.9 | 178.6 | -61.6 | -66.9 | 0 | 0 | 0 | 113.5 | E1577 K1582 | E1577-F1580 WeakPolarHBondContact OE2-CB 3.43Å; E1577-F1580 WeakPolarHBondContact OE2-CD2 3.28Å; E1577-F1580 PolarHBondContact OE2-N 3.19Å; F1580-K1582 HydrophobicContact CB-CD 4.44Å; F1580-K1582 HydrophobicContact CB-CG 4.41Å |
| 1581 | G | 80.6 | Confident | 85.8 | Confident | 27 Ų | 27 | 32.1 Ų | 32.1 | 28% | 0.278 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.7 | 45.2 | 178 | 0 | 0 | 0 | 0 | 0 | 113.6 | W1576 E1577 | W1576-G1581 VanDerWaalsContact CH2-O 3.29Å; W1576-G1581 WeakPolarHBondContact CH2-O 3.3Å; W1576-G1581 WeakPolarHBondContact CZ3-O 3.21Å; E1577-G1581 WeakPolarHBondContact O-CA 3.48Å; E1577-G1581 PolarHBondContact O-N 3.08Å |
| 1582 | K | 86.6 | Confident | 85.2 | Confident | 92 Ų | 92 | 37.9 Ų | 37.9 | 40% | 0.4 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 155.2 | -172.6 | -59.9 | -175.9 | -172.6 | 179.8 | 0 | 113 | E1577 F1580 T1596 | E1577-K1582 WeakPolarHBondContact CB-O 3.36Å; E1577-K1582 PolarHBondContact N-O 2.79Å; E1577-K1582 PolarHBondContact O-N 3.01Å; E1577-K1582 VanDerWaalsContact O-N 3.16Å; F1580-K1582 HydrophobicContact CB-CD 4.44Å; F1580-K1582 HydrophobicContact CB-CG 4.41Å; K1582-T1596 HydrophobicContact CB-CG2 3.75Å; K1582-T1596 HydrophobicContact CD-CG2 3.54Å; K1582-T1596 HydrophobicContact CG-CG2 4.23Å |
| 1583 | I | 91.3 | Very high | 84.7 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 118.7 | 171.2 | -55 | 175.7 | 0 | 0 | 0 | 108.9 | F1574 A1575 W1576 L1597 L1600 F1611 L1614 M1623 | F1574-I1583 HydrophobicContact CB-CG2 4.18Å; F1574-I1583 HydrophobicContact CD1-CG2 4.07Å; A1575-I1583 WeakPolarHBondContact O-CA 3.3Å; W1576-I1583 HydrophobicContact CE3-CG1 3.92Å; W1576-I1583 HydrophobicContact CZ3-CG1 4.29Å; I1583-L1597 HydrophobicContact CB-CB 4.36Å; I1583-L1597 HydrophobicContact CB-CD1 3.91Å; I1583-L1597 HydrophobicContact CG2-CD1 3.76Å; I1583-L1597 PolarHBondContact O-N 3.29Å; I1583-L1600 HydrophobicContact CD1-CD1 3.87Å; I1583-F1611 HydrophobicContact CD1-CE2 4.14Å; I1583-F1611 HydrophobicContact CD1-CZ 4.46Å; I1583-F1611 HydrophobicContact CG1-CE2 4.37Å; I1583-L1614 HydrophobicContact CD1-CD1 4.38Å; I1583-M1623 HydrophobicContact CD1-SD 4.36Å |
| 1584 | M | 90.7 | Very high | 84.3 | Confident | 6 Ų | 6 | 41.2 Ų | 41.2 | 3% | 0.03 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 136 | 173.5 | -173.2 | -179.7 | 75.1 | 0 | 0 | 110.1 | I1536 Y1554 F1561 F1574 A1575 F1586 H1594 | I1536-M1584 HydrophobicContact CD1-CE 4.41Å; Y1554-M1584 HydrophobicContact CD2-CE 4.16Å; Y1554-M1584 HydrophobicContact CE2-CE 4.23Å; Y1554-M1584 HydrophobicContact CE2-SD 4.14Å; Y1554-M1584 HydrophobicContact CG-CE 4.3Å; F1561-M1584 HydrophobicContact CD1-CE 4.29Å; F1561-M1584 HydrophobicContact CE1-CE 3.41Å; F1561-M1584 VanDerWaalsContact CE1-CE 3.41Å; F1561-M1584 HydrophobicContact CE1-SD 4.03Å; F1561-M1584 HydrophobicContact CZ-CE 3.56Å; F1561-M1584 HydrophobicContact CZ-SD 4.17Å; F1574-M1584 CarbonylContact C-O 3.17Å; F1574-M1584 WeakPolarHBondContact CA-O 3.19Å; A1575-M1584 PolarHBondContact N-O 3.29Å; A1575-M1584 PolarHBondContact O-N 2.9Å; M1584-F1586 HydrophobicContact CE-CD1 3.7Å; M1584-F1586 HydrophobicContact CE-CE1 4Å; M1584-H1594 HydrophobicContact CG-CB 4.14Å; M1584-H1594 HydrophobicContact SD-CB 4.08Å |
| 1585 | V | 92.6 | Very high | 84.1 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 132.7 | 176.3 | -165.2 | 0 | 0 | 0 | 0 | 110.3 | N1572 V1573 F1574 H1594 Y1595 L1597 L1791 | N1572-V1585 HydrophobicContact CB-CG1 4.22Å; V1573-V1585 WeakPolarHBondContact O-CA 3.46Å; F1574-V1585 HydrophobicContact CD1-CG1 4.36Å; F1574-V1585 HydrophobicContact CD1-CG2 3.52Å; F1574-V1585 HydrophobicContact CD2-CG1 4.01Å; F1574-V1585 HydrophobicContact CE1-CG1 4.15Å; F1574-V1585 HydrophobicContact CE1-CG2 3.51Å; F1574-V1585 HydrophobicContact CE2-CG1 3.78Å; F1574-V1585 HydrophobicContact CG-CG1 4.27Å; F1574-V1585 HydrophobicContact CG-CG2 4.08Å; F1574-V1585 HydrophobicContact CZ-CG1 3.83Å; F1574-V1585 HydrophobicContact CZ-CG2 4.05Å; V1585-H1594 CarbonylContact O-C 3.51Å; V1585-H1594 VanDerWaalsContact O-CA 3.29Å; V1585-H1594 WeakPolarHBondContact O-CA 3.23Å; V1585-Y1595 PolarHBondContact N-O 2.89Å; V1585-Y1595 PolarHBondContact O-N 2.74Å; V1585-L1597 HydrophobicContact CG2-CD1 3.68Å; V1585-L1597 HydrophobicContact CG2-CG 3.96Å; V1585-L1791 HydrophobicContact CG1-CD2 3.86Å |
| 1586 | F | 89.6 | Confident | 83.8 | Confident | 3 Ų | 3 | 43.3 Ų | 43.3 | 1% | 0.013 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 166.9 | 177.9 | 60.5 | -83.7 | 0 | 0 | 0 | 110.7 | I1536 I1553 N1572 V1573 A1575 M1584 H1594 | I1536-F1586 HydrophobicContact CD1-CE1 3.63Å; I1536-F1586 HydrophobicContact CD1-CZ 3.6Å; I1536-F1586 HydrophobicContact CG2-CE2 4.49Å; I1536-F1586 HydrophobicContact CG2-CZ 3.99Å; I1553-F1586 HydrophobicContact CD1-CE2 3.88Å; I1553-F1586 HydrophobicContact CG2-CD2 3.79Å; I1553-F1586 HydrophobicContact CG2-CE2 3.86Å; N1572-F1586 WeakPolarHBondContact CA-O 3.26Å; V1573-F1586 HydrophobicContact CB-CD2 4.35Å; V1573-F1586 HydrophobicContact CB-CE1 4.03Å; V1573-F1586 HydrophobicContact CB-CE2 3.73Å; V1573-F1586 HydrophobicContact CB-CZ 3.55Å; V1573-F1586 HydrophobicContact CG1-CE1 3.91Å; V1573-F1586 HydrophobicContact CG1-CE2 4.1Å; V1573-F1586 HydrophobicContact CG1-CZ 3.44Å; V1573-F1586 VanDerWaalsContact CG1-CZ 3.44Å; V1573-F1586 HydrophobicContact CG2-CE2 4.24Å; V1573-F1586 HydrophobicContact CG2-CZ 4.41Å; V1573-F1586 PolarHBondContact N-O 2.83Å; V1573-F1586 PolarHBondContact O-N 3.27Å; A1575-F1586 HydrophobicContact CB-CE1 4.12Å; M1584-F1586 HydrophobicContact CE-CD1 3.7Å; M1584-F1586 HydrophobicContact CE-CE1 4Å; F1586-H1594 HydrophobicContact CB-CB 4.13Å |
| 1587 | N | 87.8 | Confident | 83.6 | Confident | 12 Ų | 12 | 42.7 Ų | 42.7 | 6% | 0.064 | 23% | 0.228 | C | C | . | . | trans | -117.4 | 124.8 | 173.5 | -166.1 | -70.7 | 0 | 0 | 0 | 109.3 | S1570 G1571 N1572 N1589 K1590 | S1570-N1587 PolarHBondContact O-ND2 3.3Å; G1571-N1587 PolarHBondContact O-ND2 3.45Å; N1572-N1587 PolarHBondContact OD1-ND2 3.19Å; N1587-N1589 PolarHBondContact O-N 2.91Å; N1587-N1589 WeakPolarHBondContact OD1-CB 3.26Å; N1587-N1589 PolarHBondContact OD1-N 2.74Å; N1587-N1589 VanDerWaalsContact OD1-N 3.13Å; N1587-N1589 PolarHBondContact OD1-ND2 2.94Å; N1587-N1589 VanDerWaalsContact OD1-ND2 3.08Å; N1587-K1590 HydrophobicContact CB-CB 4.44Å; N1587-K1590 CarbonylContact O-C 3.49Å; N1587-K1590 WeakPolarHBondContact O-CA 3.46Å; N1587-K1590 PolarHBondContact O-N 2.94Å | ||
| 1588 | P | 81.6 | Confident | 82.7 | Confident | 15 Ų | 15 | 48.4 Ų | 48.4 | 10% | 0.097 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -23.2 | -178.9 | -26.9 | 35.6 | 0 | 0 | 0 | 114.6 | I1527 I1553 G1571 V1573 K1590 | I1527-P1588 HydrophobicContact CG1-CG 4.48Å; I1553-P1588 HydrophobicContact CD1-CB 3.75Å; I1553-P1588 HydrophobicContact CD1-CG 3.88Å; I1553-P1588 HydrophobicContact CG1-CB 4.46Å; G1571-P1588 WeakPolarHBondContact O-CD 3.4Å; V1573-P1588 HydrophobicContact CG2-CG 3.83Å; P1588-K1590 VanDerWaalsContact C-N 3.32Å |
| 1589 | N | 80.1 | Confident | 81.9 | Confident | 101 Ų | 101 | 49.8 Ų | 49.8 | 54% | 0.54 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -8.8 | 176 | -52.3 | -68.3 | 0 | 0 | 0 | 113.1 | R1525 N1587 | R1525-N1589 PolarHBondContact NH1-OD1 3.17Å; R1525-N1589 PolarHBondContact NH2-OD1 2.97Å; N1587-N1589 PolarHBondContact O-N 2.91Å; N1587-N1589 WeakPolarHBondContact OD1-CB 3.26Å; N1587-N1589 PolarHBondContact OD1-N 2.74Å; N1587-N1589 VanDerWaalsContact OD1-N 3.13Å; N1587-N1589 PolarHBondContact OD1-ND2 2.94Å; N1587-N1589 VanDerWaalsContact OD1-ND2 3.08Å |
| 1590 | K | 80.3 | Confident | 82.3 | Confident | 68 Ų | 68 | 46.9 Ų | 46.9 | 30% | 0.296 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -135.5 | 60.7 | 179.3 | -58 | -175.5 | -171.2 | 178.2 | 0 | 110.7 | N1587 P1588 N1592 I1593 Y1788 | N1587-K1590 HydrophobicContact CB-CB 4.44Å; N1587-K1590 CarbonylContact O-C 3.49Å; N1587-K1590 WeakPolarHBondContact O-CA 3.46Å; N1587-K1590 PolarHBondContact O-N 2.94Å; P1588-K1590 VanDerWaalsContact C-N 3.32Å; K1590-N1592 VanDerWaalsContact C-N 3.25Å; K1590-N1592 PolarHBondContact O-N 3.19Å; K1590-N1592 VanDerWaalsContact O-N 3.09Å; K1590-I1593 HydrophobicContact CB-CB 4.24Å; K1590-I1593 HydrophobicContact CB-CD1 4.21Å; K1590-I1593 HydrophobicContact CD-CD1 4.07Å; K1590-I1593 PolarHBondContact O-N 3.34Å; K1590-Y1788 PolarHBondContact NZ-O 3.23Å |
| 1591 | P | 68.9 | Low | 82.5 | Confident | 38 Ų | 38 | 47.2 Ų | 47.2 | 25% | 0.247 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -31.1 | -169.1 | 22.2 | -34.5 | 0 | 0 | 0 | 115 | I1553 I1593 | I1553-P1591 HydrophobicContact CG2-CB 3.91Å; I1553-P1591 VanDerWaalsContact O-CB 3.29Å; I1553-P1591 WeakPolarHBondContact O-CB 3.21Å; P1591-I1593 PolarHBondContact O-N 3.29Å |
| 1592 | N | 75 | Confident | 82.4 | Confident | 132 Ų | 132 | 46.5 Ų | 46.5 | 71% | 0.706 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -0.4 | 179.5 | -59.8 | -3.1 | 0 | 0 | 0 | 113.6 | K1590 N1806 | K1590-N1592 VanDerWaalsContact C-N 3.25Å; K1590-N1592 PolarHBondContact O-N 3.19Å; K1590-N1592 VanDerWaalsContact O-N 3.09Å; N1592-N1806 PolarHBondContact O-ND2 2.93Å |
| 1593 | I | 81.3 | Confident | 82 | Confident | 32 Ų | 32 | 44 Ų | 44 | 16% | 0.164 | 23% | 0.233 | C | C | . | . | trans | -118.6 | 106.2 | -177.6 | -72.6 | 160.4 | 0 | 0 | 0 | 108.2 | K1590 P1591 Y1788 I1789 P1804 | K1590-I1593 HydrophobicContact CB-CB 4.24Å; K1590-I1593 HydrophobicContact CB-CD1 4.21Å; K1590-I1593 HydrophobicContact CD-CD1 4.07Å; K1590-I1593 PolarHBondContact O-N 3.34Å; P1591-I1593 PolarHBondContact O-N 3.29Å; I1593-Y1788 HydrophobicContact CD1-CD1 3.96Å; I1593-Y1788 HydrophobicContact CG1-CD1 4.4Å; I1593-I1789 HydrophobicContact CG2-CD1 3.69Å; I1593-I1789 HydrophobicContact CG2-CG1 3.67Å; I1593-P1804 HydrophobicContact CB-CG 4.48Å; I1593-P1804 HydrophobicContact CG1-CG 4.16Å; I1593-P1804 HydrophobicContact CG2-CB 4.2Å; I1593-P1804 HydrophobicContact CG2-CG 3.86Å | ||
| 1594 | H | 86 | Confident | 80.9 | Confident | 39 Ų | 39 | 48.4 Ų | 48.4 | 18% | 0.181 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 152.1 | 171.4 | 53.6 | -89.1 | 0 | 0 | 0 | 109.6 | M1584 V1585 F1586 P1804 D1805 | M1584-H1594 HydrophobicContact CG-CB 4.14Å; M1584-H1594 HydrophobicContact SD-CB 4.08Å; V1585-H1594 CarbonylContact O-C 3.51Å; V1585-H1594 VanDerWaalsContact O-CA 3.29Å; V1585-H1594 WeakPolarHBondContact O-CA 3.23Å; F1586-H1594 HydrophobicContact CB-CB 4.13Å; H1594-P1804 CarbonylContact O-C 3.55Å; H1594-P1804 VanDerWaalsContact O-CA 3.25Å; H1594-P1804 WeakPolarHBondContact O-CA 3.42Å; H1594-D1805 IonicContact CD2-OD2 2.66Å; H1594-D1805 PolarHBondContact O-N 2.58Å |
| 1595 | Y | 89.2 | Confident | 79.6 | Confident | 14 Ų | 14 | 50 Ų | 50 | 6% | 0.055 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 131.4 | 175.8 | 168.8 | -108.7 | 0 | 0 | 0 | 109 | V1585 L1597 L1791 V1802 C1803 D1805 K1812 | V1585-Y1595 PolarHBondContact N-O 2.89Å; V1585-Y1595 PolarHBondContact O-N 2.74Å; Y1595-L1597 HydrophobicContact CE1-CD2 3.95Å; Y1595-L1597 HydrophobicContact CE1-CG 4.31Å; Y1595-L1791 HydrophobicContact CD1-CD1 4.1Å; Y1595-L1791 HydrophobicContact CE1-CD1 3.99Å; Y1595-V1802 HydrophobicContact CD1-CB 3.91Å; Y1595-V1802 HydrophobicContact CD1-CG1 4.21Å; Y1595-V1802 HydrophobicContact CD1-CG2 3.49Å; Y1595-V1802 VanDerWaalsContact CD1-CG2 3.49Å; Y1595-V1802 HydrophobicContact CD2-CB 3.98Å; Y1595-V1802 HydrophobicContact CD2-CG2 4.14Å; Y1595-V1802 HydrophobicContact CE1-CB 3.9Å; Y1595-V1802 HydrophobicContact CE1-CG1 3.75Å; Y1595-V1802 HydrophobicContact CE1-CG2 3.94Å; Y1595-V1802 HydrophobicContact CE2-CB 3.97Å; Y1595-V1802 HydrophobicContact CE2-CG1 4.33Å; Y1595-V1802 HydrophobicContact CG-CB 3.92Å; Y1595-V1802 HydrophobicContact CG-CG2 3.57Å; Y1595-C1803 WeakPolarHBondContact CD2-O 3.41Å; Y1595-D1805 WeakPolarHBondContact CA-OD1 3.44Å; Y1595-K1812 PolarHBondContact OH-NZ 3.31Å |
| 1596 | T | 88.2 | Confident | 77.8 | Confident | 29 Ų | 29 | 56.2 Ų | 56.2 | 18% | 0.178 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 130.1 | 175.7 | -59 | 0 | 0 | 0 | 0 | 109.7 | K1582 E1598 D1805 | K1582-T1596 HydrophobicContact CB-CG2 3.75Å; K1582-T1596 HydrophobicContact CD-CG2 3.54Å; K1582-T1596 HydrophobicContact CG-CG2 4.23Å; T1596-E1598 PolarHBondContact O-N 3.38Å; T1596-D1805 WeakPolarHBondContact CB-OD2 3.42Å; T1596-D1805 VanDerWaalsContact N-CG 3.33Å; T1596-D1805 PolarHBondContact N-OD1 3.35Å; T1596-D1805 PolarHBondContact N-OD2 2.78Å; T1596-D1805 PolarHBondContact OG1-OD2 2.9Å |
| 1597 | L | 87 | Confident | 76.3 | Confident | 7 Ų | 7 | 62.5 Ų | 62.5 | 4% | 0.037 | 35% | 0.345 | C | S | . | . | trans | -71.2 | 92.6 | 175.9 | -78.5 | 160.6 | 0 | 0 | 0 | 110.3 | F1574 I1583 V1585 Y1595 M1623 S1644 L1791 | F1574-L1597 HydrophobicContact CD1-CD1 4Å; F1574-L1597 HydrophobicContact CE1-CD1 3.93Å; I1583-L1597 HydrophobicContact CB-CB 4.36Å; I1583-L1597 HydrophobicContact CB-CD1 3.91Å; I1583-L1597 HydrophobicContact CG2-CD1 3.76Å; I1583-L1597 PolarHBondContact O-N 3.29Å; V1585-L1597 HydrophobicContact CG2-CD1 3.68Å; V1585-L1597 HydrophobicContact CG2-CG 3.96Å; Y1595-L1597 HydrophobicContact CE1-CD2 3.95Å; Y1595-L1597 HydrophobicContact CE1-CG 4.31Å; L1597-M1623 HydrophobicContact CD1-CE 4.08Å; L1597-M1623 HydrophobicContact CD1-SD 4.18Å; L1597-S1644 VanDerWaalsContact CD2-C 3.47Å; L1597-S1644 VanDerWaalsContact CD2-O 3.29Å; L1597-S1644 WeakPolarHBondContact CD2-O 3.36Å; L1597-L1791 HydrophobicContact CD2-CD1 4.25Å | ||
| 1598 | E | 70.7 | Confident | 75.1 | Confident | 126 Ų | 126 | 66.2 Ų | 66.2 | 59% | 0.589 | 36% | 0.362 | S | S | * | . | trans | -74 | 149.9 | 168 | -57.2 | -171.6 | 142.7 | 0 | 0 | 111 | T1596 | T1596-E1598 PolarHBondContact O-N 3.38Š| ||
| 1599 | S | 64.8 | Low | 74.6 | Confident | 103 Ų | 103 | 67.7 Ų | 67.7 | 72% | 0.72 | 37% | 0.367 | S | S | * | . | trans | 80.6 | 19.6 | 168.4 | -36.4 | 0 | 0 | 0 | 0 | 118.7 | H1601 | S1599-H1601 PolarHBondContact O-N 3.3Š| ||
| 1600 | L | 80.7 | Confident | 74.8 | Confident | 4 Ų | 4 | 64.4 Ų | 64.4 | 2% | 0.021 | 35% | 0.35 | C | S | . | . | trans | -69.9 | 121.3 | 165 | -70.2 | 172.8 | 0 | 0 | 0 | 110.1 | I1583 L1603 T1604 M1623 W1625 E1648 | I1583-L1600 HydrophobicContact CD1-CD1 3.87Å; L1600-L1603 HydrophobicContact CB-CB 4.26Å; L1600-L1603 HydrophobicContact CB-CD1 4.12Å; L1600-L1603 HydrophobicContact CB-CG 4.35Å; L1600-L1603 HydrophobicContact CD1-CD1 3.78Å; L1600-L1603 PolarHBondContact O-N 2.96Å; L1600-T1604 WeakPolarHBondContact O-CB 3.26Å; L1600-T1604 WeakPolarHBondContact O-CG2 3.35Å; L1600-T1604 PolarHBondContact O-N 3.03Å; L1600-T1604 PolarHBondContact O-OG1 3Å; L1600-M1623 HydrophobicContact CD1-CE 4.03Å; L1600-M1623 HydrophobicContact CD2-CE 3.84Å; L1600-W1625 HydrophobicContact CD1-CZ2 4.38Å; L1600-W1625 HydrophobicContact CD2-CH2 3.71Å; L1600-W1625 HydrophobicContact CD2-CZ2 4.01Å; L1600-E1648 VanDerWaalsContact CA-OE2 3.26Å; L1600-E1648 WeakPolarHBondContact CA-OE2 3.47Å; L1600-E1648 WeakPolarHBondContact CD2-OE2 3.43Å | ||
| 1601 | H | 80.6 | Confident | 75.2 | Confident | 144 Ų | 144 | 62 Ų | 62 | 67% | 0.667 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -42.2 | -170.2 | -171.9 | 40.4 | 0 | 0 | 0 | 112.3 | S1599 L1603 T1604 S1605 E1648 | S1599-H1601 PolarHBondContact O-N 3.3Å; H1601-L1603 VanDerWaalsContact C-N 3.3Å; H1601-L1603 PolarHBondContact O-N 2.85Å; H1601-T1604 WeakPolarHBondContact CA-OG1 3.46Å; H1601-T1604 PolarHBondContact O-N 3.07Å; H1601-T1604 PolarHBondContact O-OG1 2.76Å; H1601-S1605 PolarHBondContact O-N 3.11Å; H1601-S1605 VanDerWaalsContact O-N 3.15Å; H1601-E1648 PolarHBondContact N-OE2 2.91Å |
| 1602 | S | 78.3 | Confident | 75.9 | Confident | 12 Ų | 12 | 60.4 Ų | 60.4 | 8% | 0.084 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -60.2 | -43.3 | 177.4 | 80.1 | 0 | 0 | 0 | 0 | 111.1 | T1604 S1605 Q1609 W1625 E1648 | S1602-T1604 VanDerWaalsContact C-N 3.32Å; S1602-T1604 PolarHBondContact O-N 3.42Å; S1602-S1605 WeakPolarHBondContact O-CB 3.25Å; S1602-S1605 PolarHBondContact O-N 2.79Å; S1602-Q1609 PolarHBondContact O-NE2 2.94Å; S1602-Q1609 VanDerWaalsContact O-NE2 3.15Å; S1602-Q1609 PolarHBondContact O-OE1 2.6Å; S1602-W1625 PolarHBondContact OG-NE1 2.74Å; S1602-E1648 WeakPolarHBondContact CB-OE1 3.31Å; S1602-E1648 PolarHBondContact N-OE1 3.24Å; S1602-E1648 PolarHBondContact OG-OE1 3.03Å |
| 1603 | L | 77 | Confident | 76.6 | Confident | 39 Ų | 39 | 54.2 Ų | 54.2 | 20% | 0.204 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -78.9 | -12.7 | -178.7 | -59.1 | 177 | 0 | 0 | 0 | 113.8 | W1576 L1600 H1601 F1611 I1627 | W1576-L1603 HydrophobicContact CH2-CD1 4.33Å; W1576-L1603 HydrophobicContact CH2-CD2 3.98Å; W1576-L1603 HydrophobicContact CZ3-CD1 3.76Å; W1576-L1603 HydrophobicContact CZ3-CD2 4.17Å; L1600-L1603 HydrophobicContact CB-CB 4.26Å; L1600-L1603 HydrophobicContact CB-CD1 4.12Å; L1600-L1603 HydrophobicContact CB-CG 4.35Å; L1600-L1603 HydrophobicContact CD1-CD1 3.78Å; L1600-L1603 PolarHBondContact O-N 2.96Å; H1601-L1603 VanDerWaalsContact C-N 3.3Å; H1601-L1603 PolarHBondContact O-N 2.85Å; L1603-F1611 HydrophobicContact CD2-CD2 4.35Å; L1603-I1627 HydrophobicContact CD2-CG2 3.98Å |
| 1604 | T | 69 | Low | 77.2 | Confident | 92 Ų | 92 | 53.2 Ų | 53.2 | 56% | 0.564 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -103.7 | 8.1 | 174.1 | 52.5 | 0 | 0 | 0 | 0 | 112.9 | L1600 H1601 S1602 | L1600-T1604 WeakPolarHBondContact O-CB 3.26Å; L1600-T1604 WeakPolarHBondContact O-CG2 3.35Å; L1600-T1604 PolarHBondContact O-N 3.03Å; L1600-T1604 PolarHBondContact O-OG1 3Å; H1601-T1604 WeakPolarHBondContact CA-OG1 3.46Å; H1601-T1604 PolarHBondContact O-N 3.07Å; H1601-T1604 PolarHBondContact O-OG1 2.76Å; S1602-T1604 VanDerWaalsContact C-N 3.32Å; S1602-T1604 PolarHBondContact O-N 3.42Å |
| 1605 | S | 63 | Low | 77.6 | Confident | 40 Ų | 40 | 51.7 Ų | 51.7 | 28% | 0.28 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -63.1 | 151.8 | 174.9 | 110.7 | 0 | 0 | 0 | 0 | 111.3 | H1601 S1602 E1607 Q1609 | H1601-S1605 PolarHBondContact O-N 3.11Å; H1601-S1605 VanDerWaalsContact O-N 3.15Å; S1602-S1605 WeakPolarHBondContact O-CB 3.25Å; S1602-S1605 PolarHBondContact O-N 2.79Å; S1605-E1607 PolarHBondContact O-N 3.41Å; S1605-E1607 PolarHBondContact OG-N 2.83Å; S1605-E1607 VanDerWaalsContact OG-N 3.13Å; S1605-E1607 PolarHBondContact OG-O 3.38Å; S1605-Q1609 PolarHBondContact OG-NE2 2.85Å |
| 1606 | S | 54.8 | Low | 77.8 | Confident | 131 Ų | 131 | 51.7 Ų | 51.7 | 92% | 0.916 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -69.7 | -14.6 | 175.7 | 51.8 | 0 | 0 | 0 | 0 | 113.8 | ||
| 1607 | E | 59.1 | Low | 78 | Confident | 135 Ų | 135 | 50.7 Ų | 50.7 | 63% | 0.631 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -90.1 | 133.4 | 172.7 | -65.5 | -178.2 | 175.6 | 0 | 0 | 109.4 | S1605 Q1609 | S1605-E1607 PolarHBondContact O-N 3.41Å; S1605-E1607 PolarHBondContact OG-N 2.83Å; S1605-E1607 VanDerWaalsContact OG-N 3.13Å; S1605-E1607 PolarHBondContact OG-O 3.38Å; E1607-Q1609 PolarHBondContact O-N 2.95Å |
| 1608 | Q | 61.1 | Low | 78.1 | Confident | 90 Ų | 90 | 51 Ų | 51 | 42% | 0.421 | 28% | 0.282 | S | S | . | . | trans | -70.4 | 127.8 | 179.7 | -172.8 | 179.5 | 2.2 | 0 | 0 | 109.9 | ||||
| 1609 | Q | 72.1 | Confident | 78.8 | Confident | 46 Ų | 46 | 47.2 Ų | 47.2 | 22% | 0.215 | 27% | 0.268 | C | S | . | . | trans | -123 | 137.4 | -177.8 | -64.8 | 179.3 | 11.2 | 0 | 0 | 110.8 | S1602 S1605 E1607 Y1628 | S1602-Q1609 PolarHBondContact O-NE2 2.94Å; S1602-Q1609 VanDerWaalsContact O-NE2 3.15Å; S1602-Q1609 PolarHBondContact O-OE1 2.6Å; S1605-Q1609 PolarHBondContact OG-NE2 2.85Å; E1607-Q1609 PolarHBondContact O-N 2.95Å; Q1609-Y1628 WeakPolarHBondContact CA-O 3.46Å | ||
| 1610 | N | 84.2 | Confident | 80 | Confident | 32 Ų | 32 | 43.5 Ų | 43.5 | 17% | 0.171 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 141.1 | 178.3 | -67.2 | -33.4 | 0 | 0 | 0 | 110.6 | I1627 Y1628 D1630 | N1610-I1627 CarbonylContact O-C 3.09Å; N1610-I1627 WeakPolarHBondContact O-CA 3.36Å; N1610-Y1628 HydrophobicContact CB-CD1 3.95Å; N1610-Y1628 HydrophobicContact CB-CD2 4.28Å; N1610-Y1628 HydrophobicContact CB-CE1 3.43Å; N1610-Y1628 VanDerWaalsContact CB-CE1 3.43Å; N1610-Y1628 HydrophobicContact CB-CE2 3.81Å; N1610-Y1628 HydrophobicContact CB-CG 4.35Å; N1610-Y1628 PolarHBondContact N-O 3.24Å; N1610-Y1628 WeakPolarHBondContact O-CD1 3.45Å; N1610-Y1628 PolarHBondContact O-N 3.12Å; N1610-D1630 PolarHBondContact ND2-OD1 3.37Å; N1610-D1630 PolarHBondContact ND2-OD2 3.3Å |
| 1611 | F | 88.2 | Confident | 80.5 | Confident | 17 Ų | 17 | 43.3 Ų | 43.3 | 8% | 0.075 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 118.3 | -172.3 | -169.4 | -74.5 | 0 | 0 | 0 | 111.6 | N1563 W1576 I1583 L1603 G1613 L1614 W1625 I1627 | N1563-F1611 HydrophobicContact CB-CD1 4.34Å; N1563-F1611 HydrophobicContact CB-CE1 3.8Å; N1563-F1611 WeakPolarHBondContact ND2-CD1 3.4Å; W1576-F1611 HydrophobicContact CB-CD1 4.16Å; W1576-F1611 HydrophobicContact CB-CE1 4.07Å; W1576-F1611 HydrophobicContact CB-CZ 4.49Å; W1576-F1611 HydrophobicContact CD2-CB 3.87Å; W1576-F1611 AromaticContact CD2-CD1 3.97Å; W1576-F1611 HydrophobicContact CD2-CD1 3.97Å; W1576-F1611 AromaticContact CD2-CD2 3.78Å; W1576-F1611 HydrophobicContact CD2-CD2 3.78Å; W1576-F1611 HydrophobicContact CD2-CE1 4.45Å; W1576-F1611 HydrophobicContact CD2-CE2 4.28Å; W1576-F1611 AromaticContact CD2-CG 3.61Å; W1576-F1611 HydrophobicContact CD2-CG 3.61Å; W1576-F1611 VanDerWaalsContact CE2-CB 3.46Å; W1576-F1611 AromaticContact CE2-CG 3.78Å; W1576-F1611 HydrophobicContact CE3-CB 4.36Å; W1576-F1611 HydrophobicContact CE3-CD1 4.4Å; W1576-F1611 AromaticContact CE3-CD2 3.49Å; W1576-F1611 HydrophobicContact CE3-CD2 3.49Å; W1576-F1611 VanDerWaalsContact CE3-CD2 3.49Å; W1576-F1611 AromaticContact CE3-CE2 3.75Å; W1576-F1611 HydrophobicContact CE3-CE2 3.75Å; W1576-F1611 AromaticContact CE3-CG 3.85Å; W1576-F1611 HydrophobicContact CE3-CG 3.85Å; W1576-F1611 HydrophobicContact CE3-CZ 4.32Å; W1576-F1611 HydrophobicContact CG-CB 4.37Å; W1576-F1611 AromaticContact CG-CD1 3.87Å; W1576-F1611 HydrophobicContact CG-CD1 3.87Å; W1576-F1611 HydrophobicContact CG-CE1 4.24Å; W1576-F1611 HydrophobicContact CG-CG 4.01Å; W1576-F1611 HydrophobicContact CH2-CB 4.06Å; W1576-F1611 AromaticContact CH2-CD2 3.95Å; W1576-F1611 HydrophobicContact CH2-CD2 3.95Å; W1576-F1611 HydrophobicContact CH2-CG 4.29Å; W1576-F1611 HydrophobicContact CZ2-CB 3.55Å; W1576-F1611 HydrophobicContact CZ2-CD2 4.24Å; W1576-F1611 HydrophobicContact CZ2-CG 4.11Å; W1576-F1611 HydrophobicContact CZ3-CB 4.45Å; W1576-F1611 AromaticContact CZ3-CD2 3.59Å; W1576-F1611 HydrophobicContact CZ3-CD2 3.59Å; W1576-F1611 HydrophobicContact CZ3-CE2 4.07Å; W1576-F1611 HydrophobicContact CZ3-CG 4.19Å; I1583-F1611 HydrophobicContact CD1-CE2 4.14Å; I1583-F1611 HydrophobicContact CD1-CZ 4.46Å; I1583-F1611 HydrophobicContact CG1-CE2 4.37Å; L1603-F1611 HydrophobicContact CD2-CD2 4.35Å; F1611-G1613 WeakPolarHBondContact CE1-O 3.39Å; F1611-L1614 HydrophobicContact CE1-CB 4.08Å; F1611-L1614 HydrophobicContact CZ-CB 3.98Å; F1611-L1614 HydrophobicContact CZ-CD1 4.27Å; F1611-W1625 AromaticContact CD2-CD1 3.99Å; F1611-W1625 HydrophobicContact CE2-CB 3.58Å; F1611-W1625 AromaticContact CE2-CD1 3.51Å; F1611-W1625 AromaticContact CE2-CG 3.75Å; F1611-W1625 HydrophobicContact CE2-CG 3.75Å; F1611-W1625 HydrophobicContact CZ-CB 3.54Å; F1611-W1625 HydrophobicContact CZ-CG 4.23Å; F1611-I1627 HydrophobicContact CD2-CG2 4.35Å |
| 1612 | A | 84 | Confident | 81.1 | Confident | 4 Ų | 4 | 36.5 Ų | 36.5 | 3% | 0.033 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | -43.7 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | R1514 N1563 A1626 P1658 | R1514-A1612 PolarHBondContact NH2-O 2.85Å; N1563-A1612 PolarHBondContact ND2-O 3.36Å; N1563-A1612 PolarHBondContact OD1-O 2.96Å; A1612-A1626 HydrophobicContact CB-CB 4.1Å; A1612-A1626 PolarHBondContact N-O 2.92Å; A1612-P1658 HydrophobicContact CB-CB 3.72Å; A1612-P1658 HydrophobicContact CB-CG 3.64Å; A1612-P1658 WeakPolarHBondContact CB-O 3.47Å |
| 1613 | G | 88.6 | Confident | 81.9 | Confident | 2 Ų | 2 | 35.9 Ų | 35.9 | 2% | 0.021 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.6 | 160.8 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114 | F1611 W1625 A1626 I1661 | F1611-G1613 WeakPolarHBondContact CE1-O 3.39Å; G1613-W1625 VanDerWaalsContact O-CA 3.23Å; G1613-W1625 WeakPolarHBondContact O-CA 3.48Å; G1613-W1625 WeakPolarHBondContact O-CB 3.38Å; G1613-A1626 PolarHBondContact O-N 2.93Å; G1613-I1661 VanDerWaalsContact C-CG2 3.42Å |
| 1614 | L | 94.3 | Very high | 82.8 | Confident | 11 Ų | 11 | 34 Ų | 34 | 6% | 0.058 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 136.6 | -177.1 | -177 | 64.1 | 0 | 0 | 0 | 110.6 | N1563 A1565 F1574 I1583 F1611 Y1624 W1625 | N1563-L1614 HydrophobicContact CB-CB 4.17Å; N1563-L1614 WeakPolarHBondContact O-CD2 3.46Å; A1565-L1614 HydrophobicContact CB-CB 4.44Å; A1565-L1614 HydrophobicContact CB-CD2 3.9Å; A1565-L1614 HydrophobicContact CB-CG 3.81Å; F1574-L1614 HydrophobicContact CB-CD2 3.73Å; I1583-L1614 HydrophobicContact CD1-CD1 4.38Å; F1611-L1614 HydrophobicContact CE1-CB 4.08Å; F1611-L1614 HydrophobicContact CZ-CB 3.98Å; F1611-L1614 HydrophobicContact CZ-CD1 4.27Å; L1614-Y1624 CarbonylContact C-O 3.57Å; L1614-Y1624 WeakPolarHBondContact CA-O 3.43Å; L1614-W1625 HydrophobicContact CD1-CB 4.08Å |
| 1615 | A | 94.1 | Very high | 84 | Confident | 7 Ų | 7 | 29.7 Ų | 29.7 | 6% | 0.058 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 149.8 | 174 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y1624 I1661 I1663 | A1615-Y1624 PolarHBondContact N-O 2.71Å; A1615-Y1624 PolarHBondContact O-N 3.34Å; A1615-I1661 HydrophobicContact CB-CG2 4.13Å; A1615-I1663 HydrophobicContact CB-CB 4.27Å; A1615-I1663 HydrophobicContact CB-CG2 3.98Å |
| 1616 | L | 93.8 | Very high | 85.5 | Confident | 14 Ų | 14 | 27.8 Ų | 27.8 | 7% | 0.073 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 136.9 | -174.7 | -65.9 | 177.5 | 0 | 0 | 0 | 111.8 | A1565 D1567 F1574 M1623 M1643 I1663 | A1565-L1616 HydrophobicContact CB-CB 4.43Å; A1565-L1616 HydrophobicContact CB-CD1 3.64Å; A1565-L1616 HydrophobicContact CB-CG 3.58Å; D1567-L1616 HydrophobicContact CB-CD1 4.48Å; F1574-L1616 HydrophobicContact CB-CD1 4.32Å; F1574-L1616 HydrophobicContact CD1-CD2 4.48Å; F1574-L1616 HydrophobicContact CD2-CD1 3.43Å; F1574-L1616 VanDerWaalsContact CD2-CD1 3.43Å; F1574-L1616 HydrophobicContact CD2-CD2 4.42Å; F1574-L1616 HydrophobicContact CE2-CD1 3.92Å; F1574-L1616 HydrophobicContact CG-CD1 3.96Å; F1574-L1616 HydrophobicContact CG-CD2 4.39Å; L1616-M1623 HydrophobicContact CD2-CB 3.36Å; L1616-M1643 HydrophobicContact CB-CE 3.78Å; L1616-M1643 HydrophobicContact CD2-CE 4.01Å; L1616-M1643 HydrophobicContact CD2-CG 4.16Å; L1616-M1643 HydrophobicContact CD2-SD 4.17Å; L1616-M1643 HydrophobicContact CG-CE 4.31Å; L1616-I1663 VanDerWaalsContact O-CG2 3.32Å; L1616-I1663 WeakPolarHBondContact O-CG2 3.47Å |
| 1617 | H | 92.2 | Very high | 87.2 | Confident | 9 Ų | 9 | 21.7 Ų | 21.7 | 4% | 0.042 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 84.3 | 171.3 | -164.6 | -42.3 | 0 | 0 | 0 | 109.8 | T1619 L1620 G1621 L1622 Y1624 I1663 A1674 | H1617-T1619 WeakPolarHBondContact CE1-CB 3.27Å; H1617-T1619 PolarHBondContact O-N 3.33Å; H1617-L1620 HydrophobicContact CB-CB 4.45Å; H1617-L1620 PolarHBondContact ND1-N 2.89Å; H1617-L1620 PolarHBondContact O-N 2.8Å; H1617-G1621 PolarHBondContact O-N 3.48Å; H1617-L1622 HydrophobicContact CB-CB 4.3Å; H1617-L1622 PolarHBondContact N-O 3.3Å; H1617-L1622 PolarHBondContact O-N 2.74Å; H1617-Y1624 HydrophobicContact CB-CE2 3.94Å; H1617-I1663 HydrophobicContact CB-CD1 4.09Å; H1617-A1674 VanDerWaalsContact NE2-CA 3.34Å; H1617-A1674 WeakPolarHBondContact NE2-CA 3.41Å; H1617-A1674 VanDerWaalsContact NE2-CB 3.26Å; H1617-A1674 WeakPolarHBondContact NE2-CB 3.22Å; H1617-A1674 PolarHBondContact NE2-O 2.55Å |
| 1618 | S | 89.7 | Confident | 88.7 | Confident | 12 Ų | 12 | 17.2 Ų | 17.2 | 8% | 0.084 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -45.2 | -38.7 | -178.1 | -71.7 | 0 | 0 | 0 | 0 | 115.1 | D1567 S1568 N1777 | D1567-S1618 WeakPolarHBondContact CA-OG 3.47Å; D1567-S1618 WeakPolarHBondContact OD1-CA 3.36Å; D1567-S1618 WeakPolarHBondContact OD1-CB 3.49Å; D1567-S1618 PolarHBondContact OD1-OG 3.39Å; S1568-S1618 PolarHBondContact N-OG 2.72Å; S1618-N1777 WeakPolarHBondContact O-CB 3.32Å; S1618-N1777 PolarHBondContact O-ND2 2.95Å |
| 1619 | T | 85.6 | Confident | 89.5 | Confident | 47 Ų | 47 | 14.9 Ų | 14.9 | 29% | 0.288 | 8% | 0.08 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -26.7 | -175.3 | -42.8 | 0 | 0 | 0 | 0 | 113.3 | H1617 S1775 G1796 | H1617-T1619 WeakPolarHBondContact CE1-CB 3.27Å; H1617-T1619 PolarHBondContact O-N 3.33Å; T1619-S1775 WeakPolarHBondContact OG1-CB 3.49Å; T1619-G1796 WeakPolarHBondContact O-CA 3.46Å |
| 1620 | L | 89 | Confident | 89.3 | Confident | 26 Ų | 26 | 16.2 Ų | 16.2 | 14% | 0.136 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | -4.6 | 177.5 | -69.3 | 178.8 | 0 | 0 | 0 | 113.5 | H1617 L1622 A1674 D1794 G1795 G1796 | H1617-L1620 HydrophobicContact CB-CB 4.45Å; H1617-L1620 PolarHBondContact ND1-N 2.89Å; H1617-L1620 PolarHBondContact O-N 2.8Å; L1620-L1622 HydrophobicContact CB-CD1 4.07Å; L1620-L1622 HydrophobicContact CB-CG 4.1Å; L1620-L1622 HydrophobicContact CD1-CD1 4.3Å; L1620-L1622 PolarHBondContact O-N 3.01Å; L1620-A1674 HydrophobicContact CD1-CB 3.58Å; L1620-D1794 CarbonylContact O-C 3.48Å; L1620-G1795 CarbonylContact O-C 3.52Å; L1620-G1795 PolarHBondContact O-N 3.22Å; L1620-G1796 VanDerWaalsContact C-N 3.26Å; L1620-G1796 PolarHBondContact O-N 2.03Å |
| 1621 | G | 91.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.1 | 31.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | H1617 S1642 M1643 | H1617-G1621 PolarHBondContact O-N 3.48Å; G1621-S1642 CarbonylContact O-C 3.48Å; G1621-S1642 VanDerWaalsContact O-CA 3.27Å; G1621-S1642 WeakPolarHBondContact O-CA 3.13Å; G1621-M1643 PolarHBondContact O-N 3.04Å |
| 1622 | L | 94.4 | Very high | 87.1 | Confident | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 144.6 | 179.5 | -65.9 | 174.6 | 0 | 0 | 0 | 111.7 | H1617 L1620 Y1624 V1640 A1641 M1643 T1702 R1704 D1794 | H1617-L1622 HydrophobicContact CB-CB 4.3Å; H1617-L1622 PolarHBondContact N-O 3.3Å; H1617-L1622 PolarHBondContact O-N 2.74Å; L1620-L1622 HydrophobicContact CB-CD1 4.07Å; L1620-L1622 HydrophobicContact CB-CG 4.1Å; L1620-L1622 HydrophobicContact CD1-CD1 4.3Å; L1620-L1622 PolarHBondContact O-N 3.01Å; L1622-Y1624 HydrophobicContact CB-CE2 3.87Å; L1622-Y1624 WeakPolarHBondContact CD1-OH 3.37Å; L1622-V1640 HydrophobicContact CB-CG2 4.3Å; L1622-V1640 HydrophobicContact CD1-CG2 4.3Å; L1622-V1640 HydrophobicContact CD2-CG2 4.19Å; L1622-A1641 CarbonylContact C-O 3.58Å; L1622-A1641 VanDerWaalsContact CA-O 3.31Å; L1622-A1641 WeakPolarHBondContact CA-O 3.14Å; L1622-A1641 WeakPolarHBondContact CD2-O 3.44Å; L1622-M1643 WeakPolarHBondContact O-CE 3.1Å; L1622-T1702 WeakPolarHBondContact CD1-O 3.48Å; L1622-R1704 HydrophobicContact CD1-CG 4.26Å; L1622-D1794 HydrophobicContact CD2-CB 4.49Å |
| 1623 | M | 94.1 | Very high | 86.1 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 143.4 | 165.4 | 67 | 176.6 | 169.1 | 0 | 0 | 110.8 | F1574 I1583 L1597 L1600 L1616 W1625 V1640 A1641 S1642 M1643 | F1574-M1623 HydrophobicContact CD1-SD 4.5Å; F1574-M1623 HydrophobicContact CE1-SD 4.46Å; I1583-M1623 HydrophobicContact CD1-SD 4.36Å; L1597-M1623 HydrophobicContact CD1-CE 4.08Å; L1597-M1623 HydrophobicContact CD1-SD 4.18Å; L1600-M1623 HydrophobicContact CD1-CE 4.03Å; L1600-M1623 HydrophobicContact CD2-CE 3.84Å; L1616-M1623 HydrophobicContact CD2-CB 3.36Å; M1623-W1625 HydrophobicContact CE-CZ3 4.07Å; M1623-W1625 HydrophobicContact CG-CE3 4.05Å; M1623-W1625 HydrophobicContact CG-CZ3 3.87Å; M1623-W1625 HydrophobicContact SD-CE3 4.5Å; M1623-W1625 HydrophobicContact SD-CZ3 4.42Å; M1623-V1640 WeakPolarHBondContact O-CA 3.42Å; M1623-A1641 HydrophobicContact CE-CB 4.17Å; M1623-A1641 HydrophobicContact CG-CB 4.48Å; M1623-A1641 PolarHBondContact N-O 2.85Å; M1623-A1641 PolarHBondContact O-N 2.9Å; M1623-S1642 WeakPolarHBondContact CE-O 3.43Å; M1623-M1643 HydrophobicContact CB-CG 4.41Å |
| 1624 | Y | 96.4 | Very high | 85 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 130.2 | 178.5 | -54.6 | -100.6 | 0 | 0 | 0 | 108 | L1614 A1615 H1617 L1622 Q1639 V1640 L1651 I1663 L1677 L1699 G1703 | L1614-Y1624 CarbonylContact C-O 3.57Å; L1614-Y1624 WeakPolarHBondContact CA-O 3.43Å; A1615-Y1624 PolarHBondContact N-O 2.71Å; A1615-Y1624 PolarHBondContact O-N 3.34Å; H1617-Y1624 HydrophobicContact CB-CE2 3.94Å; L1622-Y1624 HydrophobicContact CB-CE2 3.87Å; L1622-Y1624 WeakPolarHBondContact CD1-OH 3.37Å; Y1624-Q1639 WeakPolarHBondContact CA-O 3.32Å; Y1624-V1640 HydrophobicContact CD1-CB 3.81Å; Y1624-V1640 HydrophobicContact CD1-CG2 3.68Å; Y1624-V1640 HydrophobicContact CE1-CB 3.92Å; Y1624-V1640 HydrophobicContact CE1-CG2 3.42Å; Y1624-V1640 VanDerWaalsContact CE1-CG2 3.42Å; Y1624-V1640 HydrophobicContact CE2-CG2 4.44Å; Y1624-V1640 HydrophobicContact CG-CG2 4.33Å; Y1624-L1651 HydrophobicContact CD1-CD2 3.77Å; Y1624-L1651 HydrophobicContact CE1-CD2 3.81Å; Y1624-I1663 HydrophobicContact CD2-CD1 4.09Å; Y1624-I1663 HydrophobicContact CE2-CD1 3.65Å; Y1624-L1677 HydrophobicContact CD1-CD2 4.04Å; Y1624-L1677 HydrophobicContact CG-CD1 4.44Å; Y1624-L1699 HydrophobicContact CE1-CD1 4.31Å; Y1624-G1703 WeakPolarHBondContact CE1-O 3.33Å; Y1624-G1703 PolarHBondContact OH-O 2.68Å |
| 1625 | W | 95 | Very high | 84 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 151.5 | 173.4 | 67.5 | 104.4 | 0 | 0 | 0 | 111.1 | L1600 S1602 F1611 G1613 L1614 M1623 I1638 Q1639 A1641 E1648 | L1600-W1625 HydrophobicContact CD1-CZ2 4.38Å; L1600-W1625 HydrophobicContact CD2-CH2 3.71Å; L1600-W1625 HydrophobicContact CD2-CZ2 4.01Å; S1602-W1625 PolarHBondContact OG-NE1 2.74Å; F1611-W1625 AromaticContact CD2-CD1 3.99Å; F1611-W1625 HydrophobicContact CE2-CB 3.58Å; F1611-W1625 AromaticContact CE2-CD1 3.51Å; F1611-W1625 AromaticContact CE2-CG 3.75Å; F1611-W1625 HydrophobicContact CE2-CG 3.75Å; F1611-W1625 HydrophobicContact CZ-CB 3.54Å; F1611-W1625 HydrophobicContact CZ-CG 4.23Å; G1613-W1625 VanDerWaalsContact O-CA 3.23Å; G1613-W1625 WeakPolarHBondContact O-CA 3.48Å; G1613-W1625 WeakPolarHBondContact O-CB 3.38Å; L1614-W1625 HydrophobicContact CD1-CB 4.08Å; M1623-W1625 HydrophobicContact CE-CZ3 4.07Å; M1623-W1625 HydrophobicContact CG-CE3 4.05Å; M1623-W1625 HydrophobicContact CG-CZ3 3.87Å; M1623-W1625 HydrophobicContact SD-CE3 4.5Å; M1623-W1625 HydrophobicContact SD-CZ3 4.42Å; W1625-I1638 WeakPolarHBondContact O-CA 3.2Å; W1625-Q1639 HydrophobicContact CD2-CB 3.86Å; W1625-Q1639 HydrophobicContact CE3-CB 4.18Å; W1625-Q1639 HydrophobicContact CG-CB 4.48Å; W1625-Q1639 HydrophobicContact CH2-CB 3.88Å; W1625-Q1639 HydrophobicContact CZ2-CB 3.53Å; W1625-Q1639 HydrophobicContact CZ2-CG 4.12Å; W1625-Q1639 HydrophobicContact CZ3-CB 4.18Å; W1625-Q1639 PolarHBondContact N-O 3.4Å; W1625-Q1639 VanDerWaalsContact N-O 3.16Å; W1625-Q1639 PolarHBondContact O-N 3.36Å; W1625-A1641 HydrophobicContact CH2-CB 3.69Å; W1625-A1641 HydrophobicContact CZ3-CB 3.65Å; W1625-E1648 HydrophobicContact CH2-CB 4.5Å; W1625-E1648 HydrophobicContact CH2-CG 3.81Å; W1625-E1648 HydrophobicContact CZ2-CG 4.05Å |
| 1626 | A | 94.2 | Very high | 83.6 | Confident | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.008 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 131.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110 | A1612 G1613 T1637 I1638 P1658 | A1612-A1626 HydrophobicContact CB-CB 4.1Å; A1612-A1626 PolarHBondContact N-O 2.92Å; G1613-A1626 PolarHBondContact O-N 2.93Å; A1626-T1637 WeakPolarHBondContact CA-O 3.35Å; A1626-I1638 HydrophobicContact CB-CG1 4.26Å; A1626-P1658 HydrophobicContact CB-CB 3.66Å; A1626-P1658 HydrophobicContact CB-CG 3.79Å |
| 1627 | I | 90.9 | Very high | 83.5 | Confident | 3 Ų | 3 | 31.4 Ų | 31.4 | 2% | 0.015 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 155.5 | -177.4 | 41.4 | 159 | 0 | 0 | 0 | 110.2 | L1603 N1610 F1611 G1636 T1637 Q1639 | L1603-I1627 HydrophobicContact CD2-CG2 3.98Å; N1610-I1627 CarbonylContact O-C 3.09Å; N1610-I1627 WeakPolarHBondContact O-CA 3.36Å; F1611-I1627 HydrophobicContact CD2-CG2 4.35Å; I1627-G1636 CarbonylContact O-C 3.54Å; I1627-G1636 VanDerWaalsContact O-CA 3.24Å; I1627-G1636 WeakPolarHBondContact O-CA 3.43Å; I1627-T1637 VanDerWaalsContact CD1-OG1 3.32Å; I1627-T1637 WeakPolarHBondContact CD1-OG1 3.18Å; I1627-T1637 VanDerWaalsContact CG1-OG1 3.3Å; I1627-T1637 WeakPolarHBondContact CG1-OG1 3.1Å; I1627-T1637 PolarHBondContact N-O 3.49Å; I1627-T1637 PolarHBondContact O-N 2.78Å; I1627-Q1639 HydrophobicContact CD1-CG 3.67Å; I1627-Q1639 HydrophobicContact CG1-CG 3.97Å |
| 1628 | Y | 89.3 | Confident | 83.7 | Confident | 40 Ų | 40 | 31 Ų | 31 | 16% | 0.157 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 158.7 | 172.6 | 65.4 | -79.3 | 0 | 0 | 0 | 112 | Q1609 N1610 P1634 E1657 P1658 | Q1609-Y1628 WeakPolarHBondContact CA-O 3.46Å; N1610-Y1628 HydrophobicContact CB-CD1 3.95Å; N1610-Y1628 HydrophobicContact CB-CD2 4.28Å; N1610-Y1628 HydrophobicContact CB-CE1 3.43Å; N1610-Y1628 VanDerWaalsContact CB-CE1 3.43Å; N1610-Y1628 HydrophobicContact CB-CE2 3.81Å; N1610-Y1628 HydrophobicContact CB-CG 4.35Å; N1610-Y1628 PolarHBondContact N-O 3.24Å; N1610-Y1628 WeakPolarHBondContact O-CD1 3.45Å; N1610-Y1628 PolarHBondContact O-N 3.12Å; Y1628-P1634 HydrophobicContact CD2-CB 3.99Å; Y1628-E1657 HydrophobicContact CD1-CG 4.27Å; Y1628-E1657 HydrophobicContact CD2-CG 4.18Å; Y1628-E1657 HydrophobicContact CE1-CG 4.04Å; Y1628-E1657 HydrophobicContact CE2-CG 3.95Å; Y1628-E1657 HydrophobicContact CG-CG 4.34Å; Y1628-P1658 HydrophobicContact CD1-CG 4.14Å |
| 1629 | T | 79.1 | Confident | 83.9 | Confident | 41 Ų | 41 | 31.2 Ų | 31.2 | 25% | 0.252 | 16% | 0.155 | S | C | . | . | trans | -94.7 | 141.1 | 169.5 | 58.3 | 0 | 0 | 0 | 0 | 110.1 | P1634 | T1629-P1634 WeakPolarHBondContact O-CA 3.32Å; T1629-P1634 WeakPolarHBondContact O-CB 3.37Å | ||
| 1630 | D | 67.9 | Low | 84.4 | Confident | 75 Ų | 75 | 29 Ų | 29 | 40% | 0.401 | 14% | 0.142 | S | C | . | . | trans | -65.3 | 148.3 | 171.6 | -70.8 | -42.7 | 0 | 0 | 0 | 112.5 | N1610 | N1610-D1630 PolarHBondContact ND2-OD1 3.37Å; N1610-D1630 PolarHBondContact ND2-OD2 3.3Å | ||
| 1631 | G | 66.5 | Low | 84.6 | Confident | 25 Ų | 25 | 27.7 Ų | 27.7 | 26% | 0.258 | 14% | 0.135 | S | C | . | . | S | Bend | trans | 158.3 | 175.2 | 179 | 0 | 0 | 0 | 0 | 0 | 113.3 | R958 R1633 | R958-G1631 PolarHBondContact NH1-O 2.91Å; G1631-R1633 VanDerWaalsContact C-N 3.28Å; G1631-R1633 PolarHBondContact O-N 2.91Å |
| 1632 | W | 58.3 | Low | 84.7 | Confident | 98 Ų | 98 | 27.8 Ų | 27.8 | 37% | 0.371 | 14% | 0.135 | S | C | . | . | S | Bend | trans | -62.9 | -36.8 | 176.7 | -171.6 | 79.4 | 0 | 0 | 0 | 111.8 | E956 R958 | E956-W1632 PolarHBondContact OE2-NE1 3.43Å; R958-W1632 PolarHBondContact NH1-O 3.45Å |
| 1633 | R | 63.7 | Low | 84.6 | Confident | 154 Ų | 154 | 27.8 Ų | 27.8 | 58% | 0.581 | 14% | 0.135 | S | C | * | . | S | Bend | trans | -117 | 93.2 | 166.9 | -73.8 | 177.1 | -178.4 | 157 | 3.6 | 109.8 | G1631 N1635 | G1631-R1633 VanDerWaalsContact C-N 3.28Å; G1631-R1633 PolarHBondContact O-N 2.91Å; R1633-N1635 PolarHBondContact O-N 3.13Å |
| 1634 | P | 65.1 | Low | 84.3 | Confident | 14 Ų | 14 | 28.2 Ų | 28.2 | 9% | 0.091 | 14% | 0.138 | C | C | . | . | trans | -67.1 | 121.9 | 177 | 25.6 | -31.8 | 0 | 0 | 0 | 110.3 | Y1628 T1629 G1636 G1656 E1657 | Y1628-P1634 HydrophobicContact CD2-CB 3.99Å; T1629-P1634 WeakPolarHBondContact O-CA 3.32Å; T1629-P1634 WeakPolarHBondContact O-CB 3.37Å; P1634-G1636 PolarHBondContact O-N 3.26Å; P1634-G1656 CarbonylContact O-C 3.5Å; P1634-G1656 WeakPolarHBondContact O-CA 3.4Å; P1634-E1657 HydrophobicContact CB-CB 4.29Å; P1634-E1657 HydrophobicContact CG-CB 3.81Å | ||
| 1635 | N | 74.2 | Confident | 83.8 | Confident | 99 Ų | 99 | 28.8 Ų | 28.8 | 53% | 0.529 | 15% | 0.145 | S | C | . | . | trans | -87.6 | 91.9 | 175.3 | -79.4 | -28.7 | 0 | 0 | 0 | 109.1 | R1633 | R1633-N1635 PolarHBondContact O-N 3.13Š| ||
| 1636 | G | 85.9 | Confident | 83.4 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 148.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | I1627 P1634 Q1653 L1654 G1656 | I1627-G1636 CarbonylContact O-C 3.54Å; I1627-G1636 VanDerWaalsContact O-CA 3.24Å; I1627-G1636 WeakPolarHBondContact O-CA 3.43Å; P1634-G1636 PolarHBondContact O-N 3.26Å; G1636-Q1653 PolarHBondContact O-NE2 3.08Å; G1636-L1654 WeakPolarHBondContact O-CA 3.5Å; G1636-L1654 WeakPolarHBondContact O-CB 3.34Å; G1636-L1654 PolarHBondContact O-N 2.77Å; G1636-G1656 WeakPolarHBondContact CA-O 3.3Å; G1636-G1656 PolarHBondContact N-O 2.83Å |
| 1637 | T | 91.9 | Very high | 83 | Confident | 16 Ų | 16 | 38.3 Ų | 38.3 | 10% | 0.098 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 149 | 165.8 | 60.8 | 0 | 0 | 0 | 0 | 110.2 | A1626 I1627 Q1639 Q1650 L1652 | A1626-T1637 WeakPolarHBondContact CA-O 3.35Å; I1627-T1637 VanDerWaalsContact CD1-OG1 3.32Å; I1627-T1637 WeakPolarHBondContact CD1-OG1 3.18Å; I1627-T1637 VanDerWaalsContact CG1-OG1 3.3Å; I1627-T1637 WeakPolarHBondContact CG1-OG1 3.1Å; I1627-T1637 PolarHBondContact N-O 3.49Å; I1627-T1637 PolarHBondContact O-N 2.78Å; T1637-Q1639 PolarHBondContact OG1-NE2 3.25Å; T1637-Q1650 HydrophobicContact CG2-CG 4.34Å; T1637-L1652 WeakPolarHBondContact CA-O 3.46Å |
| 1638 | I | 95.3 | Very high | 83 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 120.2 | 166.1 | -58.4 | 178.4 | 0 | 0 | 0 | 106.9 | W1625 A1626 L1651 L1652 L1654 I1661 L1677 W1679 | W1625-I1638 WeakPolarHBondContact O-CA 3.2Å; A1626-I1638 HydrophobicContact CB-CG1 4.26Å; I1638-L1651 HydrophobicContact CG2-CD2 4.29Å; I1638-L1651 WeakPolarHBondContact O-CB 3.37Å; I1638-L1651 PolarHBondContact O-N 2.78Å; I1638-L1652 HydrophobicContact CB-CB 4.36Å; I1638-L1652 PolarHBondContact N-O 3.32Å; I1638-L1652 PolarHBondContact O-N 2.99Å; I1638-L1654 HydrophobicContact CD1-CD1 4.38Å; I1638-L1654 HydrophobicContact CD1-CD2 4Å; I1638-L1654 HydrophobicContact CG1-CD1 4Å; I1638-L1654 HydrophobicContact CG1-CD2 4.08Å; I1638-L1654 HydrophobicContact CG1-CG 4.21Å; I1638-I1661 HydrophobicContact CD1-CD1 4.11Å; I1638-I1661 HydrophobicContact CG1-CD1 4.48Å; I1638-I1661 HydrophobicContact CG2-CD1 3.89Å; I1638-L1677 HydrophobicContact CG2-CD2 4.34Å; I1638-W1679 HydrophobicContact CD1-CB 4.31Å; I1638-W1679 HydrophobicContact CD1-CD2 3.68Å; I1638-W1679 HydrophobicContact CD1-CE3 3.86Å; I1638-W1679 HydrophobicContact CD1-CG 3.88Å; I1638-W1679 HydrophobicContact CD1-CZ3 4.46Å |
| 1639 | Q | 94.7 | Very high | 83 | Confident | 15 Ų | 15 | 42.2 Ų | 42.2 | 7% | 0.07 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 153.3 | 175.5 | -57.4 | -60.3 | -35.6 | 0 | 0 | 109.7 | Y1624 W1625 I1627 T1637 E1649 Q1650 | Y1624-Q1639 WeakPolarHBondContact CA-O 3.32Å; W1625-Q1639 HydrophobicContact CD2-CB 3.86Å; W1625-Q1639 HydrophobicContact CE3-CB 4.18Å; W1625-Q1639 HydrophobicContact CG-CB 4.48Å; W1625-Q1639 HydrophobicContact CH2-CB 3.88Å; W1625-Q1639 HydrophobicContact CZ2-CB 3.53Å; W1625-Q1639 HydrophobicContact CZ2-CG 4.12Å; W1625-Q1639 HydrophobicContact CZ3-CB 4.18Å; W1625-Q1639 PolarHBondContact N-O 3.4Å; W1625-Q1639 VanDerWaalsContact N-O 3.16Å; W1625-Q1639 PolarHBondContact O-N 3.36Å; I1627-Q1639 HydrophobicContact CD1-CG 3.67Å; I1627-Q1639 HydrophobicContact CG1-CG 3.97Å; T1637-Q1639 PolarHBondContact OG1-NE2 3.25Å; Q1639-E1649 WeakPolarHBondContact CA-O 3.49Å; Q1639-E1649 VanDerWaalsContact OE1-C 3.27Å; Q1639-E1649 PolarHBondContact OE1-O 3.13Å; Q1639-Q1650 VanDerWaalsContact OE1-CA 3.23Å |
| 1640 | V | 95.4 | Very high | 83.7 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 134 | 171.4 | 62.3 | 0 | 0 | 0 | 0 | 110.1 | L1622 M1623 Y1624 E1648 E1649 L1651 R1704 | L1622-V1640 HydrophobicContact CB-CG2 4.3Å; L1622-V1640 HydrophobicContact CD1-CG2 4.3Å; L1622-V1640 HydrophobicContact CD2-CG2 4.19Å; M1623-V1640 WeakPolarHBondContact O-CA 3.42Å; Y1624-V1640 HydrophobicContact CD1-CB 3.81Å; Y1624-V1640 HydrophobicContact CD1-CG2 3.68Å; Y1624-V1640 HydrophobicContact CE1-CB 3.92Å; Y1624-V1640 HydrophobicContact CE1-CG2 3.42Å; Y1624-V1640 VanDerWaalsContact CE1-CG2 3.42Å; Y1624-V1640 HydrophobicContact CE2-CG2 4.44Å; Y1624-V1640 HydrophobicContact CG-CG2 4.33Å; V1640-E1648 WeakPolarHBondContact O-CA 3.14Å; V1640-E1649 HydrophobicContact CG1-CG 3.57Å; V1640-E1649 WeakPolarHBondContact CG1-OE1 3.35Å; V1640-E1649 PolarHBondContact N-O 3.22Å; V1640-E1649 PolarHBondContact O-N 3.48Å; V1640-L1651 HydrophobicContact CB-CB 4.31Å; V1640-L1651 HydrophobicContact CG1-CB 3.86Å; V1640-L1651 HydrophobicContact CG1-CD1 4.39Å; V1640-R1704 HydrophobicContact CG1-CG 4.31Å; V1640-R1704 PolarHBondContact O-NH1 3.17Å |
| 1641 | A | 93.7 | Very high | 84.9 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 170.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110 | L1622 M1623 W1625 E1648 | L1622-A1641 CarbonylContact C-O 3.58Å; L1622-A1641 VanDerWaalsContact CA-O 3.31Å; L1622-A1641 WeakPolarHBondContact CA-O 3.14Å; L1622-A1641 WeakPolarHBondContact CD2-O 3.44Å; M1623-A1641 HydrophobicContact CE-CB 4.17Å; M1623-A1641 HydrophobicContact CG-CB 4.48Å; M1623-A1641 PolarHBondContact N-O 2.85Å; M1623-A1641 PolarHBondContact O-N 2.9Å; W1625-A1641 HydrophobicContact CH2-CB 3.69Å; W1625-A1641 HydrophobicContact CZ3-CB 3.65Å; A1641-E1648 HydrophobicContact CB-CB 4.05Å |
| 1642 | S | 91.9 | Very high | 86.1 | Confident | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.007 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 156.5 | 161.8 | 67.4 | 0 | 0 | 0 | 0 | 111 | G1621 M1623 S1644 G1645 E1646 | G1621-S1642 CarbonylContact O-C 3.48Å; G1621-S1642 VanDerWaalsContact O-CA 3.27Å; G1621-S1642 WeakPolarHBondContact O-CA 3.13Å; M1623-S1642 WeakPolarHBondContact CE-O 3.43Å; S1642-S1644 PolarHBondContact O-N 3.3Å; S1642-S1644 PolarHBondContact OG-OG 2.97Å; S1642-G1645 PolarHBondContact O-N 2.69Å; S1642-E1646 WeakPolarHBondContact CB-O 3.44Å; S1642-E1646 PolarHBondContact N-O 2.74Å; S1642-E1646 WeakPolarHBondContact OG-CA 3.34Å; S1642-E1646 WeakPolarHBondContact OG-CB 3.39Å; S1642-E1646 PolarHBondContact OG-N 3.35Å; S1642-E1646 VanDerWaalsContact OG-N 3.13Å; S1642-E1646 PolarHBondContact OG-O 3.03Å |
| 1643 | M | 92.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -9.8 | -179.9 | -65.3 | -170.8 | -169 | 0 | 0 | 114.2 | D1567 F1574 L1616 G1621 L1622 M1623 P1792 | D1567-M1643 HydrophobicContact CB-CE 4.35Å; D1567-M1643 HydrophobicContact CB-SD 4.08Å; F1574-M1643 HydrophobicContact CE1-CB 4.16Å; F1574-M1643 WeakPolarHBondContact CE1-O 3.38Å; F1574-M1643 HydrophobicContact CE2-SD 4.27Å; F1574-M1643 HydrophobicContact CZ-CB 3.82Å; F1574-M1643 HydrophobicContact CZ-CG 4.25Å; F1574-M1643 HydrophobicContact CZ-SD 4.13Å; L1616-M1643 HydrophobicContact CB-CE 3.78Å; L1616-M1643 HydrophobicContact CD2-CE 4.01Å; L1616-M1643 HydrophobicContact CD2-CG 4.16Å; L1616-M1643 HydrophobicContact CD2-SD 4.17Å; L1616-M1643 HydrophobicContact CG-CE 4.31Å; G1621-M1643 PolarHBondContact O-N 3.04Å; L1622-M1643 WeakPolarHBondContact O-CE 3.1Å; M1623-M1643 HydrophobicContact CB-CG 4.41Å; M1643-P1792 HydrophobicContact CB-CG 4.28Å; M1643-P1792 WeakPolarHBondContact CB-O 3.39Å; M1643-P1792 HydrophobicContact CE-CG 4.41Å; M1643-P1792 HydrophobicContact CG-CG 4.25Å; M1643-P1792 HydrophobicContact SD-CG 3.51Å; M1643-P1792 VanDerWaalsContact SD-CG 3.51Å |
| 1644 | S | 87.6 | Confident | 88.8 | Confident | 9 Ų | 9 | 35.4 Ų | 35.4 | 6% | 0.063 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -6 | 171.1 | 59.3 | 0 | 0 | 0 | 0 | 114.2 | L1597 S1642 N1793 | L1597-S1644 VanDerWaalsContact CD2-C 3.47Å; L1597-S1644 VanDerWaalsContact CD2-O 3.29Å; L1597-S1644 WeakPolarHBondContact CD2-O 3.36Å; S1642-S1644 PolarHBondContact O-N 3.3Å; S1642-S1644 PolarHBondContact OG-OG 2.97Å; S1644-N1793 VanDerWaalsContact CB-OD1 3.25Å; S1644-N1793 WeakPolarHBondContact CB-OD1 3.01Å; S1644-N1793 PolarHBondContact OG-OD1 2.04Å |
| 1645 | G | 86.3 | Confident | 89.6 | Confident | 13 Ų | 13 | 39.5 Ų | 39.5 | 13% | 0.134 | 21% | 0.205 | C | C | . | . | S | Bend | trans | 89.6 | -5.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | S1642 | S1642-G1645 PolarHBondContact O-N 2.69Š|
| 1646 | E | 86 | Confident | 90 | Very high | 94 Ų | 94 | 34.9 Ų | 34.9 | 44% | 0.439 | 18% | 0.181 | S | C | . | . | trans | -76.5 | 153.5 | 177.9 | -61.4 | 168.2 | -158.2 | 0 | 0 | 111.7 | S1642 T1800 | S1642-E1646 WeakPolarHBondContact CB-O 3.44Å; S1642-E1646 PolarHBondContact N-O 2.74Å; S1642-E1646 WeakPolarHBondContact OG-CA 3.34Å; S1642-E1646 WeakPolarHBondContact OG-CB 3.39Å; S1642-E1646 PolarHBondContact OG-N 3.35Å; S1642-E1646 VanDerWaalsContact OG-N 3.13Å; S1642-E1646 PolarHBondContact OG-O 3.03Å; E1646-T1800 PolarHBondContact OE1-OG1 3.3Å; E1646-T1800 VanDerWaalsContact OE1-OG1 3.13Å | ||
| 1647 | N | 87.3 | Confident | 90.1 | Very high | 107 Ų | 107 | 36.9 Ų | 36.9 | 57% | 0.572 | 19% | 0.191 | S | C | * | . | S | Bend | trans | 55.9 | 49.2 | 177.6 | -55.1 | -29.3 | 0 | 0 | 0 | 113.2 | R1704 | N1647-R1704 VanDerWaalsContact O-CZ 3.28Å; N1647-R1704 PolarHBondContact O-NH1 3.28Å; N1647-R1704 PolarHBondContact O-NH2 3.4Å |
| 1648 | E | 90.5 | Very high | 90 | Very high | 46 Ų | 46 | 36.2 Ų | 36.2 | 22% | 0.215 | 19% | 0.187 | C | C | . | . | trans | -68.4 | 132.6 | 170.5 | 179 | 178.4 | 161.9 | 0 | 0 | 111.7 | L1600 H1601 S1602 W1625 V1640 A1641 | L1600-E1648 VanDerWaalsContact CA-OE2 3.26Å; L1600-E1648 WeakPolarHBondContact CA-OE2 3.47Å; L1600-E1648 WeakPolarHBondContact CD2-OE2 3.43Å; H1601-E1648 PolarHBondContact N-OE2 2.91Å; S1602-E1648 WeakPolarHBondContact CB-OE1 3.31Å; S1602-E1648 PolarHBondContact N-OE1 3.24Å; S1602-E1648 PolarHBondContact OG-OE1 3.03Å; W1625-E1648 HydrophobicContact CH2-CB 4.5Å; W1625-E1648 HydrophobicContact CH2-CG 3.81Å; W1625-E1648 HydrophobicContact CZ2-CG 4.05Å; V1640-E1648 WeakPolarHBondContact O-CA 3.14Å; A1641-E1648 HydrophobicContact CB-CB 4.05Å | ||
| 1649 | E | 90 | Very high | 89.7 | Confident | 79 Ų | 79 | 37.1 Ų | 37.1 | 37% | 0.369 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 159.1 | 171.4 | 77.1 | -164.4 | 155.7 | 0 | 0 | 111.2 | Q1639 V1640 L1651 R1704 | Q1639-E1649 WeakPolarHBondContact CA-O 3.49Å; Q1639-E1649 VanDerWaalsContact OE1-C 3.27Å; Q1639-E1649 PolarHBondContact OE1-O 3.13Å; V1640-E1649 HydrophobicContact CG1-CG 3.57Å; V1640-E1649 WeakPolarHBondContact CG1-OE1 3.35Å; V1640-E1649 PolarHBondContact N-O 3.22Å; V1640-E1649 PolarHBondContact O-N 3.48Å; E1649-L1651 PolarHBondContact O-N 3.37Å; E1649-R1704 WeakPolarHBondContact OE1-CB 3.09Å; E1649-R1704 WeakPolarHBondContact OE1-CD 3.28Å; E1649-R1704 WeakPolarHBondContact OE1-CG 3.48Å; E1649-R1704 IonicContact OE1-CZ 2.67Å; E1649-R1704 IonicContact OE1-NE 3.42Å; E1649-R1704 IonicContact OE1-NH1 3.58Å; E1649-R1704 PolarHBondContact OE1-NH1 3.17Å |
| 1650 | Q | 92.2 | Very high | 89.4 | Confident | 96 Ų | 96 | 36.7 Ų | 36.7 | 45% | 0.449 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 112.5 | 172.3 | -179.6 | 177.3 | -22.3 | 0 | 0 | 110.4 | T1637 Q1639 | T1637-Q1650 HydrophobicContact CG2-CG 4.34Å; Q1639-Q1650 VanDerWaalsContact OE1-CA 3.23Å |
| 1651 | L | 93 | Very high | 89.3 | Confident | 22 Ų | 22 | 37.4 Ų | 37.4 | 12% | 0.115 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | -43 | 176.2 | -179.4 | 67 | 0 | 0 | 0 | 112.1 | Y1624 I1638 V1640 E1649 L1677 L1699 R1704 I1706 | Y1624-L1651 HydrophobicContact CD1-CD2 3.77Å; Y1624-L1651 HydrophobicContact CE1-CD2 3.81Å; I1638-L1651 HydrophobicContact CG2-CD2 4.29Å; I1638-L1651 WeakPolarHBondContact O-CB 3.37Å; I1638-L1651 PolarHBondContact O-N 2.78Å; V1640-L1651 HydrophobicContact CB-CB 4.31Å; V1640-L1651 HydrophobicContact CG1-CB 3.86Å; V1640-L1651 HydrophobicContact CG1-CD1 4.39Å; E1649-L1651 PolarHBondContact O-N 3.37Å; L1651-L1677 HydrophobicContact CD2-CD2 3.7Å; L1651-L1699 HydrophobicContact CD2-CD2 4.14Å; L1651-R1704 VanDerWaalsContact CD1-C 3.44Å; L1651-R1704 WeakPolarHBondContact CD1-O 3.33Å; L1651-I1706 HydrophobicContact CD1-CD1 4.46Å; L1651-I1706 HydrophobicContact CD1-CG1 4.14Å; L1651-I1706 HydrophobicContact CD2-CD1 4.4Å; L1651-I1706 HydrophobicContact CG-CD1 4.03Å; L1651-I1706 HydrophobicContact CG-CG1 4.21Å |
| 1652 | L | 91.6 | Very high | 89.3 | Confident | 34 Ų | 34 | 37.9 Ų | 37.9 | 18% | 0.178 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 136.3 | -174.3 | -172.9 | 62.2 | 0 | 0 | 0 | 112.4 | T1637 I1638 L1654 W1679 I1706 | T1637-L1652 WeakPolarHBondContact CA-O 3.46Å; I1638-L1652 HydrophobicContact CB-CB 4.36Å; I1638-L1652 PolarHBondContact N-O 3.32Å; I1638-L1652 PolarHBondContact O-N 2.99Å; L1652-L1654 HydrophobicContact CD2-CD2 3.72Å; L1652-L1654 HydrophobicContact CG-CD2 3.99Å; L1652-W1679 HydrophobicContact CD2-CH2 3.26Å; L1652-W1679 HydrophobicContact CD2-CZ2 3.31Å; L1652-W1679 HydrophobicContact CD2-CZ3 4.11Å; L1652-I1706 HydrophobicContact CB-CD1 3.83Å; L1652-I1706 HydrophobicContact CD1-CD1 4Å; L1652-I1706 HydrophobicContact CD2-CD1 3.86Å; L1652-I1706 HydrophobicContact CG-CD1 4.1Å |
| 1653 | Q | 90.2 | Very high | 89.2 | Confident | 94 Ų | 94 | 38.9 Ų | 38.9 | 44% | 0.439 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 126.8 | 163.9 | -172.6 | 65.9 | 52.6 | 0 | 0 | 109.7 | G1636 | G1636-Q1653 PolarHBondContact O-NE2 3.08Å |
| 1654 | L | 90.3 | Very high | 88.9 | Confident | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | trans | -96.1 | 158.2 | 173 | -50.4 | -175 | 0 | 0 | 0 | 110.8 | G1636 I1638 L1652 P1658 W1679 | G1636-L1654 WeakPolarHBondContact O-CA 3.5Å; G1636-L1654 WeakPolarHBondContact O-CB 3.34Å; G1636-L1654 PolarHBondContact O-N 2.77Å; I1638-L1654 HydrophobicContact CD1-CD1 4.38Å; I1638-L1654 HydrophobicContact CD1-CD2 4Å; I1638-L1654 HydrophobicContact CG1-CD1 4Å; I1638-L1654 HydrophobicContact CG1-CD2 4.08Å; I1638-L1654 HydrophobicContact CG1-CG 4.21Å; L1652-L1654 HydrophobicContact CD2-CD2 3.72Å; L1652-L1654 HydrophobicContact CG-CD2 3.99Å; L1654-P1658 HydrophobicContact CD1-CB 3.72Å; L1654-P1658 HydrophobicContact CD1-CG 3.98Å; L1654-W1679 HydrophobicContact CD2-CZ2 4.01Å | ||
| 1655 | T | 81.3 | Confident | 88.6 | Confident | 99 Ų | 99 | 41.2 Ų | 41.2 | 61% | 0.607 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -103.1 | 23.2 | 179.3 | 57.1 | 0 | 0 | 0 | 0 | 112.6 | Q1681 | T1655-Q1681 PolarHBondContact OG1-NE2 2.85Š|
| 1656 | G | 83 | Confident | 87.8 | Confident | 2 Ų | 2 | 42.6 Ų | 42.6 | 2% | 0.021 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 179.5 | -175.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | P1634 G1636 P1658 R1682 | P1634-G1656 CarbonylContact O-C 3.5Å; P1634-G1656 WeakPolarHBondContact O-CA 3.4Å; G1636-G1656 WeakPolarHBondContact CA-O 3.3Å; G1636-G1656 PolarHBondContact N-O 2.83Å; G1656-P1658 WeakPolarHBondContact O-CD 3.11Å; G1656-R1682 VanDerWaalsContact CA-O 3.29Å; G1656-R1682 WeakPolarHBondContact CA-O 3.37Å |
| 1657 | E | 87.1 | Confident | 86.6 | Confident | 43 Ų | 43 | 42.1 Ų | 42.1 | 20% | 0.201 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 116.9 | -179 | 177.5 | -169.9 | 172.1 | 0 | 0 | 110.5 | Y1628 P1634 L1659 Q1681 R1682 | Y1628-E1657 HydrophobicContact CD1-CG 4.27Å; Y1628-E1657 HydrophobicContact CD2-CG 4.18Å; Y1628-E1657 HydrophobicContact CE1-CG 4.04Å; Y1628-E1657 HydrophobicContact CE2-CG 3.95Å; Y1628-E1657 HydrophobicContact CG-CG 4.34Å; P1634-E1657 HydrophobicContact CB-CB 4.29Å; P1634-E1657 HydrophobicContact CG-CB 3.81Å; E1657-L1659 HydrophobicContact CG-CD2 4.5Å; E1657-Q1681 CarbonylContact O-C 3.5Å; E1657-Q1681 WeakPolarHBondContact O-CA 3.26Å; E1657-R1682 HydrophobicContact CB-CB 4.32Å; E1657-R1682 PolarHBondContact N-O 3.08Å; E1657-R1682 PolarHBondContact O-N 3Å |
| 1658 | P | 90.6 | Very high | 84.9 | Confident | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.013 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 147.2 | 172.7 | 24.4 | -25.6 | 0 | 0 | 0 | 111.4 | A1612 A1626 Y1628 L1654 G1656 M1680 | A1612-P1658 HydrophobicContact CB-CB 3.72Å; A1612-P1658 HydrophobicContact CB-CG 3.64Å; A1612-P1658 WeakPolarHBondContact CB-O 3.47Å; A1626-P1658 HydrophobicContact CB-CB 3.66Å; A1626-P1658 HydrophobicContact CB-CG 3.79Å; Y1628-P1658 HydrophobicContact CD1-CG 4.14Å; L1654-P1658 HydrophobicContact CD1-CB 3.72Å; L1654-P1658 HydrophobicContact CD1-CG 3.98Å; G1656-P1658 WeakPolarHBondContact O-CD 3.11Å; P1658-M1680 WeakPolarHBondContact CA-O 3.04Å |
| 1659 | L | 87.3 | Confident | 82.6 | Confident | 19 Ų | 19 | 45.2 Ų | 45.2 | 10% | 0.099 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | -43.2 | -178.4 | -60.5 | 176 | 0 | 0 | 0 | 113.1 | E1657 M1680 T1692 F1723 | E1657-L1659 HydrophobicContact CG-CD2 4.5Å; L1659-M1680 HydrophobicContact CB-CB 4.24Å; L1659-M1680 PolarHBondContact N-O 2.84Å; L1659-T1692 HydrophobicContact CD1-CG2 3.71Å; L1659-F1723 WeakPolarHBondContact O-CD1 2.83Å |
| 1660 | A | 89.3 | Confident | 80.3 | Confident | 7 Ų | 7 | 49.2 Ų | 49.2 | 6% | 0.058 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 153.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | W1679 M1680 M1725 | A1660-W1679 CarbonylContact O-C 3.57Å; A1660-W1679 WeakPolarHBondContact O-CA 3.34Å; A1660-W1679 WeakPolarHBondContact O-CB 3.27Å; A1660-M1680 PolarHBondContact O-N 2.85Å; A1660-M1725 HydrophobicContact CB-CE 4.06Å |
| 1661 | I | 93.6 | Very high | 78.4 | Confident | 14 Ų | 14 | 46.7 Ų | 46.7 | 7% | 0.072 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 141.4 | 178.6 | -165.7 | 170.6 | 0 | 0 | 0 | 109.7 | G1613 A1615 I1638 L1677 C1678 W1679 | G1613-I1661 VanDerWaalsContact C-CG2 3.42Å; A1615-I1661 HydrophobicContact CB-CG2 4.13Å; I1638-I1661 HydrophobicContact CD1-CD1 4.11Å; I1638-I1661 HydrophobicContact CG1-CD1 4.48Å; I1638-I1661 HydrophobicContact CG2-CD1 3.89Å; I1661-L1677 HydrophobicContact CD1-CD1 3.9Å; I1661-L1677 HydrophobicContact CD1-CD2 4.3Å; I1661-L1677 HydrophobicContact CD1-CG 4.29Å; I1661-L1677 HydrophobicContact CG1-CD1 3.82Å; I1661-L1677 HydrophobicContact CG1-CG 4.35Å; I1661-C1678 CarbonylContact C-O 3.57Å; I1661-C1678 WeakPolarHBondContact CA-O 3.12Å; I1661-W1679 HydrophobicContact CB-CB 4.43Å; I1661-W1679 HydrophobicContact CG1-CB 4.27Å |
| 1662 | S | 92.6 | Very high | 77.1 | Confident | 11 Ų | 11 | 50.9 Ų | 50.9 | 8% | 0.077 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 144.9 | 176.8 | 179 | 0 | 0 | 0 | 0 | 109.6 | C1678 T1726 Q1727 | S1662-C1678 PolarHBondContact N-O 2.94Å; S1662-C1678 PolarHBondContact O-N 2.92Å; S1662-T1726 WeakPolarHBondContact OG-CA 3.3Å; S1662-Q1727 PolarHBondContact O-NE2 2.87Å; S1662-Q1727 PolarHBondContact OG-N 2.78Å; S1662-Q1727 VanDerWaalsContact OG-N 3.14Å |
| 1663 | I | 90.7 | Very high | 76.4 | Confident | 21 Ų | 21 | 50 Ų | 50 | 11% | 0.108 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 139 | 178.9 | -165.8 | 170.8 | 0 | 0 | 0 | 111.6 | A1615 L1616 H1617 Y1624 L1677 L1699 | A1615-I1663 HydrophobicContact CB-CB 4.27Å; A1615-I1663 HydrophobicContact CB-CG2 3.98Å; L1616-I1663 VanDerWaalsContact O-CG2 3.32Å; L1616-I1663 WeakPolarHBondContact O-CG2 3.47Å; H1617-I1663 HydrophobicContact CB-CD1 4.09Å; Y1624-I1663 HydrophobicContact CD2-CD1 4.09Å; Y1624-I1663 HydrophobicContact CE2-CD1 3.65Å; I1663-L1677 HydrophobicContact CB-CD1 3.91Å; I1663-L1677 HydrophobicContact CD1-CD1 4.3Å; I1663-L1677 HydrophobicContact CG1-CD1 4.15Å; I1663-L1699 HydrophobicContact CD1-CD1 3.79Å; I1663-L1699 HydrophobicContact CG1-CD1 4.48Å |
| 1664 | S | 86.7 | Confident | 76.1 | Confident | 23 Ų | 23 | 45.9 Ų | 45.9 | 16% | 0.161 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 100.8 | 164.2 | -176.1 | 0 | 0 | 0 | 0 | 108.3 | G1675 K1676 Q1727 | S1664-G1675 CarbonylContact O-C 3.14Å; S1664-G1675 WeakPolarHBondContact O-CA 3.27Å; S1664-K1676 PolarHBondContact N-O 2.8Å; S1664-K1676 PolarHBondContact O-N 2.61Å; S1664-Q1727 VanDerWaalsContact CB-OE1 3.22Å |
| 1665 | P | 80.7 | Confident | 75.8 | Confident | 36 Ų | 36 | 46 Ų | 46 | 23% | 0.234 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.6 | 142 | 170.1 | -27.1 | 36.9 | 0 | 0 | 0 | 111.3 | A1674 | P1665-A1674 WeakPolarHBondContact CA-O 3.34Å |
| 1666 | A | 70.4 | Confident | 76.1 | Confident | 42 Ų | 42 | 44.6 Ų | 44.6 | 35% | 0.347 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 141 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | S1673 A1674 | A1666-S1673 WeakPolarHBondContact CB-O 3.38Å; A1666-A1674 PolarHBondContact N-O 3.4Å |
| 1667 | T | 60.7 | Low | 76.5 | Confident | 83 Ų | 83 | 44.6 Ų | 44.6 | 51% | 0.509 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 149.3 | 162.4 | 51.2 | 0 | 0 | 0 | 0 | 108.9 | V1669 | T1667-V1669 PolarHBondContact O-N 3.4Š|
| 1668 | P | 50.9 | Low | 76.9 | Confident | 103 Ų | 103 | 42.5 Ų | 42.5 | 67% | 0.669 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -67.6 | 20.6 | -172.6 | -23.4 | 35.4 | 0 | 0 | 0 | 117.1 | N1670 | P1668-N1670 PolarHBondContact O-N 3.27Š|
| 1669 | V | 42.2 | Very low | 77.1 | Confident | 116 Ų | 116 | 42.5 Ų | 42.5 | 70% | 0.703 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -83.1 | 75.4 | -172.7 | -168 | 0 | 0 | 0 | 0 | 110.6 | T1667 G1671 | T1667-V1669 PolarHBondContact O-N 3.4Å; V1669-G1671 PolarHBondContact O-N 3.1Å |
| 1670 | N | 42.4 | Very low | 77.3 | Confident | 162 Ų | 162 | 41.7 Ų | 41.7 | 87% | 0.866 | 26% | 0.257 | S | S | * | . | S | Bend | trans | 55.3 | 14.3 | 169 | -64.7 | -22.6 | 0 | 0 | 0 | 117.4 | P1668 | P1668-N1670 PolarHBondContact O-N 3.27Š|
| 1671 | G | 52.5 | Low | 77.4 | Confident | 44 Ų | 44 | 41.5 Ų | 41.5 | 45% | 0.454 | 26% | 0.256 | S | S | . | . | trans | -81.3 | 134.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114 | V1669 S1673 | V1669-G1671 PolarHBondContact O-N 3.1Å; G1671-S1673 PolarHBondContact O-N 2.91Å | ||
| 1672 | N | 65.9 | Low | 77.1 | Confident | 109 Ų | 109 | 44.1 Ų | 44.1 | 58% | 0.583 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -72.6 | 36.8 | 170.1 | -73.1 | -18.8 | 0 | 0 | 0 | 113.3 | Q1701 L1707 | N1672-Q1701 HydrophobicContact CB-CG 4.3Å; N1672-Q1701 PolarHBondContact OD1-NE2 2.83Å; N1672-L1707 WeakPolarHBondContact O-CD1 3.35Å |
| 1673 | S | 76.6 | Confident | 76.6 | Confident | 16 Ų | 16 | 43.9 Ų | 43.9 | 11% | 0.112 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -152.9 | 134 | -166.2 | -179.7 | 0 | 0 | 0 | 0 | 111.5 | A1666 G1671 G1675 R1698 L1699 | A1666-S1673 WeakPolarHBondContact CB-O 3.38Å; G1671-S1673 PolarHBondContact O-N 2.91Å; S1673-G1675 VanDerWaalsContact C-N 3.25Å; S1673-G1675 PolarHBondContact O-N 2.74Å; S1673-G1675 PolarHBondContact OG-N 2.9Å; S1673-G1675 PolarHBondContact OG-O 2.82Å; S1673-R1698 VanDerWaalsContact OG-CG 3.25Å; S1673-R1698 WeakPolarHBondContact OG-CG 3.49Å; S1673-R1698 PolarHBondContact OG-NE 2.85Å; S1673-L1699 WeakPolarHBondContact CA-O 3.46Å; S1673-L1699 VanDerWaalsContact CB-O 3.26Å; S1673-L1699 WeakPolarHBondContact CB-O 3.24Å; S1673-L1699 PolarHBondContact OG-O 3.49Å |
| 1674 | A | 83 | Confident | 75.6 | Confident | 7 Ų | 7 | 45.2 Ų | 45.2 | 6% | 0.058 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -73 | -15.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | H1617 L1620 P1665 A1666 L1699 G1700 | H1617-A1674 VanDerWaalsContact NE2-CA 3.34Å; H1617-A1674 WeakPolarHBondContact NE2-CA 3.41Å; H1617-A1674 VanDerWaalsContact NE2-CB 3.26Å; H1617-A1674 WeakPolarHBondContact NE2-CB 3.22Å; H1617-A1674 PolarHBondContact NE2-O 2.55Å; L1620-A1674 HydrophobicContact CD1-CB 3.58Å; P1665-A1674 WeakPolarHBondContact CA-O 3.34Å; A1666-A1674 PolarHBondContact N-O 3.4Å; A1674-L1699 HydrophobicContact CB-CB 4.05Å; A1674-L1699 PolarHBondContact N-O 3.28Å; A1674-G1700 WeakPolarHBondContact CB-O 3.36Å; A1674-G1700 PolarHBondContact N-O 3.44Å |
| 1675 | G | 84.4 | Confident | 74.5 | Confident | 7 Ų | 7 | 49.9 Ų | 49.9 | 7% | 0.072 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 143.6 | -163.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114 | S1664 S1673 L1699 | S1664-G1675 CarbonylContact O-C 3.14Å; S1664-G1675 WeakPolarHBondContact O-CA 3.27Å; S1673-G1675 VanDerWaalsContact C-N 3.25Å; S1673-G1675 PolarHBondContact O-N 2.74Å; S1673-G1675 PolarHBondContact OG-N 2.9Å; S1673-G1675 PolarHBondContact OG-O 2.82Å; G1675-L1699 PolarHBondContact O-N 2.86Å |
| 1676 | K | 87.5 | Confident | 73.4 | Confident | 70 Ų | 70 | 51 Ų | 51 | 30% | 0.304 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 119.8 | 179.1 | -170.3 | 173.8 | -177.6 | 171.5 | 0 | 110.2 | S1664 C1696 A1697 Q1727 | S1664-K1676 PolarHBondContact N-O 2.8Å; S1664-K1676 PolarHBondContact O-N 2.61Å; K1676-C1696 HydrophobicContact CD-CB 4.37Å; K1676-C1696 VanDerWaalsContact CE-SG 3.53Å; K1676-C1696 HydrophobicContact CG-CB 4.24Å; K1676-A1697 CarbonylContact C-O 3.5Å; K1676-A1697 WeakPolarHBondContact CA-O 3.32Å; K1676-Q1727 PolarHBondContact O-NE2 2.99Å |
| 1677 | L | 92.5 | Very high | 72.7 | Confident | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 125.3 | 173.5 | -173.8 | 67 | 0 | 0 | 0 | 108.1 | Y1624 I1638 L1651 I1661 I1663 C1696 A1697 L1699 | Y1624-L1677 HydrophobicContact CD1-CD2 4.04Å; Y1624-L1677 HydrophobicContact CG-CD1 4.44Å; I1638-L1677 HydrophobicContact CG2-CD2 4.34Å; L1651-L1677 HydrophobicContact CD2-CD2 3.7Å; I1661-L1677 HydrophobicContact CD1-CD1 3.9Å; I1661-L1677 HydrophobicContact CD1-CD2 4.3Å; I1661-L1677 HydrophobicContact CD1-CG 4.29Å; I1661-L1677 HydrophobicContact CG1-CD1 3.82Å; I1661-L1677 HydrophobicContact CG1-CG 4.35Å; I1663-L1677 HydrophobicContact CB-CD1 3.91Å; I1663-L1677 HydrophobicContact CD1-CD1 4.3Å; I1663-L1677 HydrophobicContact CG1-CD1 4.15Å; L1677-C1696 CarbonylContact O-C 3.49Å; L1677-C1696 WeakPolarHBondContact O-CA 3.38Å; L1677-A1697 PolarHBondContact N-O 2.84Å; L1677-A1697 PolarHBondContact O-N 3.47Å; L1677-L1699 HydrophobicContact CB-CD1 4.25Å; L1677-L1699 HydrophobicContact CB-CD2 4.07Å; L1677-L1699 HydrophobicContact CB-CG 4.15Å; L1677-L1699 HydrophobicContact CD2-CD2 4.27Å |
| 1678 | C | 94.3 | Very high | 72.1 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 142 | 177.6 | -64.5 | 0 | 0 | 0 | 0 | 110.1 | I1661 S1662 H1695 C1696 M1725 L1732 | I1661-C1678 CarbonylContact C-O 3.57Å; I1661-C1678 WeakPolarHBondContact CA-O 3.12Å; S1662-C1678 PolarHBondContact N-O 2.94Å; S1662-C1678 PolarHBondContact O-N 2.92Å; C1678-H1695 VanDerWaalsContact CA-O 3.31Å; C1678-H1695 WeakPolarHBondContact CA-O 3.19Å; C1678-C1696 HydrophobicContact CB-CB 4.14Å; C1678-C1696 WeakPolarHBondContact CB-SG 3.25Å; C1678-C1696 WeakPolarHBondContact SG-CB 3.2Å; C1678-C1696 CovalentContact SG-SG 2.04Å; C1678-C1696 PolarHBondContact SG-SG 3.1Å; C1678-M1725 WeakPolarHBondContact O-CE 3.48Å; C1678-L1732 HydrophobicContact CB-CD1 4.24Å; C1678-L1732 HydrophobicContact CB-CD2 4.45Å |
| 1679 | W | 94.4 | Very high | 72.6 | Confident | 1 Ų | 1 | 55.5 Ų | 55.5 | 0% | 0.004 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 154 | 176 | 68.2 | 97.5 | 0 | 0 | 0 | 111.1 | I1638 L1652 L1654 A1660 I1661 H1695 A1697 N1709 | I1638-W1679 HydrophobicContact CD1-CB 4.31Å; I1638-W1679 HydrophobicContact CD1-CD2 3.68Å; I1638-W1679 HydrophobicContact CD1-CE3 3.86Å; I1638-W1679 HydrophobicContact CD1-CG 3.88Å; I1638-W1679 HydrophobicContact CD1-CZ3 4.46Å; L1652-W1679 HydrophobicContact CD2-CH2 3.26Å; L1652-W1679 HydrophobicContact CD2-CZ2 3.31Å; L1652-W1679 HydrophobicContact CD2-CZ3 4.11Å; L1654-W1679 HydrophobicContact CD2-CZ2 4.01Å; A1660-W1679 CarbonylContact O-C 3.57Å; A1660-W1679 WeakPolarHBondContact O-CA 3.34Å; A1660-W1679 WeakPolarHBondContact O-CB 3.27Å; I1661-W1679 HydrophobicContact CB-CB 4.43Å; I1661-W1679 HydrophobicContact CG1-CB 4.27Å; W1679-H1695 HydrophobicContact CD2-CB 4.05Å; W1679-H1695 VanDerWaalsContact CE2-CB 3.49Å; W1679-H1695 HydrophobicContact CE3-CB 4.47Å; W1679-H1695 HydrophobicContact CH2-CB 3.91Å; W1679-H1695 HydrophobicContact CZ2-CB 3.41Å; W1679-H1695 VanDerWaalsContact CZ2-CB 3.41Å; W1679-H1695 HydrophobicContact CZ3-CB 4.41Å; W1679-H1695 PolarHBondContact N-O 3.09Å; W1679-H1695 PolarHBondContact O-N 2.92Å; W1679-A1697 HydrophobicContact CH2-CB 4.02Å; W1679-A1697 HydrophobicContact CZ3-CB 3.68Å; W1679-N1709 WeakPolarHBondContact CH2-OD1 3.35Å |
| 1680 | M | 92.6 | Very high | 73.9 | Confident | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 139.3 | 166.8 | -65.3 | -179 | -179.8 | 0 | 0 | 109.1 | P1658 L1659 A1660 E1693 L1694 F1715 P1721 M1725 W1734 | P1658-M1680 WeakPolarHBondContact CA-O 3.04Å; L1659-M1680 HydrophobicContact CB-CB 4.24Å; L1659-M1680 PolarHBondContact N-O 2.84Å; A1660-M1680 PolarHBondContact O-N 2.85Å; M1680-E1693 CarbonylContact C-O 3.58Å; M1680-E1693 WeakPolarHBondContact CA-O 3.41Å; M1680-L1694 HydrophobicContact CE-CD1 4.26Å; M1680-L1694 HydrophobicContact CG-CD1 3.9Å; M1680-F1715 HydrophobicContact CE-CE2 4.26Å; M1680-F1715 HydrophobicContact CE-CZ 3.92Å; M1680-F1715 HydrophobicContact CG-CE2 4.44Å; M1680-F1715 HydrophobicContact SD-CE2 4.31Å; M1680-F1715 HydrophobicContact SD-CZ 4.49Å; M1680-P1721 HydrophobicContact CE-CB 3.93Å; M1680-P1721 HydrophobicContact CE-CG 4.48Å; M1680-P1721 HydrophobicContact SD-CB 3.64Å; M1680-P1721 HydrophobicContact SD-CG 3.73Å; M1680-M1725 HydrophobicContact CE-CG 4.43Å; M1680-M1725 HydrophobicContact CE-SD 3.82Å; M1680-M1725 HydrophobicContact CG-SD 4.09Å; M1680-M1725 HydrophobicContact SD-SD 4.48Å; M1680-W1734 HydrophobicContact CE-CB 3.59Å; M1680-W1734 HydrophobicContact CE-CD2 4.25Å; M1680-W1734 HydrophobicContact CE-CG 3.55Å |
| 1681 | Q | 91 | Very high | 75.7 | Confident | 4 Ų | 4 | 47 Ų | 47 | 2% | 0.019 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 153 | 174.7 | 62.2 | 176.3 | 70.5 | 0 | 0 | 112 | T1655 E1657 S1683 T1692 E1693 | T1655-Q1681 PolarHBondContact OG1-NE2 2.85Å; E1657-Q1681 CarbonylContact O-C 3.5Å; E1657-Q1681 WeakPolarHBondContact O-CA 3.26Å; Q1681-S1683 PolarHBondContact NE2-OG 3.09Å; Q1681-T1692 CarbonylContact O-C 3.34Å; Q1681-T1692 WeakPolarHBondContact O-CA 3.15Å; Q1681-E1693 HydrophobicContact CG-CB 4.34Å; Q1681-E1693 PolarHBondContact N-O 2.72Å; Q1681-E1693 PolarHBondContact O-N 3.09Å |
| 1682 | R | 87 | Confident | 77.4 | Confident | 68 Ų | 68 | 45.5 Ų | 45.5 | 26% | 0.257 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 101.6 | 175.7 | -170.8 | 171.7 | -79 | -179.7 | -11.3 | 109 | G1656 E1657 L1690 V1691 E1720 | G1656-R1682 VanDerWaalsContact CA-O 3.29Å; G1656-R1682 WeakPolarHBondContact CA-O 3.37Å; E1657-R1682 HydrophobicContact CB-CB 4.32Å; E1657-R1682 PolarHBondContact N-O 3.08Å; E1657-R1682 PolarHBondContact O-N 3Å; R1682-L1690 HydrophobicContact CG-CB 4.37Å; R1682-V1691 CarbonylContact C-O 3.33Å; R1682-V1691 WeakPolarHBondContact CA-O 3.26Å; R1682-E1720 IonicContact CZ-OE1 3.36Å; R1682-E1720 IonicContact NH2-OE1 3.21Å; R1682-E1720 PolarHBondContact NH2-OE1 2.86Å |
| 1683 | S | 81.3 | Confident | 78.5 | Confident | 7 Ų | 7 | 41.2 Ų | 41.2 | 5% | 0.049 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 147.2 | -174.5 | -62.2 | 0 | 0 | 0 | 0 | 111.4 | Q1681 L1690 V1691 E1693 | Q1681-S1683 PolarHBondContact NE2-OG 3.09Å; S1683-L1690 WeakPolarHBondContact O-CA 3.24Å; S1683-V1691 PolarHBondContact N-O 3.48Å; S1683-V1691 PolarHBondContact O-N 2.94Å; S1683-E1693 WeakPolarHBondContact CB-OE2 3.47Å; S1683-E1693 PolarHBondContact OG-OE2 2.74Å |
| 1684 | S | 71.2 | Confident | 79.1 | Confident | 49 Ų | 49 | 40.4 Ų | 40.4 | 34% | 0.343 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 121.6 | 170.3 | 64.7 | 0 | 0 | 0 | 0 | 111.5 | G1689 | S1684-G1689 CarbonylContact C-O 3.47Å; S1684-G1689 WeakPolarHBondContact CA-O 3.14Å |
| 1685 | K | 63.1 | Low | 79.6 | Confident | 121 Ų | 121 | 41.1 Ų | 41.1 | 53% | 0.526 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 98.4 | 179.9 | -165 | 178.1 | -173.6 | 179.9 | 0 | 110.2 | G1689 V1691 E1714 | K1685-G1689 PolarHBondContact N-O 3.27Å; K1685-G1689 PolarHBondContact O-N 2.96Å; K1685-V1691 HydrophobicContact CB-CG1 4.06Å; K1685-V1691 HydrophobicContact CD-CG1 4.24Å; K1685-E1714 IonicContact NZ-OE1 3.8Å; K1685-E1714 PolarHBondContact NZ-OE1 3.26Å; K1685-E1714 IonicContact NZ-OE2 2.68Å |
| 1686 | G | 58.6 | Low | 79.9 | Confident | 59 Ų | 59 | 40.9 Ų | 40.9 | 61% | 0.608 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.9 | -157.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 1687 | M | 55 | Low | 79.8 | Confident | 132 Ų | 132 | 37.5 Ų | 37.5 | 65% | 0.65 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -23.1 | -175.8 | -166.1 | 174.4 | -71.8 | 0 | 0 | 113.4 | ||
| 1688 | F | 48.5 | Very low | 79.5 | Confident | 162 Ų | 162 | 41 Ų | 41 | 71% | 0.711 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -135.7 | 6.4 | -169.5 | -57.4 | -64.8 | 0 | 0 | 0 | 115.4 | ||
| 1689 | G | 60.3 | Low | 79.1 | Confident | 29 Ų | 29 | 41 Ų | 41 | 30% | 0.299 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 136.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | S1684 K1685 | S1684-G1689 CarbonylContact C-O 3.47Å; S1684-G1689 WeakPolarHBondContact CA-O 3.14Å; K1685-G1689 PolarHBondContact N-O 3.27Å; K1685-G1689 PolarHBondContact O-N 2.96Å |
| 1690 | L | 70.2 | Confident | 78.6 | Confident | 85 Ų | 85 | 40.9 Ų | 40.9 | 45% | 0.445 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 142.6 | 160.1 | -65 | 170 | 0 | 0 | 0 | 108.9 | R1682 S1683 | R1682-L1690 HydrophobicContact CG-CB 4.37Å; S1683-L1690 WeakPolarHBondContact O-CA 3.24Å |
| 1691 | V | 80.2 | Confident | 78.1 | Confident | 13 Ų | 13 | 46.7 Ų | 46.7 | 8% | 0.079 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 134.3 | 176.6 | 69.3 | 0 | 0 | 0 | 0 | 109.9 | R1682 S1683 K1685 E1693 E1714 F1715 | R1682-V1691 CarbonylContact C-O 3.33Å; R1682-V1691 WeakPolarHBondContact CA-O 3.26Å; S1683-V1691 PolarHBondContact N-O 3.48Å; S1683-V1691 PolarHBondContact O-N 2.94Å; K1685-V1691 HydrophobicContact CB-CG1 4.06Å; K1685-V1691 HydrophobicContact CD-CG1 4.24Å; V1691-E1693 HydrophobicContact CG1-CG 4.08Å; V1691-E1714 HydrophobicContact CG2-CG 3.41Å; V1691-E1714 VanDerWaalsContact CG2-CG 3.41Å; V1691-F1715 VanDerWaalsContact CG2-O 3.3Å; V1691-F1715 WeakPolarHBondContact CG2-O 3.39Å |
| 1692 | T | 86.9 | Confident | 77.7 | Confident | 13 Ų | 13 | 50 Ų | 50 | 8% | 0.08 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 134.3 | 173.9 | -50.1 | 0 | 0 | 0 | 0 | 108.6 | L1659 Q1681 F1715 P1721 | L1659-T1692 HydrophobicContact CD1-CG2 3.71Å; Q1681-T1692 CarbonylContact O-C 3.34Å; Q1681-T1692 WeakPolarHBondContact O-CA 3.15Å; T1692-F1715 HydrophobicContact CG2-CD2 3.86Å; T1692-F1715 HydrophobicContact CG2-CE2 4.43Å; T1692-F1715 WeakPolarHBondContact O-CB 3.47Å; T1692-F1715 WeakPolarHBondContact O-CD2 3.49Å; T1692-F1715 PolarHBondContact O-N 2.69Å; T1692-P1721 HydrophobicContact CG2-CG 3.91Å |
| 1693 | E | 89.4 | Confident | 77.7 | Confident | 19 Ų | 19 | 46.8 Ų | 46.8 | 9% | 0.089 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 135.2 | -175.9 | -58.3 | -179.9 | 130.2 | 0 | 0 | 109.9 | M1680 Q1681 S1683 V1691 H1695 K1711 R1713 E1714 | M1680-E1693 CarbonylContact C-O 3.58Å; M1680-E1693 WeakPolarHBondContact CA-O 3.41Å; Q1681-E1693 HydrophobicContact CG-CB 4.34Å; Q1681-E1693 PolarHBondContact N-O 2.72Å; Q1681-E1693 PolarHBondContact O-N 3.09Å; S1683-E1693 WeakPolarHBondContact CB-OE2 3.47Å; S1683-E1693 PolarHBondContact OG-OE2 2.74Å; V1691-E1693 HydrophobicContact CG1-CG 4.08Å; E1693-H1695 VanDerWaalsContact CB-NE2 3.33Å; E1693-H1695 WeakPolarHBondContact CB-NE2 3.43Å; E1693-H1695 IonicContact OE2-CE1 2.86Å; E1693-H1695 IonicContact OE2-NE2 2.95Å; E1693-H1695 PolarHBondContact OE2-NE2 2.91Å; E1693-K1711 HydrophobicContact CB-CD 3.89Å; E1693-K1711 HydrophobicContact CB-CG 4.49Å; E1693-K1711 HydrophobicContact CG-CD 3.79Å; E1693-K1711 VanDerWaalsContact OE1-CD 3.23Å; E1693-K1711 WeakPolarHBondContact OE1-CD 3.43Å; E1693-K1711 WeakPolarHBondContact OE1-CE 3.3Å; E1693-K1711 IonicContact OE1-NZ 2.91Å; E1693-K1711 PolarHBondContact OE1-NZ 2.83Å; E1693-R1713 WeakPolarHBondContact CA-O 3.47Å; E1693-E1714 HydrophobicContact CG-CG 4.42Å |
| 1694 | L | 90.7 | Very high | 78.2 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 119.4 | 168.4 | 174.2 | 64.7 | 0 | 0 | 0 | 108.7 | M1680 I1712 R1713 F1715 M1725 L1732 | M1680-L1694 HydrophobicContact CE-CD1 4.26Å; M1680-L1694 HydrophobicContact CG-CD1 3.9Å; L1694-I1712 HydrophobicContact CD2-CB 4.27Å; L1694-I1712 HydrophobicContact CD2-CG2 3.98Å; L1694-I1712 HydrophobicContact CG-CB 4.17Å; L1694-I1712 HydrophobicContact CG-CG2 4.43Å; L1694-I1712 PolarHBondContact O-N 3.33Å; L1694-R1713 HydrophobicContact CB-CB 4.17Å; L1694-R1713 HydrophobicContact CD2-CB 4.4Å; L1694-R1713 PolarHBondContact N-O 3.02Å; L1694-R1713 PolarHBondContact O-N 2.92Å; L1694-F1715 HydrophobicContact CB-CE2 3.7Å; L1694-F1715 HydrophobicContact CB-CZ 4.06Å; L1694-M1725 HydrophobicContact CD1-SD 3.88Å; L1694-L1732 HydrophobicContact CD1-CD2 3.91Å; L1694-L1732 HydrophobicContact CD2-CD2 3.62Å; L1694-L1732 HydrophobicContact CG-CD2 4.23Å |
| 1695 | H | 91.7 | Very high | 78.9 | Confident | 21 Ų | 21 | 50.5 Ų | 50.5 | 10% | 0.097 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 151 | 176.6 | -67.1 | -105.4 | 0 | 0 | 0 | 110 | C1678 W1679 E1693 E1710 | C1678-H1695 VanDerWaalsContact CA-O 3.31Å; C1678-H1695 WeakPolarHBondContact CA-O 3.19Å; W1679-H1695 HydrophobicContact CD2-CB 4.05Å; W1679-H1695 VanDerWaalsContact CE2-CB 3.49Å; W1679-H1695 HydrophobicContact CE3-CB 4.47Å; W1679-H1695 HydrophobicContact CH2-CB 3.91Å; W1679-H1695 HydrophobicContact CZ2-CB 3.41Å; W1679-H1695 VanDerWaalsContact CZ2-CB 3.41Å; W1679-H1695 HydrophobicContact CZ3-CB 4.41Å; W1679-H1695 PolarHBondContact N-O 3.09Å; W1679-H1695 PolarHBondContact O-N 2.92Å; E1693-H1695 VanDerWaalsContact CB-NE2 3.33Å; E1693-H1695 WeakPolarHBondContact CB-NE2 3.43Å; E1693-H1695 IonicContact OE2-CE1 2.86Å; E1693-H1695 IonicContact OE2-NE2 2.95Å; E1693-H1695 PolarHBondContact OE2-NE2 2.91Å; H1695-E1710 WeakPolarHBondContact CA-O 3.48Å |
| 1696 | C | 90.9 | Very high | 79.9 | Confident | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.014 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 135.4 | 170 | -65.5 | 0 | 0 | 0 | 0 | 111.3 | K1676 L1677 C1678 N1709 E1710 I1712 | K1676-C1696 HydrophobicContact CD-CB 4.37Å; K1676-C1696 VanDerWaalsContact CE-SG 3.53Å; K1676-C1696 HydrophobicContact CG-CB 4.24Å; L1677-C1696 CarbonylContact O-C 3.49Å; L1677-C1696 WeakPolarHBondContact O-CA 3.38Å; C1678-C1696 HydrophobicContact CB-CB 4.14Å; C1678-C1696 WeakPolarHBondContact CB-SG 3.25Å; C1678-C1696 WeakPolarHBondContact SG-CB 3.2Å; C1678-C1696 CovalentContact SG-SG 2.04Å; C1678-C1696 PolarHBondContact SG-SG 3.1Å; C1696-N1709 PolarHBondContact O-OD1 2.92Å; C1696-E1710 PolarHBondContact N-O 2.74Å; C1696-E1710 PolarHBondContact O-N 2.88Å; C1696-I1712 HydrophobicContact CB-CD1 4.21Å; C1696-I1712 HydrophobicContact CB-CG1 3.82Å |
| 1697 | A | 87 | Confident | 80.8 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 137.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | K1676 L1677 W1679 I1706 T1708 N1709 | K1676-A1697 CarbonylContact C-O 3.5Å; K1676-A1697 WeakPolarHBondContact CA-O 3.32Å; L1677-A1697 PolarHBondContact N-O 2.84Å; L1677-A1697 PolarHBondContact O-N 3.47Å; W1679-A1697 HydrophobicContact CH2-CB 4.02Å; W1679-A1697 HydrophobicContact CZ3-CB 3.68Å; A1697-I1706 HydrophobicContact CB-CB 4.46Å; A1697-I1706 HydrophobicContact CB-CD1 3.87Å; A1697-I1706 HydrophobicContact CB-CG1 3.91Å; A1697-I1706 HydrophobicContact CB-CG2 3.78Å; A1697-T1708 CarbonylContact C-O 3.49Å; A1697-T1708 VanDerWaalsContact CA-O 3.23Å; A1697-T1708 WeakPolarHBondContact CA-O 3.41Å; A1697-N1709 HydrophobicContact CB-CB 4.45Å |
| 1698 | R | 84.9 | Confident | 81.8 | Confident | 73 Ų | 73 | 44.3 Ų | 44.3 | 28% | 0.275 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 118.9 | 164.1 | -173.5 | -176.4 | -174.2 | 173.9 | 6.4 | 108.3 | H1423 S1673 L1707 T1708 | H1423-R1698 PolarHBondContact O-NH1 3.32Å; S1673-R1698 VanDerWaalsContact OG-CG 3.25Å; S1673-R1698 WeakPolarHBondContact OG-CG 3.49Å; S1673-R1698 PolarHBondContact OG-NE 2.85Å; R1698-L1707 HydrophobicContact CG-CD1 4.29Å; R1698-L1707 PolarHBondContact O-N 3.42Å; R1698-T1708 VanDerWaalsContact CB-OG1 3.32Å; R1698-T1708 WeakPolarHBondContact CB-OG1 3.36Å; R1698-T1708 PolarHBondContact N-O 3.35Å |
| 1699 | L | 87 | Confident | 83.3 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 144 | 176.6 | -59.5 | 177.5 | 0 | 0 | 0 | 110.4 | Y1624 L1651 I1663 S1673 A1674 G1675 L1677 E1705 I1706 | Y1624-L1699 HydrophobicContact CE1-CD1 4.31Å; L1651-L1699 HydrophobicContact CD2-CD2 4.14Å; I1663-L1699 HydrophobicContact CD1-CD1 3.79Å; I1663-L1699 HydrophobicContact CG1-CD1 4.48Å; S1673-L1699 WeakPolarHBondContact CA-O 3.46Å; S1673-L1699 VanDerWaalsContact CB-O 3.26Å; S1673-L1699 WeakPolarHBondContact CB-O 3.24Å; S1673-L1699 PolarHBondContact OG-O 3.49Å; A1674-L1699 HydrophobicContact CB-CB 4.05Å; A1674-L1699 PolarHBondContact N-O 3.28Å; G1675-L1699 PolarHBondContact O-N 2.86Å; L1677-L1699 HydrophobicContact CB-CD1 4.25Å; L1677-L1699 HydrophobicContact CB-CD2 4.07Å; L1677-L1699 HydrophobicContact CB-CG 4.15Å; L1677-L1699 HydrophobicContact CD2-CD2 4.27Å; L1699-E1705 CarbonylContact C-O 3.56Å; L1699-E1705 WeakPolarHBondContact CA-O 3.28Å; L1699-I1706 HydrophobicContact CD2-CG1 4.33Å |
| 1700 | G | 83.2 | Confident | 84.2 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | trans | -71.6 | -175.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | A1674 T1702 G1703 E1705 | A1674-G1700 WeakPolarHBondContact CB-O 3.36Å; A1674-G1700 PolarHBondContact N-O 3.44Å; G1700-T1702 PolarHBondContact O-N 2.93Å; G1700-G1703 PolarHBondContact O-N 2.69Å; G1700-G1703 VanDerWaalsContact O-N 3.14Å; G1700-E1705 WeakPolarHBondContact CA-OE1 3.48Å; G1700-E1705 PolarHBondContact N-O 3.03Å | ||
| 1701 | Q | 81.4 | Confident | 84.8 | Confident | 123 Ų | 123 | 44.1 Ų | 44.1 | 58% | 0.575 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -30.1 | -172.2 | -70.6 | -176.1 | -2.9 | 0 | 0 | 113.1 | N1672 | N1672-Q1701 HydrophobicContact CB-CG 4.3Å; N1672-Q1701 PolarHBondContact OD1-NE2 2.83Å |
| 1702 | T | 84 | Confident | 84.8 | Confident | 74 Ų | 74 | 45.8 Ų | 45.8 | 45% | 0.454 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -14.9 | -179.4 | 57.1 | 0 | 0 | 0 | 0 | 114.2 | L1622 G1700 R1704 | L1622-T1702 WeakPolarHBondContact CD1-O 3.48Å; G1700-T1702 PolarHBondContact O-N 2.93Å; T1702-R1704 PolarHBondContact O-N 3.48Å; T1702-R1704 PolarHBondContact OG1-N 2.72Å |
| 1703 | G | 86.5 | Confident | 84.7 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | S | Bend | trans | 76.5 | -12.1 | -166.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y1624 G1700 | Y1624-G1703 WeakPolarHBondContact CE1-O 3.33Å; Y1624-G1703 PolarHBondContact OH-O 2.68Å; G1700-G1703 PolarHBondContact O-N 2.69Å; G1700-G1703 VanDerWaalsContact O-N 3.14Å |
| 1704 | R | 91.3 | Very high | 84.3 | Confident | 39 Ų | 39 | 50.8 Ų | 50.8 | 15% | 0.147 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -98.4 | -3.3 | -173.5 | -75.6 | -176.8 | 171.9 | -81.5 | 8.5 | 115.4 | L1622 V1640 N1647 E1649 L1651 T1702 D1794 | L1622-R1704 HydrophobicContact CD1-CG 4.26Å; V1640-R1704 HydrophobicContact CG1-CG 4.31Å; V1640-R1704 PolarHBondContact O-NH1 3.17Å; N1647-R1704 VanDerWaalsContact O-CZ 3.28Å; N1647-R1704 PolarHBondContact O-NH1 3.28Å; N1647-R1704 PolarHBondContact O-NH2 3.4Å; E1649-R1704 WeakPolarHBondContact OE1-CB 3.09Å; E1649-R1704 WeakPolarHBondContact OE1-CD 3.28Å; E1649-R1704 WeakPolarHBondContact OE1-CG 3.48Å; E1649-R1704 IonicContact OE1-CZ 2.67Å; E1649-R1704 IonicContact OE1-NE 3.42Å; E1649-R1704 IonicContact OE1-NH1 3.58Å; E1649-R1704 PolarHBondContact OE1-NH1 3.17Å; L1651-R1704 VanDerWaalsContact CD1-C 3.44Å; L1651-R1704 WeakPolarHBondContact CD1-O 3.33Å; T1702-R1704 PolarHBondContact O-N 3.48Å; T1702-R1704 PolarHBondContact OG1-N 2.72Å; R1704-D1794 IonicContact CZ-OD2 3.72Å; R1704-D1794 IonicContact NE-OD1 3.28Å; R1704-D1794 IonicContact NE-OD2 2.62Å; R1704-D1794 PolarHBondContact NE-OD2 3Å; R1704-D1794 IonicContact NH2-OD2 2.73Å; R1704-D1794 PolarHBondContact NH2-OD2 3.26Å |
| 1705 | E | 85.4 | Confident | 83.9 | Confident | 95 Ų | 95 | 51 Ų | 51 | 44% | 0.444 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -123.6 | 151.4 | 176.3 | 70.3 | -172.7 | 166.2 | 0 | 0 | 110.2 | L1699 G1700 | L1699-E1705 CarbonylContact C-O 3.56Å; L1699-E1705 WeakPolarHBondContact CA-O 3.28Å; G1700-E1705 WeakPolarHBondContact CA-OE1 3.48Å; G1700-E1705 PolarHBondContact N-O 3.03Å |
| 1706 | I | 85.2 | Confident | 82.9 | Confident | 47 Ų | 47 | 50.6 Ų | 50.6 | 24% | 0.241 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 118.1 | 172.1 | -70.2 | 172.4 | 0 | 0 | 0 | 108.5 | L1651 L1652 A1697 L1699 N1709 | L1651-I1706 HydrophobicContact CD1-CD1 4.46Å; L1651-I1706 HydrophobicContact CD1-CG1 4.14Å; L1651-I1706 HydrophobicContact CD2-CD1 4.4Å; L1651-I1706 HydrophobicContact CG-CD1 4.03Å; L1651-I1706 HydrophobicContact CG-CG1 4.21Å; L1652-I1706 HydrophobicContact CB-CD1 3.83Å; L1652-I1706 HydrophobicContact CD1-CD1 4Å; L1652-I1706 HydrophobicContact CD2-CD1 3.86Å; L1652-I1706 HydrophobicContact CG-CD1 4.1Å; A1697-I1706 HydrophobicContact CB-CB 4.46Å; A1697-I1706 HydrophobicContact CB-CD1 3.87Å; A1697-I1706 HydrophobicContact CB-CG1 3.91Å; A1697-I1706 HydrophobicContact CB-CG2 3.78Å; L1699-I1706 HydrophobicContact CD2-CG1 4.33Å; I1706-N1709 HydrophobicContact CG2-CB 4.1Å |
| 1707 | L | 77.9 | Confident | 81.7 | Confident | 79 Ų | 79 | 55.9 Ų | 55.9 | 41% | 0.414 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | -43.4 | 176.4 | -63 | 178.8 | 0 | 0 | 0 | 111.7 | N1672 R1698 | N1672-L1707 WeakPolarHBondContact O-CD1 3.35Å; R1698-L1707 HydrophobicContact CG-CD1 4.29Å; R1698-L1707 PolarHBondContact O-N 3.42Å |
| 1708 | T | 75.4 | Confident | 80.5 | Confident | 56 Ų | 56 | 57.4 Ų | 57.4 | 34% | 0.344 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 136 | -179.7 | 55 | 0 | 0 | 0 | 0 | 108.8 | A1697 R1698 | A1697-T1708 CarbonylContact C-O 3.49Å; A1697-T1708 VanDerWaalsContact CA-O 3.23Å; A1697-T1708 WeakPolarHBondContact CA-O 3.41Å; R1698-T1708 VanDerWaalsContact CB-OG1 3.32Å; R1698-T1708 WeakPolarHBondContact CB-OG1 3.36Å; R1698-T1708 PolarHBondContact N-O 3.35Å |
| 1709 | N | 79.5 | Confident | 79.7 | Confident | 73 Ų | 73 | 56.1 Ų | 56.1 | 39% | 0.39 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 135.9 | 169.6 | -180 | 24.6 | 0 | 0 | 0 | 108.9 | W1679 C1696 A1697 I1706 | W1679-N1709 WeakPolarHBondContact CH2-OD1 3.35Å; C1696-N1709 PolarHBondContact O-OD1 2.92Å; A1697-N1709 HydrophobicContact CB-CB 4.45Å; I1706-N1709 HydrophobicContact CG2-CB 4.1Å |
| 1710 | E | 79.8 | Confident | 79.1 | Confident | 107 Ų | 107 | 60.2 Ų | 60.2 | 50% | 0.5 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 139.6 | 178.9 | 56.1 | -177.3 | -176.5 | 0 | 0 | 111.3 | H1695 C1696 I1712 | H1695-E1710 WeakPolarHBondContact CA-O 3.48Å; C1696-E1710 PolarHBondContact N-O 2.74Å; C1696-E1710 PolarHBondContact O-N 2.88Å; E1710-I1712 HydrophobicContact CG-CD1 3.69Å; E1710-I1712 HydrophobicContact CG-CG1 4.42Å; E1710-I1712 PolarHBondContact O-N 2.94Å; E1710-I1712 VanDerWaalsContact OE1-CD1 3.31Å; E1710-I1712 WeakPolarHBondContact OE1-CD1 3.13Å |
| 1711 | K | 83.1 | Confident | 79.1 | Confident | 93 Ų | 93 | 60.8 Ų | 60.8 | 40% | 0.404 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 112.4 | 165 | -179.1 | 164.6 | 59.1 | 177.5 | 0 | 108 | E1693 E1714 | E1693-K1711 HydrophobicContact CB-CD 3.89Å; E1693-K1711 HydrophobicContact CB-CG 4.49Å; E1693-K1711 HydrophobicContact CG-CD 3.79Å; E1693-K1711 VanDerWaalsContact OE1-CD 3.23Å; E1693-K1711 WeakPolarHBondContact OE1-CD 3.43Å; E1693-K1711 WeakPolarHBondContact OE1-CE 3.3Å; E1693-K1711 IonicContact OE1-NZ 2.91Å; E1693-K1711 PolarHBondContact OE1-NZ 2.83Å; K1711-E1714 HydrophobicContact CD-CB 4.27Å; K1711-E1714 IonicContact NZ-OE2 3.53Å; K1711-E1714 PolarHBondContact NZ-OE2 2.94Å |
| 1712 | I | 80.3 | Confident | 79.3 | Confident | 48 Ų | 48 | 55.3 Ų | 55.3 | 25% | 0.246 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | -44.8 | -179 | -63.6 | -64 | 0 | 0 | 0 | 110.8 | L1694 C1696 E1710 I1745 | L1694-I1712 HydrophobicContact CD2-CB 4.27Å; L1694-I1712 HydrophobicContact CD2-CG2 3.98Å; L1694-I1712 HydrophobicContact CG-CB 4.17Å; L1694-I1712 HydrophobicContact CG-CG2 4.43Å; L1694-I1712 PolarHBondContact O-N 3.33Å; C1696-I1712 HydrophobicContact CB-CD1 4.21Å; C1696-I1712 HydrophobicContact CB-CG1 3.82Å; E1710-I1712 HydrophobicContact CG-CD1 3.69Å; E1710-I1712 HydrophobicContact CG-CG1 4.42Å; E1710-I1712 PolarHBondContact O-N 2.94Å; E1710-I1712 VanDerWaalsContact OE1-CD1 3.31Å; E1710-I1712 WeakPolarHBondContact OE1-CD1 3.13Å; I1712-I1745 HydrophobicContact CG2-CD1 3.1Å |
| 1713 | R | 83.3 | Confident | 79.2 | Confident | 61 Ų | 61 | 55.9 Ų | 55.9 | 23% | 0.23 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 138.8 | -178.8 | -172.1 | 174.8 | -179.2 | 131.2 | -3.5 | 109.8 | E1693 L1694 F1715 E1719 | E1693-R1713 WeakPolarHBondContact CA-O 3.47Å; L1694-R1713 HydrophobicContact CB-CB 4.17Å; L1694-R1713 HydrophobicContact CD2-CB 4.4Å; L1694-R1713 PolarHBondContact N-O 3.02Å; L1694-R1713 PolarHBondContact O-N 2.92Å; R1713-F1715 HydrophobicContact CG-CD1 4.42Å; R1713-F1715 HydrophobicContact CG-CE1 4.36Å; R1713-E1719 IonicContact CZ-OE2 3.37Å; R1713-E1719 IonicContact NE-OE2 3.44Å; R1713-E1719 PolarHBondContact NE-OE2 3.11Å; R1713-E1719 IonicContact NH2-OE1 3.45Å; R1713-E1719 PolarHBondContact NH2-OE1 3.31Å; R1713-E1719 IonicContact NH2-OE2 2.79Å; R1713-E1719 PolarHBondContact NH2-OE2 3.46Å |
| 1714 | E | 82.6 | Confident | 79.2 | Confident | 76 Ų | 76 | 56 Ų | 56 | 36% | 0.355 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 115.2 | 162.9 | -172.3 | 173.1 | 133.6 | 0 | 0 | 106.2 | K1685 V1691 E1693 K1711 | K1685-E1714 IonicContact NZ-OE1 3.8Å; K1685-E1714 PolarHBondContact NZ-OE1 3.26Å; K1685-E1714 IonicContact NZ-OE2 2.68Å; V1691-E1714 HydrophobicContact CG2-CG 3.41Å; V1691-E1714 VanDerWaalsContact CG2-CG 3.41Å; E1693-E1714 HydrophobicContact CG-CG 4.42Å; K1711-E1714 HydrophobicContact CD-CB 4.27Å; K1711-E1714 IonicContact NZ-OE2 3.53Å; K1711-E1714 PolarHBondContact NZ-OE2 2.94Å |
| 1715 | F | 82.1 | Confident | 79.2 | Confident | 3 Ų | 3 | 55 Ų | 55 | 1% | 0.013 | 28% | 0.28 | C | S | . | . | trans | -75.5 | 141.1 | 175.3 | -61.6 | -78.8 | 0 | 0 | 0 | 108.8 | M1680 V1691 T1692 L1694 R1713 E1719 P1721 W1734 | M1680-F1715 HydrophobicContact CE-CE2 4.26Å; M1680-F1715 HydrophobicContact CE-CZ 3.92Å; M1680-F1715 HydrophobicContact CG-CE2 4.44Å; M1680-F1715 HydrophobicContact SD-CE2 4.31Å; M1680-F1715 HydrophobicContact SD-CZ 4.49Å; V1691-F1715 VanDerWaalsContact CG2-O 3.3Å; V1691-F1715 WeakPolarHBondContact CG2-O 3.39Å; T1692-F1715 HydrophobicContact CG2-CD2 3.86Å; T1692-F1715 HydrophobicContact CG2-CE2 4.43Å; T1692-F1715 WeakPolarHBondContact O-CB 3.47Å; T1692-F1715 WeakPolarHBondContact O-CD2 3.49Å; T1692-F1715 PolarHBondContact O-N 2.69Å; L1694-F1715 HydrophobicContact CB-CE2 3.7Å; L1694-F1715 HydrophobicContact CB-CZ 4.06Å; R1713-F1715 HydrophobicContact CG-CD1 4.42Å; R1713-F1715 HydrophobicContact CG-CE1 4.36Å; F1715-E1719 HydrophobicContact CB-CB 4.12Å; F1715-E1719 HydrophobicContact CD1-CB 4.1Å; F1715-P1721 HydrophobicContact CD1-CG 4.4Å; F1715-P1721 HydrophobicContact CD2-CG 3.94Å; F1715-P1721 HydrophobicContact CE1-CB 4.3Å; F1715-P1721 HydrophobicContact CE1-CG 4.31Å; F1715-P1721 HydrophobicContact CE2-CB 4.38Å; F1715-P1721 HydrophobicContact CE2-CG 3.81Å; F1715-P1721 HydrophobicContact CG-CG 4.23Å; F1715-P1721 HydrophobicContact CZ-CB 4.1Å; F1715-P1721 HydrophobicContact CZ-CG 4.01Å; F1715-W1734 HydrophobicContact CE1-CZ2 4.23Å; F1715-W1734 AromaticContact CE1-NE1 3.54Å; F1715-W1734 AromaticContact CZ-NE1 3.78Å | ||
| 1716 | S | 70.5 | Confident | 79.4 | Confident | 14 Ų | 14 | 51.8 Ų | 51.8 | 10% | 0.098 | 27% | 0.266 | C | S | . | . | trans | -72 | 164.8 | 172.8 | 69.4 | 0 | 0 | 0 | 0 | 111.3 | P826 S1718 E1719 | P826-S1716 VanDerWaalsContact CB-CB 3.47Å; P826-S1716 WeakPolarHBondContact O-CB 3.47Å; P826-S1716 PolarHBondContact O-OG 2.94Å; S1716-S1718 PolarHBondContact O-N 3.26Å; S1716-S1718 PolarHBondContact OG-N 2.89Å; S1716-S1718 PolarHBondContact OG-OG 2.81Å; S1716-E1719 PolarHBondContact O-N 2.81Å; S1716-E1719 PolarHBondContact OG-N 3.29Å | ||
| 1717 | P | 64.6 | Low | 79.6 | Confident | 113 Ų | 113 | 50.3 Ų | 50.3 | 73% | 0.734 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -9.5 | 171 | -25 | 35.6 | 0 | 0 | 0 | 114.8 | ||
| 1718 | S | 62.6 | Low | 79.8 | Confident | 31 Ų | 31 | 47.9 Ų | 47.9 | 22% | 0.217 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | -6.3 | 177.5 | 82.6 | 0 | 0 | 0 | 0 | 114.7 | P826 N828 S1716 | P826-S1718 PolarHBondContact O-OG 2.87Å; N828-S1718 WeakPolarHBondContact ND2-CB 3.33Å; N828-S1718 PolarHBondContact ND2-OG 2.81Å; S1716-S1718 PolarHBondContact O-N 3.26Å; S1716-S1718 PolarHBondContact OG-N 2.89Å; S1716-S1718 PolarHBondContact OG-OG 2.81Å |
| 1719 | E | 67.7 | Low | 79.7 | Confident | 47 Ų | 47 | 49.8 Ų | 49.8 | 22% | 0.22 | 25% | 0.248 | C | C | . | . | trans | -99.7 | 96 | 168 | -72.2 | -167.5 | 155.8 | 0 | 0 | 108.9 | R1713 F1715 S1716 P1721 | R1713-E1719 IonicContact CZ-OE2 3.37Å; R1713-E1719 IonicContact NE-OE2 3.44Å; R1713-E1719 PolarHBondContact NE-OE2 3.11Å; R1713-E1719 IonicContact NH2-OE1 3.45Å; R1713-E1719 PolarHBondContact NH2-OE1 3.31Å; R1713-E1719 IonicContact NH2-OE2 2.79Å; R1713-E1719 PolarHBondContact NH2-OE2 3.46Å; F1715-E1719 HydrophobicContact CB-CB 4.12Å; F1715-E1719 HydrophobicContact CD1-CB 4.1Å; S1716-E1719 PolarHBondContact O-N 2.81Å; S1716-E1719 PolarHBondContact OG-N 3.29Å; E1719-P1721 WeakPolarHBondContact O-CD 3.23Å | ||
| 1720 | E | 74.5 | Confident | 79.2 | Confident | 86 Ų | 86 | 47.6 Ų | 47.6 | 40% | 0.402 | 24% | 0.243 | S | C | . | . | trans | -95.9 | 102.6 | 171.5 | -168.4 | 153.8 | -138.8 | 0 | 0 | 109.9 | R1682 A1737 T1738 | R1682-E1720 IonicContact CZ-OE1 3.36Å; R1682-E1720 IonicContact NH2-OE1 3.21Å; R1682-E1720 PolarHBondContact NH2-OE1 2.86Å; E1720-A1737 HydrophobicContact CB-CB 4.3Å; E1720-A1737 HydrophobicContact CG-CB 4.08Å; E1720-A1737 VanDerWaalsContact O-CB 3.27Å; E1720-A1737 WeakPolarHBondContact O-CB 3.27Å; E1720-A1737 PolarHBondContact O-N 2.93Å; E1720-T1738 HydrophobicContact CB-CG2 4.42Å | ||
| 1721 | P | 84.4 | Confident | 79 | Confident | 12 Ų | 12 | 43.1 Ų | 43.1 | 8% | 0.078 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 144.2 | 170.3 | 31.3 | -36 | 0 | 0 | 0 | 109.7 | M1680 T1692 F1715 E1719 T1735 | M1680-P1721 HydrophobicContact CE-CB 3.93Å; M1680-P1721 HydrophobicContact CE-CG 4.48Å; M1680-P1721 HydrophobicContact SD-CB 3.64Å; M1680-P1721 HydrophobicContact SD-CG 3.73Å; T1692-P1721 HydrophobicContact CG2-CG 3.91Å; F1715-P1721 HydrophobicContact CD1-CG 4.4Å; F1715-P1721 HydrophobicContact CD2-CG 3.94Å; F1715-P1721 HydrophobicContact CE1-CB 4.3Å; F1715-P1721 HydrophobicContact CE1-CG 4.31Å; F1715-P1721 HydrophobicContact CE2-CB 4.38Å; F1715-P1721 HydrophobicContact CE2-CG 3.81Å; F1715-P1721 HydrophobicContact CG-CG 4.23Å; F1715-P1721 HydrophobicContact CZ-CB 4.1Å; F1715-P1721 HydrophobicContact CZ-CG 4.01Å; E1719-P1721 WeakPolarHBondContact O-CD 3.23Å; P1721-T1735 WeakPolarHBondContact CA-O 3.24Å |
| 1722 | S | 84.5 | Confident | 79.2 | Confident | 7 Ų | 7 | 39 Ų | 39 | 5% | 0.049 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 177.4 | 172.4 | 69 | 0 | 0 | 0 | 0 | 111.7 | G1724 T1735 F1762 | S1722-G1724 PolarHBondContact O-N 2.81Å; S1722-G1724 VanDerWaalsContact O-N 3.16Å; S1722-T1735 PolarHBondContact N-O 2.99Å; S1722-T1735 WeakPolarHBondContact OG-CB 3.32Å; S1722-T1735 PolarHBondContact OG-O 2.9Å; S1722-T1735 PolarHBondContact OG-OG1 2.8Å; S1722-F1762 WeakPolarHBondContact CB-O 3.35Å; S1722-F1762 PolarHBondContact OG-O 2.81Å |
| 1723 | F | 82.9 | Confident | 79.7 | Confident | 87 Ų | 87 | 36.8 Ų | 36.8 | 38% | 0.382 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | -12.5 | 178.4 | -53 | -75 | 0 | 0 | 0 | 113.8 | R1514 L1659 M1725 | R1514-F1723 HydrophobicContact CG-CD2 3.9Å; R1514-F1723 HydrophobicContact CG-CE2 4.26Å; R1514-F1723 HydrophobicContact CG-CG 4.39Å; L1659-F1723 WeakPolarHBondContact O-CD1 2.83Å; F1723-M1725 PolarHBondContact O-N 2.8Å |
| 1724 | G | 85.7 | Confident | 80.1 | Confident | 3 Ų | 3 | 34 Ų | 34 | 3% | 0.031 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 99.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | S1722 W1734 T1735 Q1763 | S1722-G1724 PolarHBondContact O-N 2.81Å; S1722-G1724 VanDerWaalsContact O-N 3.16Å; G1724-W1734 CarbonylContact O-C 3.54Å; G1724-W1734 WeakPolarHBondContact O-CA 3.18Å; G1724-T1735 WeakPolarHBondContact CA-OG1 3.28Å; G1724-T1735 PolarHBondContact O-N 2.79Å; G1724-T1735 PolarHBondContact O-OG1 2.91Å; G1724-T1735 VanDerWaalsContact O-OG1 3.09Å; G1724-Q1763 WeakPolarHBondContact CA-O 3.4Å; G1724-Q1763 PolarHBondContact N-O 2.78Å |
| 1725 | M | 91.5 | Very high | 80.5 | Confident | 18 Ų | 18 | 30.3 Ų | 30.3 | 9% | 0.089 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 132.2 | 174.6 | -179.6 | 177 | 64.5 | 0 | 0 | 110.3 | A1660 C1678 M1680 L1694 F1723 L1732 L1733 W1734 | A1660-M1725 HydrophobicContact CB-CE 4.06Å; C1678-M1725 WeakPolarHBondContact O-CE 3.48Å; M1680-M1725 HydrophobicContact CE-CG 4.43Å; M1680-M1725 HydrophobicContact CE-SD 3.82Å; M1680-M1725 HydrophobicContact CG-SD 4.09Å; M1680-M1725 HydrophobicContact SD-SD 4.48Å; L1694-M1725 HydrophobicContact CD1-SD 3.88Å; F1723-M1725 PolarHBondContact O-N 2.8Å; M1725-L1732 HydrophobicContact CG-CD1 3.7Å; M1725-L1732 HydrophobicContact SD-CD1 3.92Å; M1725-L1733 WeakPolarHBondContact CA-O 3.33Å; M1725-W1734 HydrophobicContact CB-CB 4.23Å; M1725-W1734 HydrophobicContact CG-CB 4.3Å |
| 1726 | T | 90.3 | Very high | 80.7 | Confident | 26 Ų | 26 | 30.3 Ų | 30.3 | 16% | 0.16 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 158.1 | 173 | -156.9 | 0 | 0 | 0 | 0 | 111.3 | S1662 L1733 L1765 V1767 | S1662-T1726 WeakPolarHBondContact OG-CA 3.3Å; T1726-L1733 HydrophobicContact CG2-CB 4.37Å; T1726-L1733 HydrophobicContact CG2-CD1 4.38Å; T1726-L1733 PolarHBondContact N-O 2.91Å; T1726-L1733 PolarHBondContact O-N 2.79Å; T1726-L1765 HydrophobicContact CG2-CD2 3.32Å; T1726-V1767 HydrophobicContact CG2-CG2 3.87Å |
| 1727 | Q | 88.8 | Confident | 81 | Confident | 16 Ų | 16 | 30.3 Ų | 30.3 | 8% | 0.075 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 141.1 | 167.5 | -64.5 | -178.2 | 70.3 | 0 | 0 | 110.4 | S1662 S1664 K1676 T1731 L1732 | S1662-Q1727 PolarHBondContact O-NE2 2.87Å; S1662-Q1727 PolarHBondContact OG-N 2.78Å; S1662-Q1727 VanDerWaalsContact OG-N 3.14Å; S1664-Q1727 VanDerWaalsContact CB-OE1 3.22Å; K1676-Q1727 PolarHBondContact O-NE2 2.99Å; Q1727-T1731 WeakPolarHBondContact CA-O 3.31Å; Q1727-L1732 HydrophobicContact CG-CB 4.3Å; Q1727-L1732 HydrophobicContact CG-CD1 3.43Å; Q1727-L1732 VanDerWaalsContact CG-CD1 3.43Å; Q1727-L1732 HydrophobicContact CG-CG 4.47Å |
| 1728 | Y | 82 | Confident | 81.4 | Confident | 28 Ų | 28 | 26.9 Ų | 26.9 | 11% | 0.11 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 128.8 | 170.8 | 180 | -110.9 | 0 | 0 | 0 | 110 | F1478 G1730 T1731 V1767 G1769 D1770 | F1478-Y1728 HydrophobicContact CB-CD1 4.32Å; F1478-Y1728 HydrophobicContact CB-CE1 3.71Å; F1478-Y1728 AromaticContact CD1-CD1 3.75Å; F1478-Y1728 HydrophobicContact CD1-CD1 3.75Å; F1478-Y1728 AromaticContact CD1-CE1 3.68Å; F1478-Y1728 HydrophobicContact CD1-CE1 3.68Å; F1478-Y1728 HydrophobicContact CD2-CD1 4.14Å; F1478-Y1728 HydrophobicContact CD2-CE1 4.38Å; F1478-Y1728 HydrophobicContact CE1-CD1 4.04Å; F1478-Y1728 HydrophobicContact CE1-CE1 4.4Å; F1478-Y1728 HydrophobicContact CE2-CD1 4.39Å; F1478-Y1728 AromaticContact CG-CD1 3.82Å; F1478-Y1728 HydrophobicContact CG-CD1 3.82Å; F1478-Y1728 AromaticContact CG-CE1 3.68Å; F1478-Y1728 HydrophobicContact CG-CE1 3.68Å; F1478-Y1728 HydrophobicContact CZ-CD1 4.35Å; Y1728-G1730 PolarHBondContact O-N 2.97Å; Y1728-T1731 PolarHBondContact N-O 2.89Å; Y1728-T1731 WeakPolarHBondContact O-CB 3.28Å; Y1728-T1731 PolarHBondContact O-N 2.83Å; Y1728-V1767 HydrophobicContact CD1-CG1 3.67Å; Y1728-V1767 HydrophobicContact CD2-CG1 3.97Å; Y1728-V1767 HydrophobicContact CE1-CG1 4.06Å; Y1728-V1767 HydrophobicContact CE2-CG1 4.38Å; Y1728-V1767 HydrophobicContact CG-CB 4.22Å; Y1728-V1767 HydrophobicContact CG-CG1 3.6Å; Y1728-G1769 WeakPolarHBondContact OH-CA 3.17Å; Y1728-D1770 PolarHBondContact OH-N 2.92Å |
| 1729 | K | 72.4 | Confident | 82.3 | Confident | 96 Ų | 96 | 28.3 Ų | 28.3 | 42% | 0.417 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.3 | 32.3 | -177.2 | -66.1 | -174.9 | 175.8 | 177.8 | 0 | 114.9 | T1731 | K1729-T1731 VanDerWaalsContact C-N 3.29Å; K1729-T1731 PolarHBondContact O-N 2.95Å |
| 1730 | G | 68.8 | Low | 83.1 | Confident | 28 Ų | 28 | 26.8 Ų | 26.8 | 29% | 0.289 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.2 | -8.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y1728 | Y1728-G1730 PolarHBondContact O-N 2.97Š|
| 1731 | T | 77.2 | Confident | 83.7 | Confident | 13 Ų | 13 | 22.8 Ų | 22.8 | 8% | 0.08 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 124 | 166 | -57.3 | 0 | 0 | 0 | 0 | 109.5 | Q1727 Y1728 K1729 L1733 S1744 N1746 | Q1727-T1731 WeakPolarHBondContact CA-O 3.31Å; Y1728-T1731 PolarHBondContact N-O 2.89Å; Y1728-T1731 WeakPolarHBondContact O-CB 3.28Å; Y1728-T1731 PolarHBondContact O-N 2.83Å; K1729-T1731 VanDerWaalsContact C-N 3.29Å; K1729-T1731 PolarHBondContact O-N 2.95Å; T1731-L1733 HydrophobicContact CG2-CD2 4.06Å; T1731-L1733 HydrophobicContact CG2-CG 4.17Å; T1731-S1744 WeakPolarHBondContact CG2-OG 3.22Å; T1731-N1746 WeakPolarHBondContact CG2-O 3.41Å; T1731-N1746 PolarHBondContact OG1-O 3.37Å |
| 1732 | L | 87 | Confident | 83.9 | Confident | 5 Ų | 5 | 22.4 Ų | 22.4 | 3% | 0.026 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 131.1 | 168.2 | 178.3 | 72.5 | 0 | 0 | 0 | 109 | C1678 L1694 M1725 Q1727 W1734 I1745 | C1678-L1732 HydrophobicContact CB-CD1 4.24Å; C1678-L1732 HydrophobicContact CB-CD2 4.45Å; L1694-L1732 HydrophobicContact CD1-CD2 3.91Å; L1694-L1732 HydrophobicContact CD2-CD2 3.62Å; L1694-L1732 HydrophobicContact CG-CD2 4.23Å; M1725-L1732 HydrophobicContact CG-CD1 3.7Å; M1725-L1732 HydrophobicContact SD-CD1 3.92Å; Q1727-L1732 HydrophobicContact CG-CB 4.3Å; Q1727-L1732 HydrophobicContact CG-CD1 3.43Å; Q1727-L1732 VanDerWaalsContact CG-CD1 3.43Å; Q1727-L1732 HydrophobicContact CG-CG 4.47Å; L1732-W1734 HydrophobicContact CD2-CE3 4.47Å; L1732-W1734 HydrophobicContact CG-CE3 4.31Å; L1732-I1745 HydrophobicContact CB-CG2 3.79Å; L1732-I1745 PolarHBondContact O-N 3.38Å; L1732-I1745 VanDerWaalsContact O-N 3.17Å |
| 1733 | L | 90.4 | Very high | 84.1 | Confident | 2 Ų | 2 | 22.7 Ų | 22.7 | 1% | 0.01 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 137.9 | 179.5 | -62.5 | 163.1 | 0 | 0 | 0 | 109.4 | F1478 M1725 T1726 T1731 Y1742 Y1743 L1765 V1767 | F1478-L1733 HydrophobicContact CE2-CD1 3.84Å; F1478-L1733 HydrophobicContact CZ-CD1 4.16Å; M1725-L1733 WeakPolarHBondContact CA-O 3.33Å; T1726-L1733 HydrophobicContact CG2-CB 4.37Å; T1726-L1733 HydrophobicContact CG2-CD1 4.38Å; T1726-L1733 PolarHBondContact N-O 2.91Å; T1726-L1733 PolarHBondContact O-N 2.79Å; T1731-L1733 HydrophobicContact CG2-CD2 4.06Å; T1731-L1733 HydrophobicContact CG2-CG 4.17Å; L1733-Y1742 HydrophobicContact CD2-CD2 4.03Å; L1733-Y1742 HydrophobicContact CD2-CE2 4.03Å; L1733-Y1743 VanDerWaalsContact CA-O 3.29Å; L1733-Y1743 WeakPolarHBondContact CA-O 3.26Å; L1733-L1765 HydrophobicContact CB-CD1 4.26Å; L1733-L1765 HydrophobicContact CB-CD2 3.7Å; L1733-L1765 HydrophobicContact CD1-CD2 4.41Å; L1733-V1767 HydrophobicContact CD1-CG2 3.53Å |
| 1734 | W | 92.1 | Very high | 84.2 | Confident | 2 Ų | 2 | 18.9 Ų | 18.9 | 1% | 0.008 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 160.4 | 172.7 | 71.2 | 97.1 | 0 | 0 | 0 | 112.4 | M1680 F1715 G1724 M1725 L1732 Y1742 Y1743 I1745 | M1680-W1734 HydrophobicContact CE-CB 3.59Å; M1680-W1734 HydrophobicContact CE-CD2 4.25Å; M1680-W1734 HydrophobicContact CE-CG 3.55Å; F1715-W1734 HydrophobicContact CE1-CZ2 4.23Å; F1715-W1734 AromaticContact CE1-NE1 3.54Å; F1715-W1734 AromaticContact CZ-NE1 3.78Å; G1724-W1734 CarbonylContact O-C 3.54Å; G1724-W1734 WeakPolarHBondContact O-CA 3.18Å; M1725-W1734 HydrophobicContact CB-CB 4.23Å; M1725-W1734 HydrophobicContact CG-CB 4.3Å; L1732-W1734 HydrophobicContact CD2-CE3 4.47Å; L1732-W1734 HydrophobicContact CG-CE3 4.31Å; W1734-Y1742 CarbonylContact O-C 3.56Å; W1734-Y1742 WeakPolarHBondContact O-CA 3.29Å; W1734-Y1743 AromaticContact CD1-CD2 3.87Å; W1734-Y1743 AromaticContact CE2-CD2 3.85Å; W1734-Y1743 AromaticContact CE2-CG 3.81Å; W1734-Y1743 HydrophobicContact CZ2-CD1 4.46Å; W1734-Y1743 HydrophobicContact CZ2-CD2 4.28Å; W1734-Y1743 AromaticContact CZ2-CG 3.82Å; W1734-Y1743 HydrophobicContact CZ2-CG 3.82Å; W1734-Y1743 PolarHBondContact N-O 3.37Å; W1734-Y1743 VanDerWaalsContact N-O 3.1Å; W1734-Y1743 AromaticContact NE1-CD2 3.37Å; W1734-Y1743 AromaticContact NE1-CG 3.83Å; W1734-Y1743 PolarHBondContact O-N 3.45Å; W1734-I1745 HydrophobicContact CH2-CB 4.42Å; W1734-I1745 HydrophobicContact CZ3-CB 4.06Å |
| 1735 | T | 89.7 | Confident | 83.6 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 151.5 | -177.3 | 36.4 | 0 | 0 | 0 | 0 | 113.3 | L1482 P1721 S1722 G1724 F1762 L1765 | L1482-T1735 HydrophobicContact CD2-CG2 3.58Å; P1721-T1735 WeakPolarHBondContact CA-O 3.24Å; S1722-T1735 PolarHBondContact N-O 2.99Å; S1722-T1735 WeakPolarHBondContact OG-CB 3.32Å; S1722-T1735 PolarHBondContact OG-O 2.9Å; S1722-T1735 PolarHBondContact OG-OG1 2.8Å; G1724-T1735 WeakPolarHBondContact CA-OG1 3.28Å; G1724-T1735 PolarHBondContact O-N 2.79Å; G1724-T1735 PolarHBondContact O-OG1 2.91Å; G1724-T1735 VanDerWaalsContact O-OG1 3.09Å; T1735-F1762 HydrophobicContact CG2-CB 3.5Å; T1735-F1762 HydrophobicContact CG2-CD2 4.01Å; T1735-F1762 HydrophobicContact CG2-CG 4.18Å; T1735-F1762 PolarHBondContact OG1-O 3.46Å; T1735-L1765 HydrophobicContact CG2-CB 3.79Å; T1735-L1765 HydrophobicContact CG2-CD1 3.99Å |
| 1736 | D | 86.2 | Confident | 82.2 | Confident | 2 Ų | 2 | 20.8 Ų | 20.8 | 1% | 0.011 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 132.2 | 172.2 | -160.1 | -63.9 | 0 | 0 | 0 | 109.3 | T1738 K1739 V1741 Y1743 | D1736-T1738 PolarHBondContact O-N 3.23Å; D1736-T1738 WeakPolarHBondContact OD1-CA 3.02Å; D1736-T1738 WeakPolarHBondContact OD1-CB 3.03Å; D1736-T1738 PolarHBondContact OD1-N 3.23Å; D1736-T1738 PolarHBondContact OD1-OG1 3.02Å; D1736-K1739 HydrophobicContact CB-CB 4.07Å; D1736-K1739 PolarHBondContact OD1-N 3.14Å; D1736-K1739 VanDerWaalsContact OD1-N 3.16Å; D1736-K1739 IonicContact OD1-NZ 3.1Å; D1736-K1739 WeakPolarHBondContact OD2-CD 3.49Å; D1736-K1739 IonicContact OD2-NZ 3.55Å; D1736-K1739 PolarHBondContact OD2-NZ 3.39Å; D1736-K1739 VanDerWaalsContact OD2-NZ 3.08Å; D1736-V1741 HydrophobicContact CB-CG2 3.68Å; D1736-V1741 PolarHBondContact N-O 3.1Å; D1736-Y1743 HydrophobicContact CB-CE2 3.8Å; D1736-Y1743 PolarHBondContact OD2-OH 3.12Å |
| 1737 | A | 77.1 | Confident | 80.8 | Confident | 15 Ų | 15 | 20.2 Ų | 20.2 | 12% | 0.124 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -71.3 | -11.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | E1720 R1761 | E1720-A1737 HydrophobicContact CB-CB 4.3Å; E1720-A1737 HydrophobicContact CG-CB 4.08Å; E1720-A1737 VanDerWaalsContact O-CB 3.27Å; E1720-A1737 WeakPolarHBondContact O-CB 3.27Å; E1720-A1737 PolarHBondContact O-N 2.93Å; A1737-R1761 WeakPolarHBondContact O-CD 3.46Å; A1737-R1761 VanDerWaalsContact O-CG 3.24Å; A1737-R1761 WeakPolarHBondContact O-CG 3.01Å; A1737-R1761 PolarHBondContact O-NH1 2.79Å |
| 1738 | T | 74 | Confident | 79.8 | Confident | 40 Ų | 40 | 24 Ų | 24 | 25% | 0.245 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -124 | -12.1 | -169.7 | 72.7 | 0 | 0 | 0 | 0 | 115.2 | E1720 D1736 N1760 | E1720-T1738 HydrophobicContact CB-CG2 4.42Å; D1736-T1738 PolarHBondContact O-N 3.23Å; D1736-T1738 WeakPolarHBondContact OD1-CA 3.02Å; D1736-T1738 WeakPolarHBondContact OD1-CB 3.03Å; D1736-T1738 PolarHBondContact OD1-N 3.23Å; D1736-T1738 PolarHBondContact OD1-OG1 3.02Å; T1738-N1760 CarbonylContact C-O 3.58Å |
| 1739 | K | 81 | Confident | 79.5 | Confident | 62 Ų | 62 | 25.1 Ų | 25.1 | 27% | 0.27 | 13% | 0.134 | S | C | . | . | S | Bend | trans | -137.4 | 147.1 | -171.7 | -64 | 160.1 | -145.3 | 130.6 | 0 | 111.2 | D1736 V1741 N1760 | D1736-K1739 HydrophobicContact CB-CB 4.07Å; D1736-K1739 PolarHBondContact OD1-N 3.14Å; D1736-K1739 VanDerWaalsContact OD1-N 3.16Å; D1736-K1739 IonicContact OD1-NZ 3.1Å; D1736-K1739 WeakPolarHBondContact OD2-CD 3.49Å; D1736-K1739 IonicContact OD2-NZ 3.55Å; D1736-K1739 PolarHBondContact OD2-NZ 3.39Å; D1736-K1739 VanDerWaalsContact OD2-NZ 3.08Å; K1739-V1741 HydrophobicContact CB-CG1 4.32Å; K1739-V1741 HydrophobicContact CB-CG2 3.92Å; K1739-V1741 PolarHBondContact O-N 3.09Å; K1739-N1760 CarbonylContact C-O 3.55Å; K1739-N1760 WeakPolarHBondContact CA-O 3.46Å; K1739-N1760 PolarHBondContact N-O 2.83Å |
| 1740 | T | 84.9 | Confident | 80.1 | Confident | 15 Ų | 15 | 26.3 Ų | 26.3 | 9% | 0.092 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -73.8 | 54.4 | 173.1 | 38.3 | 0 | 0 | 0 | 0 | 112.3 | V1753 V1756 S1759 N1760 F1762 | T1740-V1753 PolarHBondContact O-N 3.25Å; T1740-V1756 HydrophobicContact CG2-CB 4.08Å; T1740-V1756 HydrophobicContact CG2-CG1 3.88Å; T1740-V1756 HydrophobicContact CG2-CG2 4.19Å; T1740-S1759 WeakPolarHBondContact CG2-O 3.34Å; T1740-N1760 PolarHBondContact N-O 2.7Å; T1740-F1762 VanDerWaalsContact C-CE2 3.43Å; T1740-F1762 HydrophobicContact CG2-CE1 4.43Å; T1740-F1762 HydrophobicContact CG2-CZ 4.18Å |
| 1741 | V | 87.1 | Confident | 80.9 | Confident | 2 Ų | 2 | 25.3 Ų | 25.3 | 1% | 0.012 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 146.8 | 178.5 | -51.3 | 0 | 0 | 0 | 0 | 110.1 | D1736 K1739 Y1743 R1750 I1751 R1752 | D1736-V1741 HydrophobicContact CB-CG2 3.68Å; D1736-V1741 PolarHBondContact N-O 3.1Å; K1739-V1741 HydrophobicContact CB-CG1 4.32Å; K1739-V1741 HydrophobicContact CB-CG2 3.92Å; K1739-V1741 PolarHBondContact O-N 3.09Å; V1741-Y1743 HydrophobicContact CG2-CE1 4.49Å; V1741-Y1743 HydrophobicContact CG2-CE2 3.83Å; V1741-R1750 HydrophobicContact CB-CG 4.09Å; V1741-R1750 HydrophobicContact CG1-CG 4.22Å; V1741-R1750 HydrophobicContact CG2-CG 4.13Å; V1741-I1751 VanDerWaalsContact CA-O 3.22Å; V1741-I1751 WeakPolarHBondContact CA-O 3.28Å; V1741-I1751 WeakPolarHBondContact CB-O 3.4Å; V1741-R1752 HydrophobicContact CG1-CB 4.29Å; V1741-R1752 HydrophobicContact CG1-CG 4.43Å |
| 1742 | Y | 89.2 | Confident | 81.4 | Confident | 4 Ų | 4 | 31 Ų | 31 | 2% | 0.016 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 150.3 | 158 | 68.7 | -88.6 | 0 | 0 | 0 | 108.6 | L1482 T1491 T1499 L1733 W1734 I1751 V1753 L1765 | L1482-Y1742 HydrophobicContact CD1-CD1 4.1Å; T1491-Y1742 HydrophobicContact CG2-CE1 4.21Å; T1499-Y1742 HydrophobicContact CG2-CE1 4.08Å; L1733-Y1742 HydrophobicContact CD2-CD2 4.03Å; L1733-Y1742 HydrophobicContact CD2-CE2 4.03Å; W1734-Y1742 CarbonylContact O-C 3.56Å; W1734-Y1742 WeakPolarHBondContact O-CA 3.29Å; Y1742-I1751 HydrophobicContact CD1-CB 4.2Å; Y1742-I1751 HydrophobicContact CD1-CG2 4.49Å; Y1742-I1751 HydrophobicContact CD2-CB 4.36Å; Y1742-I1751 HydrophobicContact CD2-CD1 4.02Å; Y1742-I1751 HydrophobicContact CD2-CG1 4.5Å; Y1742-I1751 HydrophobicContact CE1-CB 3.78Å; Y1742-I1751 HydrophobicContact CE1-CG1 4.49Å; Y1742-I1751 HydrophobicContact CE1-CG2 3.72Å; Y1742-I1751 HydrophobicContact CE2-CB 3.96Å; Y1742-I1751 HydrophobicContact CE2-CD1 3.64Å; Y1742-I1751 HydrophobicContact CE2-CG1 3.85Å; Y1742-I1751 HydrophobicContact CG-CB 4.48Å; Y1742-I1751 PolarHBondContact N-O 2.73Å; Y1742-I1751 VanDerWaalsContact N-O 3.16Å; Y1742-I1751 PolarHBondContact O-N 2.98Å; Y1742-V1753 HydrophobicContact CD1-CG2 3.83Å; Y1742-V1753 HydrophobicContact CE1-CG2 3.99Å; Y1742-L1765 HydrophobicContact CD2-CD1 4.3Å; Y1742-L1765 HydrophobicContact CG-CD1 4.1Å |
| 1743 | Y | 88.8 | Confident | 81.3 | Confident | 12 Ų | 12 | 31 Ų | 31 | 5% | 0.047 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 146.4 | 175.6 | -57.9 | -88.9 | 0 | 0 | 0 | 109.3 | L1733 W1734 D1736 V1741 R1749 R1750 | L1733-Y1743 VanDerWaalsContact CA-O 3.29Å; L1733-Y1743 WeakPolarHBondContact CA-O 3.26Å; W1734-Y1743 AromaticContact CD1-CD2 3.87Å; W1734-Y1743 AromaticContact CE2-CD2 3.85Å; W1734-Y1743 AromaticContact CE2-CG 3.81Å; W1734-Y1743 HydrophobicContact CZ2-CD1 4.46Å; W1734-Y1743 HydrophobicContact CZ2-CD2 4.28Å; W1734-Y1743 AromaticContact CZ2-CG 3.82Å; W1734-Y1743 HydrophobicContact CZ2-CG 3.82Å; W1734-Y1743 PolarHBondContact N-O 3.37Å; W1734-Y1743 VanDerWaalsContact N-O 3.1Å; W1734-Y1743 AromaticContact NE1-CD2 3.37Å; W1734-Y1743 AromaticContact NE1-CG 3.83Å; W1734-Y1743 PolarHBondContact O-N 3.45Å; D1736-Y1743 HydrophobicContact CB-CE2 3.8Å; D1736-Y1743 PolarHBondContact OD2-OH 3.12Å; V1741-Y1743 HydrophobicContact CG2-CE1 4.49Å; V1741-Y1743 HydrophobicContact CG2-CE2 3.83Å; Y1743-R1749 WeakPolarHBondContact CA-O 3.42Å; Y1743-R1750 HydrophobicContact CD1-CB 3.84Å; Y1743-R1750 HydrophobicContact CD1-CG 3.98Å; Y1743-R1750 HydrophobicContact CE1-CB 3.77Å; Y1743-R1750 HydrophobicContact CE1-CG 3.51Å |
| 1744 | S | 83.6 | Confident | 81 | Confident | 7 Ų | 7 | 37.7 Ų | 37.7 | 5% | 0.049 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 144.5 | 164.9 | 164.3 | 0 | 0 | 0 | 0 | 106.7 | T1731 N1746 P1747 D1748 R1749 | T1731-S1744 WeakPolarHBondContact CG2-OG 3.22Å; S1744-N1746 PolarHBondContact OG-N 3.44Å; S1744-P1747 CarbonylContact C-O 3.6Å; S1744-P1747 VanDerWaalsContact C-O 3.28Å; S1744-P1747 VanDerWaalsContact CB-O 3.26Å; S1744-P1747 WeakPolarHBondContact CB-O 3.44Å; S1744-P1747 VanDerWaalsContact O-O 3.08Å; S1744-P1747 PolarHBondContact OG-O 3.04Å; S1744-D1748 CarbonylContact O-C 3.56Å; S1744-D1748 VanDerWaalsContact O-CA 3.28Å; S1744-D1748 WeakPolarHBondContact O-CA 3.38Å; S1744-R1749 PolarHBondContact N-O 2.87Å; S1744-R1749 PolarHBondContact O-N 3.36Å |
| 1745 | I | 73.4 | Confident | 80.3 | Confident | 38 Ų | 38 | 45.2 Ų | 45.2 | 20% | 0.195 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | -25.9 | 170.4 | -163.7 | 163.5 | 0 | 0 | 0 | 113.9 | I1712 L1732 W1734 P1747 D1748 | I1712-I1745 HydrophobicContact CG2-CD1 3.1Å; L1732-I1745 HydrophobicContact CB-CG2 3.79Å; L1732-I1745 PolarHBondContact O-N 3.38Å; L1732-I1745 VanDerWaalsContact O-N 3.17Å; W1734-I1745 HydrophobicContact CH2-CB 4.42Å; W1734-I1745 HydrophobicContact CZ3-CB 4.06Å; I1745-P1747 CarbonylContact C-O 3.58Å; I1745-P1747 CarbonylContact O-C 3.58Å; I1745-P1747 VanDerWaalsContact O-C 3.24Å; I1745-D1748 WeakPolarHBondContact O-CA 3.35Å; I1745-D1748 PolarHBondContact O-N 2.89Å |
| 1746 | N | 63.2 | Low | 79.4 | Confident | 24 Ų | 24 | 46.6 Ų | 46.6 | 13% | 0.128 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -134.2 | 91 | -177.6 | -74.9 | -27.1 | 0 | 0 | 0 | 108.6 | I1450 T1731 S1744 | I1450-N1746 HydrophobicContact CG2-CB 4.16Å; I1450-N1746 VanDerWaalsContact CG2-ND2 3.34Å; I1450-N1746 WeakPolarHBondContact CG2-ND2 3.38Å; T1731-N1746 WeakPolarHBondContact CG2-O 3.41Å; T1731-N1746 PolarHBondContact OG1-O 3.37Å; S1744-N1746 PolarHBondContact OG-N 3.44Å |
| 1747 | P | 59 | Low | 78.1 | Confident | 13 Ų | 13 | 49.2 Ų | 49.2 | 8% | 0.084 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -72 | 153 | -1.2 | 32.8 | -39 | 0 | 0 | 0 | 113.5 | E1472 S1744 I1745 R1749 | E1472-P1747 HydrophobicContact CB-CB 4.07Å; E1472-P1747 HydrophobicContact CG-CB 3.66Å; E1472-P1747 WeakPolarHBondContact OE2-CB 3.21Å; S1744-P1747 CarbonylContact C-O 3.6Å; S1744-P1747 VanDerWaalsContact C-O 3.28Å; S1744-P1747 VanDerWaalsContact CB-O 3.26Å; S1744-P1747 WeakPolarHBondContact CB-O 3.44Å; S1744-P1747 VanDerWaalsContact O-O 3.08Å; S1744-P1747 PolarHBondContact OG-O 3.04Å; I1745-P1747 CarbonylContact C-O 3.58Å; I1745-P1747 CarbonylContact O-C 3.58Å; I1745-P1747 VanDerWaalsContact O-C 3.24Å; P1747-R1749 HydrophobicContact CB-CG 4.02Å; P1747-R1749 HydrophobicContact CG-CG 3.94Å; P1747-R1749 VanDerWaalsContact CG-NE 3.26Å; P1747-R1749 PolarHBondContact O-N 2.85Å |
| 1748 | D | 68.4 | Low | 76.9 | Confident | 96 Ų | 96 | 52.6 Ų | 52.6 | 51% | 0.513 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 100.2 | 177.4 | -175.2 | 27.2 | 0 | 0 | 0 | 109.5 | S1744 I1745 | S1744-D1748 CarbonylContact O-C 3.56Å; S1744-D1748 VanDerWaalsContact O-CA 3.28Å; S1744-D1748 WeakPolarHBondContact O-CA 3.38Å; I1745-D1748 WeakPolarHBondContact O-CA 3.35Å; I1745-D1748 PolarHBondContact O-N 2.89Å |
| 1749 | R | 76.5 | Confident | 76 | Confident | 52 Ų | 52 | 51.1 Ų | 51.1 | 20% | 0.196 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 143 | -171.8 | -63.5 | -170.2 | -168.8 | 170.7 | 13.1 | 110.4 | E1472 D1495 Y1743 S1744 P1747 I1751 | E1472-R1749 IonicContact OE2-CZ 3.18Å; E1472-R1749 IonicContact OE2-NE 2.72Å; E1472-R1749 IonicContact OE2-NH2 3.13Å; E1472-R1749 PolarHBondContact OE2-NH2 2.04Å; D1495-R1749 PolarHBondContact O-NH1 2.81Å; Y1743-R1749 WeakPolarHBondContact CA-O 3.42Å; S1744-R1749 PolarHBondContact N-O 2.87Å; S1744-R1749 PolarHBondContact O-N 3.36Å; P1747-R1749 HydrophobicContact CB-CG 4.02Å; P1747-R1749 HydrophobicContact CG-CG 3.94Å; P1747-R1749 VanDerWaalsContact CG-NE 3.26Å; P1747-R1749 PolarHBondContact O-N 2.85Å; R1749-I1751 HydrophobicContact CB-CD1 3.82Å; R1749-I1751 WeakPolarHBondContact O-CD1 3.13Å |
| 1750 | R | 84 | Confident | 74.6 | Confident | 120 Ų | 120 | 52.8 Ų | 52.8 | 45% | 0.453 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 103 | 167.4 | 178.8 | 179.3 | 176.9 | -109.5 | -3.4 | 108.2 | V1741 Y1743 | V1741-R1750 HydrophobicContact CB-CG 4.09Å; V1741-R1750 HydrophobicContact CG1-CG 4.22Å; V1741-R1750 HydrophobicContact CG2-CG 4.13Å; Y1743-R1750 HydrophobicContact CD1-CB 3.84Å; Y1743-R1750 HydrophobicContact CD1-CG 3.98Å; Y1743-R1750 HydrophobicContact CE1-CB 3.77Å; Y1743-R1750 HydrophobicContact CE1-CG 3.51Å |
| 1751 | I | 86.5 | Confident | 74 | Confident | 7 Ų | 7 | 53.6 Ų | 53.6 | 4% | 0.036 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 115.1 | -176.7 | -56.6 | 77.9 | 0 | 0 | 0 | 108.7 | T1499 V1741 Y1742 R1749 | T1499-I1751 HydrophobicContact CG2-CG2 3.64Å; V1741-I1751 VanDerWaalsContact CA-O 3.22Å; V1741-I1751 WeakPolarHBondContact CA-O 3.28Å; V1741-I1751 WeakPolarHBondContact CB-O 3.4Å; Y1742-I1751 HydrophobicContact CD1-CB 4.2Å; Y1742-I1751 HydrophobicContact CD1-CG2 4.49Å; Y1742-I1751 HydrophobicContact CD2-CB 4.36Å; Y1742-I1751 HydrophobicContact CD2-CD1 4.02Å; Y1742-I1751 HydrophobicContact CD2-CG1 4.5Å; Y1742-I1751 HydrophobicContact CE1-CB 3.78Å; Y1742-I1751 HydrophobicContact CE1-CG1 4.49Å; Y1742-I1751 HydrophobicContact CE1-CG2 3.72Å; Y1742-I1751 HydrophobicContact CE2-CB 3.96Å; Y1742-I1751 HydrophobicContact CE2-CD1 3.64Å; Y1742-I1751 HydrophobicContact CE2-CG1 3.85Å; Y1742-I1751 HydrophobicContact CG-CB 4.48Å; Y1742-I1751 PolarHBondContact N-O 2.73Å; Y1742-I1751 VanDerWaalsContact N-O 3.16Å; Y1742-I1751 PolarHBondContact O-N 2.98Å; R1749-I1751 HydrophobicContact CB-CD1 3.82Å; R1749-I1751 WeakPolarHBondContact O-CD1 3.13Å |
| 1752 | R | 86.8 | Confident | 73.8 | Confident | 134 Ų | 134 | 53.5 Ų | 53.5 | 51% | 0.506 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 129.1 | 172.2 | -172.9 | 174.3 | -176.2 | 133.5 | 6.1 | 110.8 | N1497 V1498 T1499 V1741 | N1497-R1752 PolarHBondContact O-N 2.78Å; V1498-R1752 VanDerWaalsContact CA-O 3.31Å; V1498-R1752 WeakPolarHBondContact CA-O 3.32Å; T1499-R1752 PolarHBondContact N-O 2.76Å; V1741-R1752 HydrophobicContact CG1-CB 4.29Å; V1741-R1752 HydrophobicContact CG1-CG 4.43Å |
| 1753 | V | 86.3 | Confident | 73.4 | Confident | 4 Ų | 4 | 55 Ų | 55 | 2% | 0.024 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 124.5 | 178.8 | -173.6 | 0 | 0 | 0 | 0 | 109 | L1482 T1499 A1501 T1740 Y1742 V1756 F1762 | L1482-V1753 HydrophobicContact CD1-CG1 4.45Å; L1482-V1753 HydrophobicContact CD1-CG2 3.83Å; T1499-V1753 HydrophobicContact CG2-CG2 4.14Å; A1501-V1753 HydrophobicContact CB-CG1 3.68Å; T1740-V1753 PolarHBondContact O-N 3.25Å; Y1742-V1753 HydrophobicContact CD1-CG2 3.83Å; Y1742-V1753 HydrophobicContact CE1-CG2 3.99Å; V1753-V1756 HydrophobicContact CB-CG2 4.11Å; V1753-V1756 HydrophobicContact CG1-CG2 3.71Å; V1753-F1762 HydrophobicContact CB-CE2 4.2Å; V1753-F1762 HydrophobicContact CB-CZ 3.83Å; V1753-F1762 HydrophobicContact CG1-CZ 4.2Å; V1753-F1762 HydrophobicContact CG2-CE2 3.78Å; V1753-F1762 HydrophobicContact CG2-CZ 3.86Å |
| 1754 | R | 84.5 | Confident | 73.3 | Confident | 142 Ų | 142 | 54.8 Ų | 54.8 | 54% | 0.536 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 161.1 | 173.9 | -73 | -173.3 | 179.6 | -171.3 | 4.8 | 111.3 | V1498 T1499 A1501 V1756 | V1498-R1754 HydrophobicContact CG1-CG 3.73Å; T1499-R1754 PolarHBondContact O-N 2.75Å; A1501-R1754 WeakPolarHBondContact CB-O 3.02Å; A1501-R1754 PolarHBondContact N-O 3.26Å; R1754-V1756 VanDerWaalsContact C-N 3.3Å |
| 1755 | Y | 75.9 | Confident | 73.6 | Confident | 161 Ų | 161 | 54.7 Ų | 54.7 | 63% | 0.631 | 26% | 0.257 | S | S | * | . | S | Bend | trans | 64.3 | 31.3 | -176.2 | -48.6 | -85.4 | 0 | 0 | 0 | 113.8 | K1500 | K1500-Y1755 HydrophobicContact CB-CD2 4.03Å; K1500-Y1755 HydrophobicContact CB-CE2 4.19Å; K1500-Y1755 HydrophobicContact CD-CD2 4.26Å; K1500-Y1755 HydrophobicContact CD-CE2 3.57Å; K1500-Y1755 HydrophobicContact CG-CD2 4.06Å; K1500-Y1755 HydrophobicContact CG-CE2 3.73Å; K1500-Y1755 PolarHBondContact NZ-OH 3.31Å |
| 1756 | V | 71.7 | Confident | 74.4 | Confident | 29 Ų | 29 | 53.2 Ų | 53.2 | 18% | 0.176 | 25% | 0.25 | C | C | . | . | trans | -89.4 | 126.2 | 160.9 | -170.3 | 0 | 0 | 0 | 0 | 106.7 | L1489 T1740 V1753 R1754 F1762 | L1489-V1756 HydrophobicContact CD1-CB 4.44Å; L1489-V1756 HydrophobicContact CD1-CG1 4.13Å; L1489-V1756 HydrophobicContact CD1-CG2 3.84Å; T1740-V1756 HydrophobicContact CG2-CB 4.08Å; T1740-V1756 HydrophobicContact CG2-CG1 3.88Å; T1740-V1756 HydrophobicContact CG2-CG2 4.19Å; V1753-V1756 HydrophobicContact CB-CG2 4.11Å; V1753-V1756 HydrophobicContact CG1-CG2 3.71Å; R1754-V1756 VanDerWaalsContact C-N 3.3Å; V1756-F1762 HydrophobicContact CG1-CE1 4.47Å; V1756-F1762 HydrophobicContact CG2-CE1 4.27Å; V1756-F1762 HydrophobicContact CG2-CZ 4.08Å | ||
| 1757 | C | 59.3 | Low | 75.5 | Confident | 57 Ų | 57 | 52.8 Ų | 52.8 | 39% | 0.385 | 25% | 0.248 | S | C | . | . | trans | -92.1 | 143.5 | 173.6 | 135.1 | 0 | 0 | 0 | 0 | 110.2 | D1486 S1759 | D1486-C1757 PolarHBondContact OD1-SG 2.59Å; D1486-C1757 WeakPolarHBondContact OD2-CA 3.44Å; D1486-C1757 WeakPolarHBondContact OD2-CB 3.49Å; D1486-C1757 PolarHBondContact OD2-N 2.96Å; C1757-S1759 PolarHBondContact O-N 3.41Å | ||
| 1758 | C | 51.8 | Low | 76.4 | Confident | 86 Ų | 86 | 52.9 Ų | 52.9 | 58% | 0.581 | 25% | 0.248 | S | C | * | . | S | Bend | trans | 70.3 | -12.6 | 148.1 | -44 | 0 | 0 | 0 | 0 | 118.5 | E1087 K1089 | E1087-C1758 WeakPolarHBondContact CG-O 3.39Å; E1087-C1758 WeakPolarHBondContact OE1-CB 3.02Å; K1089-C1758 VanDerWaalsContact CE-CB 3.41Å |
| 1759 | S | 53.4 | Low | 76.7 | Confident | 9 Ų | 9 | 48.8 Ų | 48.8 | 6% | 0.063 | 23% | 0.228 | C | C | . | . | trans | -133.5 | 157.5 | 171.1 | 167.2 | 0 | 0 | 0 | 0 | 112.7 | E1087 D1485 T1740 C1757 R1761 | E1087-S1759 WeakPolarHBondContact OE1-CB 3.34Å; E1087-S1759 PolarHBondContact OE1-N 3Å; E1087-S1759 VanDerWaalsContact OE1-N 3.07Å; D1485-S1759 WeakPolarHBondContact OD2-CB 3.24Å; D1485-S1759 PolarHBondContact OD2-OG 3.34Å; T1740-S1759 WeakPolarHBondContact CG2-O 3.34Å; C1757-S1759 PolarHBondContact O-N 3.41Å; S1759-R1761 PolarHBondContact OG-N 3.24Å | ||
| 1760 | N | 52.6 | Low | 76.6 | Confident | 96 Ų | 96 | 51.7 Ų | 51.7 | 51% | 0.513 | 25% | 0.248 | S | C | . | . | trans | -98.6 | 8.1 | -175.8 | -81.1 | -45.3 | 0 | 0 | 0 | 114.5 | T1738 K1739 T1740 | T1738-N1760 CarbonylContact C-O 3.58Å; K1739-N1760 CarbonylContact C-O 3.55Å; K1739-N1760 WeakPolarHBondContact CA-O 3.46Å; K1739-N1760 PolarHBondContact N-O 2.83Å; T1740-N1760 PolarHBondContact N-O 2.7Å | ||
| 1761 | R | 71.9 | Confident | 76.2 | Confident | 33 Ų | 33 | 47.5 Ų | 47.5 | 13% | 0.125 | 24% | 0.237 | C | C | . | . | trans | -137.1 | 154.5 | -157.5 | -53.4 | -179 | -173.6 | -104.3 | -6.7 | 115 | Y1086 A1737 S1759 | Y1086-R1761 VanDerWaalsContact CB-NE 3.29Å; Y1086-R1761 VanDerWaalsContact CD1-NE 3.26Å; Y1086-R1761 VanDerWaalsContact CD2-CD 3.49Å; Y1086-R1761 VanDerWaalsContact CD2-NE 3.34Å; Y1086-R1761 VanDerWaalsContact CE2-NH1 3.31Å; Y1086-R1761 VanDerWaalsContact CZ-CZ 3.42Å; A1737-R1761 WeakPolarHBondContact O-CD 3.46Å; A1737-R1761 VanDerWaalsContact O-CG 3.24Å; A1737-R1761 WeakPolarHBondContact O-CG 3.01Å; A1737-R1761 PolarHBondContact O-NH1 2.79Å; S1759-R1761 PolarHBondContact OG-N 3.24Å | ||
| 1762 | F | 84.1 | Confident | 75.3 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.253 | C | S | . | . | trans | -130.8 | 119.6 | 170.8 | -57.4 | -46.8 | 0 | 0 | 0 | 110.8 | L1482 T1483 L1489 S1722 T1735 T1740 V1753 V1756 | L1482-F1762 HydrophobicContact CB-CD1 4.18Å; L1482-F1762 HydrophobicContact CB-CE1 4.3Å; L1482-F1762 HydrophobicContact CD1-CD2 4.43Å; L1482-F1762 HydrophobicContact CD1-CE1 4.35Å; L1482-F1762 HydrophobicContact CD1-CE2 3.99Å; L1482-F1762 HydrophobicContact CD1-CZ 3.96Å; L1482-F1762 HydrophobicContact CD2-CB 4.2Å; L1482-F1762 HydrophobicContact CD2-CD1 4.36Å; L1482-F1762 HydrophobicContact CD2-CD2 3.79Å; L1482-F1762 HydrophobicContact CD2-CE2 4.18Å; L1482-F1762 HydrophobicContact CD2-CG 3.88Å; T1483-F1762 WeakPolarHBondContact O-CA 2.98Å; T1483-F1762 WeakPolarHBondContact O-CD1 3.33Å; L1489-F1762 HydrophobicContact CD1-CE1 4.11Å; S1722-F1762 WeakPolarHBondContact CB-O 3.35Å; S1722-F1762 PolarHBondContact OG-O 2.81Å; T1735-F1762 HydrophobicContact CG2-CB 3.5Å; T1735-F1762 HydrophobicContact CG2-CD2 4.01Å; T1735-F1762 HydrophobicContact CG2-CG 4.18Å; T1735-F1762 PolarHBondContact OG1-O 3.46Å; T1740-F1762 VanDerWaalsContact C-CE2 3.43Å; T1740-F1762 HydrophobicContact CG2-CE1 4.43Å; T1740-F1762 HydrophobicContact CG2-CZ 4.18Å; V1753-F1762 HydrophobicContact CB-CE2 4.2Å; V1753-F1762 HydrophobicContact CB-CZ 3.83Å; V1753-F1762 HydrophobicContact CG1-CZ 4.2Å; V1753-F1762 HydrophobicContact CG2-CE2 3.78Å; V1753-F1762 HydrophobicContact CG2-CZ 3.86Å; V1756-F1762 HydrophobicContact CG1-CE1 4.47Å; V1756-F1762 HydrophobicContact CG2-CE1 4.27Å; V1756-F1762 HydrophobicContact CG2-CZ 4.08Å | ||
| 1763 | Q | 80.9 | Confident | 73.9 | Confident | 36 Ų | 36 | 52 Ų | 52 | 17% | 0.168 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -87.9 | -37.2 | -177.2 | -67.3 | -62.5 | -13.9 | 0 | 0 | 113.8 | T1483 G1724 | T1483-Q1763 PolarHBondContact OG1-N 3.27Å; G1724-Q1763 WeakPolarHBondContact CA-O 3.4Å; G1724-Q1763 PolarHBondContact N-O 2.78Å |
| 1764 | A | 86.4 | Confident | 72.4 | Confident | 6 Ų | 6 | 56.7 Ų | 56.7 | 5% | 0.05 | 31% | 0.307 | C | S | . | . | trans | -135 | 150.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | T1483 M1517 | T1483-A1764 HydrophobicContact CG2-CB 3.96Å; T1483-A1764 PolarHBondContact N-O 2.8Å; T1483-A1764 PolarHBondContact OG1-N 2.9Å; T1483-A1764 PolarHBondContact OG1-O 3.17Å; M1517-A1764 HydrophobicContact CB-CB 4.11Å | ||
| 1765 | L | 90 | Very high | 71.6 | Confident | 5 Ų | 5 | 51 Ų | 51 | 3% | 0.026 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 139.5 | 175.9 | 169.4 | 149.6 | 0 | 0 | 0 | 108.8 | V1480 L1481 L1482 T1726 L1733 T1735 Y1742 | V1480-L1765 HydrophobicContact CG1-CD1 3.71Å; V1480-L1765 HydrophobicContact CG1-CG 4.03Å; L1481-L1765 WeakPolarHBondContact O-CA 3.45Å; L1482-L1765 HydrophobicContact CD2-CB 4.13Å; L1482-L1765 HydrophobicContact CD2-CD1 3.78Å; L1482-L1765 HydrophobicContact CD2-CG 4.27Å; T1726-L1765 HydrophobicContact CG2-CD2 3.32Å; L1733-L1765 HydrophobicContact CB-CD1 4.26Å; L1733-L1765 HydrophobicContact CB-CD2 3.7Å; L1733-L1765 HydrophobicContact CD1-CD2 4.41Å; T1735-L1765 HydrophobicContact CG2-CB 3.79Å; T1735-L1765 HydrophobicContact CG2-CD1 3.99Å; Y1742-L1765 HydrophobicContact CD2-CD1 4.3Å; Y1742-L1765 HydrophobicContact CG-CD1 4.1Å |
| 1766 | S | 89.3 | Confident | 71.7 | Confident | 7 Ų | 7 | 46.7 Ų | 46.7 | 5% | 0.049 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 158.6 | 172.8 | -150.5 | 0 | 0 | 0 | 0 | 110.5 | L1481 G1519 | L1481-S1766 PolarHBondContact N-O 2.92Å; L1481-S1766 PolarHBondContact O-N 3.06Å; G1519-S1766 PolarHBondContact N-OG 3.34Å; G1519-S1766 VanDerWaalsContact N-OG 3.14Å |
| 1767 | V | 87 | Confident | 72.3 | Confident | 16 Ų | 16 | 45.6 Ų | 45.6 | 10% | 0.097 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 126.5 | 177.1 | 174.8 | 0 | 0 | 0 | 0 | 109.2 | F1478 T1479 V1480 T1726 Y1728 L1733 | F1478-V1767 HydrophobicContact CB-CG1 4.4Å; F1478-V1767 HydrophobicContact CD2-CG1 3.66Å; F1478-V1767 HydrophobicContact CD2-CG2 4.2Å; F1478-V1767 HydrophobicContact CE2-CG1 4.28Å; F1478-V1767 HydrophobicContact CE2-CG2 4.06Å; F1478-V1767 HydrophobicContact CG-CG1 4.25Å; T1479-V1767 WeakPolarHBondContact O-CA 3.04Å; V1480-V1767 HydrophobicContact CG2-CG2 4.41Å; T1726-V1767 HydrophobicContact CG2-CG2 3.87Å; Y1728-V1767 HydrophobicContact CD1-CG1 3.67Å; Y1728-V1767 HydrophobicContact CD2-CG1 3.97Å; Y1728-V1767 HydrophobicContact CE1-CG1 4.06Å; Y1728-V1767 HydrophobicContact CE2-CG1 4.38Å; Y1728-V1767 HydrophobicContact CG-CB 4.22Å; Y1728-V1767 HydrophobicContact CG-CG1 3.6Å; L1733-V1767 HydrophobicContact CD1-CG2 3.53Å |
| 1768 | L | 76.6 | Confident | 73.5 | Confident | 15 Ų | 15 | 43.9 Ų | 43.9 | 8% | 0.079 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 109.6 | 168 | -165.9 | 93.9 | 0 | 0 | 0 | 108.3 | T1479 L1481 Q1524 I1526 S1541 | T1479-L1768 PolarHBondContact O-N 3.46Å; L1481-L1768 HydrophobicContact CD1-CB 4.15Å; Q1524-L1768 VanDerWaalsContact OE1-CD2 3.3Å; I1526-L1768 HydrophobicContact CG2-CD1 4.31Å; S1541-L1768 WeakPolarHBondContact OG-CD2 3.47Å |
| 1769 | G | 74.6 | Confident | 75.2 | Confident | 10 Ų | 10 | 39.9 Ų | 39.9 | 10% | 0.103 | 23% | 0.234 | C | C | . | . | trans | -146 | -176 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | C1521 Q1524 Y1728 | C1521-G1769 VanDerWaalsContact CB-O 3.29Å; C1521-G1769 WeakPolarHBondContact CB-O 3.4Å; Q1524-G1769 PolarHBondContact NE2-O 2.86Å; Q1524-G1769 VanDerWaalsContact NE2-O 3.17Å; Y1728-G1769 WeakPolarHBondContact OH-CA 3.17Å | ||
| 1770 | D | 75.8 | Confident | 76.7 | Confident | 113 Ų | 113 | 41.3 Ų | 41.3 | 60% | 0.604 | 24% | 0.243 | S | C | * | . | P | Polyproline II helix | trans | -71.3 | 140.5 | 176.7 | -56 | -56.4 | 0 | 0 | 0 | 110.3 | Y1728 | Y1728-D1770 PolarHBondContact OH-N 2.92Š|
| 1771 | C | 74.4 | Confident | 78 | Confident | 32 Ų | 32 | 44.5 Ų | 44.5 | 22% | 0.216 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -63.3 | 148.4 | 167.2 | -63.9 | 0 | 0 | 0 | 0 | 110.6 | C1521 N1522 Q1773 | C1521-C1771 HydrophobicContact CB-CB 4.07Å; C1521-C1771 WeakPolarHBondContact CB-SG 3.31Å; C1521-C1771 WeakPolarHBondContact SG-CA 3.08Å; C1521-C1771 WeakPolarHBondContact SG-CB 3.49Å; C1521-C1771 CovalentContact SG-SG 2.05Å; C1521-C1771 PolarHBondContact SG-SG 3.44Å; N1522-C1771 PolarHBondContact N-SG 3.3Å; C1771-Q1773 PolarHBondContact O-N 3.48Å |
| 1772 | P | 67.1 | Low | 78.4 | Confident | 59 Ų | 59 | 48 Ų | 48 | 38% | 0.383 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -51.8 | 125.1 | 167.8 | -24.4 | 34 | 0 | 0 | 0 | 110.1 | A1774 | P1772-A1774 PolarHBondContact O-N 3.23Š|
| 1773 | Q | 58.9 | Low | 78.4 | Confident | 177 Ų | 177 | 49.5 Ų | 49.5 | 83% | 0.827 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | 141.8 | -175.3 | -67.4 | -161.8 | 0 | 0 | 0 | 111.6 | C1771 | C1771-Q1773 PolarHBondContact O-N 3.48Š|
| 1774 | A | 55 | Low | 78.5 | Confident | 101 Ų | 101 | 47.8 Ų | 47.8 | 84% | 0.835 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.8 | 22.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 118 | P1772 | P1772-A1774 PolarHBondContact O-N 3.23Š|
| 1775 | S | 67.1 | Low | 78.2 | Confident | 23 Ų | 23 | 57.4 Ų | 57.4 | 16% | 0.161 | 31% | 0.313 | C | S | . | . | trans | -89.4 | 139.1 | 162.9 | 56.3 | 0 | 0 | 0 | 0 | 112.1 | L1569 T1619 | L1569-S1775 VanDerWaalsContact CD2-O 3.31Å; L1569-S1775 WeakPolarHBondContact CD2-O 3.46Å; T1619-S1775 WeakPolarHBondContact OG1-CB 3.49Å | ||
| 1776 | T | 76.8 | Confident | 77.9 | Confident | 70 Ų | 70 | 57.5 Ų | 57.5 | 43% | 0.429 | 31% | 0.314 | S | S | . | . | trans | -146.9 | 142.8 | 172.1 | 60.8 | 0 | 0 | 0 | 0 | 108.5 | Y1781 | T1776-Y1781 HydrophobicContact CG2-CE2 3.79Š| ||
| 1777 | N | 84.9 | Confident | 77.5 | Confident | 6 Ų | 6 | 64.9 Ų | 64.9 | 3% | 0.032 | 34% | 0.341 | C | S | . | . | trans | -116.3 | 173.5 | 173.5 | 77.8 | 24.1 | 0 | 0 | 0 | 110.5 | D1567 L1569 S1618 C1779 T1780 P1792 | D1567-N1777 PolarHBondContact OD1-ND2 2.95Å; D1567-N1777 PolarHBondContact OD2-ND2 3.43Å; L1569-N1777 HydrophobicContact CD1-CB 4.19Å; S1618-N1777 WeakPolarHBondContact O-CB 3.32Å; S1618-N1777 PolarHBondContact O-ND2 2.95Å; N1777-C1779 PolarHBondContact O-N 3.05Å; N1777-C1779 VanDerWaalsContact O-N 3.08Å; N1777-C1779 WeakPolarHBondContact OD1-CA 3.18Å; N1777-C1779 WeakPolarHBondContact OD1-CB 3.43Å; N1777-C1779 PolarHBondContact OD1-N 3.26Å; N1777-T1780 PolarHBondContact N-OG1 3.21Å; N1777-T1780 WeakPolarHBondContact O-CB 3.47Å; N1777-T1780 PolarHBondContact O-N 2.83Å; N1777-T1780 VanDerWaalsContact O-N 3.15Å; N1777-T1780 PolarHBondContact O-OG1 3.26Å; N1777-T1780 PolarHBondContact OD1-N 2.92Å; N1777-T1780 VanDerWaalsContact OD1-N 3.15Å; N1777-T1780 PolarHBondContact OD1-OG1 2.85Å; N1777-P1792 HydrophobicContact CB-CB 4.22Å | ||
| 1778 | P | 84.2 | Confident | 77.4 | Confident | 22 Ų | 22 | 65.2 Ų | 65.2 | 14% | 0.143 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -8.7 | -172.2 | -23.1 | 38.4 | 0 | 0 | 0 | 113.8 | G1784 G1796 R1797 S1798 R1799 | P1778-G1784 WeakPolarHBondContact O-CA 3.34Å; P1778-G1796 VanDerWaalsContact CD-O 3.23Å; P1778-G1796 WeakPolarHBondContact CD-O 3.3Å; P1778-G1796 WeakPolarHBondContact CG-O 3.14Å; P1778-R1797 WeakPolarHBondContact CG-O 2.98Å; P1778-S1798 WeakPolarHBondContact CG-O 3.48Å; P1778-R1799 HydrophobicContact CB-CB 4.23Å; P1778-R1799 HydrophobicContact CB-CG 4.47Å; P1778-R1799 WeakPolarHBondContact O-CD 3.28Å; P1778-R1799 PolarHBondContact O-NH1 3.35Å |
| 1779 | C | 89.2 | Confident | 78 | Confident | 2 Ų | 2 | 64.6 Ų | 64.6 | 1% | 0.014 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -20.4 | 176.7 | -61.8 | 0 | 0 | 0 | 0 | 113.2 | N1777 Y1781 N1783 G1784 C1790 | N1777-C1779 PolarHBondContact O-N 3.05Å; N1777-C1779 VanDerWaalsContact O-N 3.08Å; N1777-C1779 WeakPolarHBondContact OD1-CA 3.18Å; N1777-C1779 WeakPolarHBondContact OD1-CB 3.43Å; N1777-C1779 PolarHBondContact OD1-N 3.26Å; C1779-Y1781 VanDerWaalsContact C-N 3.29Å; C1779-Y1781 PolarHBondContact O-N 3.32Å; C1779-N1783 VanDerWaalsContact O-CA 3.3Å; C1779-N1783 WeakPolarHBondContact O-CA 3.43Å; C1779-N1783 PolarHBondContact O-N 2.72Å; C1779-G1784 PolarHBondContact O-N 3.05Å; C1779-C1790 WeakPolarHBondContact CA-SG 3.22Å; C1779-C1790 HydrophobicContact CB-CB 3.68Å; C1779-C1790 WeakPolarHBondContact CB-SG 3.35Å; C1779-C1790 WeakPolarHBondContact SG-CB 3.47Å; C1779-C1790 PolarHBondContact SG-O 3.27Å; C1779-C1790 CovalentContact SG-SG 2.04Å; C1779-C1790 PolarHBondContact SG-SG 3.24Å |
| 1780 | T | 84.7 | Confident | 78.9 | Confident | 39 Ų | 39 | 64.1 Ų | 64.1 | 24% | 0.239 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -42.8 | 178.9 | -53.9 | 0 | 0 | 0 | 0 | 113.7 | L1569 N1777 | L1569-T1780 WeakPolarHBondContact O-CA 3.38Å; L1569-T1780 VanDerWaalsContact O-CB 3.3Å; L1569-T1780 WeakPolarHBondContact O-CB 3.39Å; L1569-T1780 WeakPolarHBondContact O-CG2 3.06Å; L1569-T1780 PolarHBondContact O-OG1 2.87Å; N1777-T1780 PolarHBondContact N-OG1 3.21Å; N1777-T1780 WeakPolarHBondContact O-CB 3.47Å; N1777-T1780 PolarHBondContact O-N 2.83Å; N1777-T1780 VanDerWaalsContact O-N 3.15Å; N1777-T1780 PolarHBondContact O-OG1 3.26Å; N1777-T1780 PolarHBondContact OD1-N 2.92Å; N1777-T1780 VanDerWaalsContact OD1-N 3.15Å; N1777-T1780 PolarHBondContact OD1-OG1 2.85Å |
| 1781 | Y | 79.7 | Confident | 79.6 | Confident | 163 Ų | 163 | 58.8 Ų | 58.8 | 64% | 0.639 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.8 | 118.8 | -177.3 | -64.2 | -76.2 | 0 | 0 | 0 | 111.4 | T1776 C1779 N1783 G1784 | T1776-Y1781 HydrophobicContact CG2-CE2 3.79Å; C1779-Y1781 VanDerWaalsContact C-N 3.29Å; C1779-Y1781 PolarHBondContact O-N 3.32Å; Y1781-N1783 VanDerWaalsContact C-N 3.25Å; Y1781-N1783 PolarHBondContact O-N 3.21Å; Y1781-G1784 PolarHBondContact O-N 2.81Å; Y1781-G1784 VanDerWaalsContact O-N 3.07Å |
| 1782 | S | 80.6 | Confident | 80.4 | Confident | 106 Ų | 106 | 57.2 Ų | 57.2 | 74% | 0.741 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | 53.8 | 36.8 | 177.8 | -52.9 | 0 | 0 | 0 | 0 | 114 | G1784 R1785 | S1782-G1784 PolarHBondContact O-N 2.75Å; S1782-G1784 VanDerWaalsContact O-N 3.16Å; S1782-R1785 PolarHBondContact O-N 2.94Å |
| 1783 | N | 83.6 | Confident | 81.4 | Confident | 31 Ų | 31 | 55.1 Ų | 55.1 | 17% | 0.166 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | 53.2 | 34.5 | -176.7 | -168.8 | 54.6 | 0 | 0 | 0 | 112.5 | C1779 Y1781 R1785 C1786 Y1788 C1790 | C1779-N1783 VanDerWaalsContact O-CA 3.3Å; C1779-N1783 WeakPolarHBondContact O-CA 3.43Å; C1779-N1783 PolarHBondContact O-N 2.72Å; Y1781-N1783 VanDerWaalsContact C-N 3.25Å; Y1781-N1783 PolarHBondContact O-N 3.21Å; N1783-R1785 PolarHBondContact O-N 2.87Å; N1783-R1785 VanDerWaalsContact O-N 3.1Å; N1783-C1786 PolarHBondContact ND2-O 2.79Å; N1783-C1786 WeakPolarHBondContact O-CB 3.28Å; N1783-C1786 PolarHBondContact O-N 2.99Å; N1783-Y1788 PolarHBondContact ND2-O 2.96Å; N1783-C1790 VanDerWaalsContact O-CB 3.22Å; N1783-C1790 WeakPolarHBondContact O-CB 3.05Å |
| 1784 | G | 81.8 | Confident | 82.4 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | 57.2 | 25 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | P1778 C1779 Y1781 S1782 C1786 R1799 | P1778-G1784 WeakPolarHBondContact O-CA 3.34Å; C1779-G1784 PolarHBondContact O-N 3.05Å; Y1781-G1784 PolarHBondContact O-N 2.81Å; Y1781-G1784 VanDerWaalsContact O-N 3.07Å; S1782-G1784 PolarHBondContact O-N 2.75Å; S1782-G1784 VanDerWaalsContact O-N 3.16Å; G1784-C1786 PolarHBondContact O-N 3.09Å; G1784-R1799 VanDerWaalsContact C-CZ 3.47Å; G1784-R1799 PolarHBondContact O-NE 2.97Å; G1784-R1799 PolarHBondContact O-NH2 3.07Å |
| 1785 | R | 80.9 | Confident | 83.4 | Confident | 208 Ų | 208 | 45.4 Ų | 45.4 | 79% | 0.785 | 23% | 0.225 | S | C | * | . | G | 310 helix | trans | 60.2 | 0.4 | -168.6 | -52 | -177.9 | 176.5 | -178 | -1.7 | 115.2 | S1782 N1783 R1787 | S1782-R1785 PolarHBondContact O-N 2.94Å; N1783-R1785 PolarHBondContact O-N 2.87Å; N1783-R1785 VanDerWaalsContact O-N 3.1Å; R1785-R1787 PolarHBondContact O-N 3.12Å |
| 1786 | C | 83 | Confident | 83.6 | Confident | 7 Ų | 7 | 44.8 Ų | 44.8 | 5% | 0.047 | 22% | 0.222 | C | C | . | . | trans | -63.7 | 134.1 | 173.6 | -56.2 | 0 | 0 | 0 | 0 | 109.1 | N1783 G1784 Y1788 C1790 C1801 E1813 | N1783-C1786 PolarHBondContact ND2-O 2.79Å; N1783-C1786 WeakPolarHBondContact O-CB 3.28Å; N1783-C1786 PolarHBondContact O-N 2.99Å; G1784-C1786 PolarHBondContact O-N 3.09Å; C1786-Y1788 VanDerWaalsContact C-N 3.3Å; C1786-Y1788 PolarHBondContact O-N 3.08Å; C1786-C1790 HydrophobicContact CB-CB 3.91Å; C1786-C1790 VanDerWaalsContact SG-CB 3.51Å; C1786-C1790 VanDerWaalsContact SG-SG 3.6Å; C1786-C1801 WeakPolarHBondContact CA-SG 3.02Å; C1786-C1801 HydrophobicContact CB-CB 3.58Å; C1786-C1801 WeakPolarHBondContact CB-SG 3.45Å; C1786-C1801 WeakPolarHBondContact SG-CA 3.31Å; C1786-C1801 WeakPolarHBondContact SG-CB 3.31Å; C1786-C1801 CovalentContact SG-SG 2.03Å; C1786-C1801 PolarHBondContact SG-SG 2.92Å; C1786-E1813 WeakPolarHBondContact CA-OE2 3.29Å | ||
| 1787 | R | 80.9 | Confident | 83.6 | Confident | 162 Ų | 162 | 46.6 Ų | 46.6 | 61% | 0.611 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -61.4 | -37.7 | -179.9 | -179.2 | 174.2 | 163.8 | 172.8 | -8.3 | 112.8 | R1785 E1813 | R1785-R1787 PolarHBondContact O-N 3.12Å; R1787-E1813 WeakPolarHBondContact CB-OE1 3.46Å; R1787-E1813 PolarHBondContact N-OE2 3.5Å |
| 1788 | Y | 86.5 | Confident | 83.6 | Confident | 23 Ų | 23 | 48.5 Ų | 48.5 | 9% | 0.09 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -114.7 | -92.5 | -173.5 | -63.2 | -74.6 | 0 | 0 | 0 | 113.3 | K1590 I1593 N1783 C1786 P1804 E1807 C1810 | K1590-Y1788 PolarHBondContact NZ-O 3.23Å; I1593-Y1788 HydrophobicContact CD1-CD1 3.96Å; I1593-Y1788 HydrophobicContact CG1-CD1 4.4Å; N1783-Y1788 PolarHBondContact ND2-O 2.96Å; C1786-Y1788 VanDerWaalsContact C-N 3.3Å; C1786-Y1788 PolarHBondContact O-N 3.08Å; Y1788-P1804 HydrophobicContact CD1-CG 3.48Å; Y1788-P1804 VanDerWaalsContact CD1-CG 3.48Å; Y1788-P1804 HydrophobicContact CD2-CG 4.29Å; Y1788-P1804 HydrophobicContact CE1-CG 4.07Å; Y1788-P1804 VanDerWaalsContact CG-CD 3.48Å; Y1788-P1804 HydrophobicContact CG-CG 3.62Å; Y1788-E1807 PolarHBondContact OH-OE1 2.81Å; Y1788-E1807 VanDerWaalsContact OH-OE1 3.09Å; Y1788-E1807 PolarHBondContact OH-OE2 2.67Å; Y1788-C1810 HydrophobicContact CE2-CB 4.49Å; Y1788-C1810 VanDerWaalsContact CE2-SG 3.58Å |
| 1789 | I | 89.2 | Confident | 83.8 | Confident | 2 Ų | 2 | 52.2 Ų | 52.2 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 136.9 | 178.3 | -67.6 | 164.4 | 0 | 0 | 0 | 108.3 | I1593 L1791 V1802 | I1593-I1789 HydrophobicContact CG2-CD1 3.69Å; I1593-I1789 HydrophobicContact CG2-CG1 3.67Å; I1789-L1791 HydrophobicContact CG2-CD2 3.57Å; I1789-L1791 HydrophobicContact CG2-CG 4.06Å; I1789-V1802 HydrophobicContact CB-CG2 3.59Å; I1789-V1802 HydrophobicContact CG2-CG2 3.61Å; I1789-V1802 PolarHBondContact N-O 3.05Å; I1789-V1802 PolarHBondContact O-N 3.26Å |
| 1790 | C | 91.5 | Very high | 83.8 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 121.8 | 174.2 | -178.5 | 0 | 0 | 0 | 0 | 108.7 | N1572 C1779 N1783 C1786 | N1572-C1790 PolarHBondContact ND2-O 3.03Å; C1779-C1790 WeakPolarHBondContact CA-SG 3.22Å; C1779-C1790 HydrophobicContact CB-CB 3.68Å; C1779-C1790 WeakPolarHBondContact CB-SG 3.35Å; C1779-C1790 WeakPolarHBondContact SG-CB 3.47Å; C1779-C1790 PolarHBondContact SG-O 3.27Å; C1779-C1790 CovalentContact SG-SG 2.04Å; C1779-C1790 PolarHBondContact SG-SG 3.24Å; N1783-C1790 VanDerWaalsContact O-CB 3.22Å; N1783-C1790 WeakPolarHBondContact O-CB 3.05Å; C1786-C1790 HydrophobicContact CB-CB 3.91Å; C1786-C1790 VanDerWaalsContact SG-CB 3.51Å; C1786-C1790 VanDerWaalsContact SG-SG 3.6Å |
| 1791 | L | 92.4 | Very high | 83.9 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 121.3 | 176.5 | -55.7 | -178.7 | 0 | 0 | 0 | 108.6 | F1574 V1585 Y1595 L1597 I1789 R1799 T1800 V1802 | F1574-L1791 HydrophobicContact CZ-CD2 3.96Å; V1585-L1791 HydrophobicContact CG1-CD2 3.86Å; Y1595-L1791 HydrophobicContact CD1-CD1 4.1Å; Y1595-L1791 HydrophobicContact CE1-CD1 3.99Å; L1597-L1791 HydrophobicContact CD2-CD1 4.25Å; I1789-L1791 HydrophobicContact CG2-CD2 3.57Å; I1789-L1791 HydrophobicContact CG2-CG 4.06Å; L1791-R1799 CarbonylContact O-C 3.54Å; L1791-R1799 WeakPolarHBondContact O-CA 3.11Å; L1791-R1799 VanDerWaalsContact O-CB 3.29Å; L1791-R1799 WeakPolarHBondContact O-CB 3.48Å; L1791-T1800 PolarHBondContact N-O 2.64Å; L1791-T1800 PolarHBondContact O-N 3.39Å; L1791-V1802 HydrophobicContact CD1-CG1 3.91Å; L1791-V1802 HydrophobicContact CD1-CG2 3.94Å; L1791-V1802 HydrophobicContact CG-CG1 4.47Å; L1791-V1802 HydrophobicContact CG-CG2 4.1Å |
| 1792 | P | 90.1 | Very high | 84.3 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 134.4 | 176.8 | 30.9 | -35.4 | 0 | 0 | 0 | 109.4 | M1643 N1777 | M1643-P1792 HydrophobicContact CB-CG 4.28Å; M1643-P1792 WeakPolarHBondContact CB-O 3.39Å; M1643-P1792 HydrophobicContact CE-CG 4.41Å; M1643-P1792 HydrophobicContact CG-CG 4.25Å; M1643-P1792 HydrophobicContact SD-CG 3.51Å; M1643-P1792 VanDerWaalsContact SD-CG 3.51Å; N1777-P1792 HydrophobicContact CB-CB 4.22Å |
| 1793 | N | 87.3 | Confident | 84.5 | Confident | 14 Ų | 14 | 40.5 Ų | 40.5 | 8% | 0.075 | 19% | 0.188 | C | C | . | . | trans | -93.1 | 174.5 | 177.7 | -68.8 | -10.9 | 0 | 0 | 0 | 111 | S1644 G1796 S1798 T1800 | S1644-N1793 VanDerWaalsContact CB-OD1 3.25Å; S1644-N1793 WeakPolarHBondContact CB-OD1 3.01Å; S1644-N1793 PolarHBondContact OG-OD1 2.04Å; N1793-G1796 WeakPolarHBondContact O-CA 3.4Å; N1793-G1796 PolarHBondContact O-N 2.04Å; N1793-S1798 WeakPolarHBondContact CB-OG 3.1Å; N1793-S1798 PolarHBondContact N-O 3.36Å; N1793-T1800 PolarHBondContact ND2-N 2.78Å; N1793-T1800 PolarHBondContact ND2-OG1 2.96Å; N1793-T1800 PolarHBondContact OD1-OG1 2.88Å | ||
| 1794 | D | 80.3 | Confident | 84.7 | Confident | 47 Ų | 47 | 39.2 Ų | 39.2 | 25% | 0.251 | 18% | 0.181 | S | C | . | . | G | 310 helix | trans | -45.6 | 144.2 | -178.4 | -155.1 | -17.8 | 0 | 0 | 0 | 114.5 | L1620 L1622 R1704 G1796 | L1620-D1794 CarbonylContact O-C 3.48Å; L1622-D1794 HydrophobicContact CD2-CB 4.49Å; R1704-D1794 IonicContact CZ-OD2 3.72Å; R1704-D1794 IonicContact NE-OD1 3.28Å; R1704-D1794 IonicContact NE-OD2 2.62Å; R1704-D1794 PolarHBondContact NE-OD2 3Å; R1704-D1794 IonicContact NH2-OD2 2.73Å; R1704-D1794 PolarHBondContact NH2-OD2 3.26Å; D1794-G1796 PolarHBondContact O-N 2.89Å; D1794-G1796 VanDerWaalsContact O-N 3.12Å |
| 1795 | G | 76.5 | Confident | 84.8 | Confident | 27 Ų | 27 | 42.2 Ų | 42.2 | 28% | 0.278 | 20% | 0.197 | S | C | . | . | G | 310 helix | trans | 64 | 2.7 | -171 | 0 | 0 | 0 | 0 | 0 | 115.2 | L1620 R1797 | L1620-G1795 CarbonylContact O-C 3.52Å; L1620-G1795 PolarHBondContact O-N 3.22Å; G1795-R1797 VanDerWaalsContact C-N 3.29Å; G1795-R1797 WeakPolarHBondContact O-CG 3.24Å; G1795-R1797 PolarHBondContact O-N 3.32Å |
| 1796 | G | 71.8 | Confident | 84.6 | Confident | 10 Ų | 10 | 36.4 Ų | 36.4 | 10% | 0.103 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | 67.4 | 24.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | T1619 L1620 P1778 N1793 D1794 | T1619-G1796 WeakPolarHBondContact O-CA 3.46Å; L1620-G1796 VanDerWaalsContact C-N 3.26Å; L1620-G1796 PolarHBondContact O-N 2.03Å; P1778-G1796 VanDerWaalsContact CD-O 3.23Å; P1778-G1796 WeakPolarHBondContact CD-O 3.3Å; P1778-G1796 WeakPolarHBondContact CG-O 3.14Å; N1793-G1796 WeakPolarHBondContact O-CA 3.4Å; N1793-G1796 PolarHBondContact O-N 2.04Å; D1794-G1796 PolarHBondContact O-N 2.89Å; D1794-G1796 VanDerWaalsContact O-N 3.12Å |
| 1797 | R | 77 | Confident | 84.2 | Confident | 109 Ų | 109 | 39.5 Ų | 39.5 | 41% | 0.411 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.4 | -28.9 | -171.2 | -73.2 | 165.9 | 174.8 | -108.1 | -6.6 | 114.4 | F1221 E1223 P1778 G1795 | F1221-R1797 HydrophobicContact CD1-CB 3.75Å; F1221-R1797 HydrophobicContact CD1-CG 4.31Å; F1221-R1797 HydrophobicContact CE1-CB 3.57Å; F1221-R1797 HydrophobicContact CE1-CG 4.4Å; E1223-R1797 VanDerWaalsContact CD-NH1 3.32Å; E1223-R1797 IonicContact OE1-CZ 3.97Å; E1223-R1797 VanDerWaalsContact OE1-CZ 3.26Å; E1223-R1797 IonicContact OE1-NH1 3.67Å; E1223-R1797 PolarHBondContact OE1-NH1 3.09Å; E1223-R1797 IonicContact OE1-NH2 3.08Å; E1223-R1797 PolarHBondContact OE1-NH2 3.4Å; E1223-R1797 IonicContact OE2-NH1 3.85Å; E1223-R1797 PolarHBondContact OE2-NH1 3.48Å; P1778-R1797 WeakPolarHBondContact CG-O 2.98Å; G1795-R1797 VanDerWaalsContact C-N 3.29Å; G1795-R1797 WeakPolarHBondContact O-CG 3.24Å; G1795-R1797 PolarHBondContact O-N 3.32Å |
| 1798 | S | 84.3 | Confident | 83.2 | Confident | 45 Ų | 45 | 37.9 Ų | 37.9 | 32% | 0.315 | 21% | 0.206 | S | C | . | . | trans | -113.4 | 177.4 | 173.5 | 52.4 | 0 | 0 | 0 | 0 | 111.2 | P1778 N1793 | P1778-S1798 WeakPolarHBondContact CG-O 3.48Å; N1793-S1798 WeakPolarHBondContact CB-OG 3.1Å; N1793-S1798 PolarHBondContact N-O 3.36Å | ||
| 1799 | R | 88.3 | Confident | 82 | Confident | 101 Ų | 101 | 40 Ų | 40 | 38% | 0.381 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 151.5 | 179.6 | 66.3 | -142 | 177.3 | -156.8 | -12.5 | 111.3 | P1778 G1784 L1791 | P1778-R1799 HydrophobicContact CB-CB 4.23Å; P1778-R1799 HydrophobicContact CB-CG 4.47Å; P1778-R1799 WeakPolarHBondContact O-CD 3.28Å; P1778-R1799 PolarHBondContact O-NH1 3.35Å; G1784-R1799 VanDerWaalsContact C-CZ 3.47Å; G1784-R1799 PolarHBondContact O-NE 2.97Å; G1784-R1799 PolarHBondContact O-NH2 3.07Å; L1791-R1799 CarbonylContact O-C 3.54Å; L1791-R1799 WeakPolarHBondContact O-CA 3.11Å; L1791-R1799 VanDerWaalsContact O-CB 3.29Å; L1791-R1799 WeakPolarHBondContact O-CB 3.48Å |
| 1800 | T | 88.8 | Confident | 81 | Confident | 26 Ų | 26 | 41.4 Ų | 41.4 | 16% | 0.16 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 126.1 | 169.4 | -59.9 | 0 | 0 | 0 | 0 | 109 | E1646 L1791 N1793 V1802 | E1646-T1800 PolarHBondContact OE1-OG1 3.3Å; E1646-T1800 VanDerWaalsContact OE1-OG1 3.13Å; L1791-T1800 PolarHBondContact N-O 2.64Å; L1791-T1800 PolarHBondContact O-N 3.39Å; N1793-T1800 PolarHBondContact ND2-N 2.78Å; N1793-T1800 PolarHBondContact ND2-OG1 2.96Å; N1793-T1800 PolarHBondContact OD1-OG1 2.88Å; T1800-V1802 HydrophobicContact CG2-CG1 3.84Å |
| 1801 | C | 88 | Confident | 79.6 | Confident | 19 Ų | 19 | 49.3 Ų | 49.3 | 13% | 0.128 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 113.1 | 174.5 | -64.4 | 0 | 0 | 0 | 0 | 109.5 | C1786 E1813 | C1786-C1801 WeakPolarHBondContact CA-SG 3.02Å; C1786-C1801 HydrophobicContact CB-CB 3.58Å; C1786-C1801 WeakPolarHBondContact CB-SG 3.45Å; C1786-C1801 WeakPolarHBondContact SG-CA 3.31Å; C1786-C1801 WeakPolarHBondContact SG-CB 3.31Å; C1786-C1801 CovalentContact SG-SG 2.03Å; C1786-C1801 PolarHBondContact SG-SG 2.92Å; C1801-E1813 HydrophobicContact CB-CB 3.85Å |
| 1802 | V | 87.8 | Confident | 78 | Confident | 3 Ų | 3 | 54.9 Ų | 54.9 | 2% | 0.018 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 139.8 | -174 | -59.1 | 0 | 0 | 0 | 0 | 111.9 | Y1595 I1789 L1791 T1800 | Y1595-V1802 HydrophobicContact CD1-CB 3.91Å; Y1595-V1802 HydrophobicContact CD1-CG1 4.21Å; Y1595-V1802 HydrophobicContact CD1-CG2 3.49Å; Y1595-V1802 VanDerWaalsContact CD1-CG2 3.49Å; Y1595-V1802 HydrophobicContact CD2-CB 3.98Å; Y1595-V1802 HydrophobicContact CD2-CG2 4.14Å; Y1595-V1802 HydrophobicContact CE1-CB 3.9Å; Y1595-V1802 HydrophobicContact CE1-CG1 3.75Å; Y1595-V1802 HydrophobicContact CE1-CG2 3.94Å; Y1595-V1802 HydrophobicContact CE2-CB 3.97Å; Y1595-V1802 HydrophobicContact CE2-CG1 4.33Å; Y1595-V1802 HydrophobicContact CG-CB 3.92Å; Y1595-V1802 HydrophobicContact CG-CG2 3.57Å; I1789-V1802 HydrophobicContact CB-CG2 3.59Å; I1789-V1802 HydrophobicContact CG2-CG2 3.61Å; I1789-V1802 PolarHBondContact N-O 3.05Å; I1789-V1802 PolarHBondContact O-N 3.26Å; L1791-V1802 HydrophobicContact CD1-CG1 3.91Å; L1791-V1802 HydrophobicContact CD1-CG2 3.94Å; L1791-V1802 HydrophobicContact CG-CG1 4.47Å; L1791-V1802 HydrophobicContact CG-CG2 4.1Å; T1800-V1802 HydrophobicContact CG2-CG1 3.84Å |
| 1803 | C | 85.4 | Confident | 76.2 | Confident | 15 Ų | 15 | 59 Ų | 59 | 10% | 0.101 | 33% | 0.325 | C | S | . | . | trans | -76.4 | 148.3 | 174.8 | -71 | 0 | 0 | 0 | 0 | 110.7 | Y1595 C1810 H1811 | Y1595-C1803 WeakPolarHBondContact CD2-O 3.41Å; C1803-C1810 HydrophobicContact CB-CB 3.55Å; C1803-C1810 WeakPolarHBondContact CB-SG 3.44Å; C1803-C1810 WeakPolarHBondContact SG-CB 3.29Å; C1803-C1810 PolarHBondContact SG-O 3.01Å; C1803-C1810 CovalentContact SG-SG 2.04Å; C1803-C1810 PolarHBondContact SG-SG 2.72Å; C1803-H1811 PolarHBondContact SG-O 3.44Å | ||
| 1804 | P | 86.2 | Confident | 74.1 | Confident | 4 Ų | 4 | 70.8 Ų | 70.8 | 3% | 0.026 | 38% | 0.382 | C | S | . | . | trans | -68.1 | 147.6 | 172.3 | -14.3 | 29.3 | 0 | 0 | 0 | 111.6 | I1593 H1594 Y1788 N1806 E1807 | I1593-P1804 HydrophobicContact CB-CG 4.48Å; I1593-P1804 HydrophobicContact CG1-CG 4.16Å; I1593-P1804 HydrophobicContact CG2-CB 4.2Å; I1593-P1804 HydrophobicContact CG2-CG 3.86Å; H1594-P1804 CarbonylContact O-C 3.55Å; H1594-P1804 VanDerWaalsContact O-CA 3.25Å; H1594-P1804 WeakPolarHBondContact O-CA 3.42Å; Y1788-P1804 HydrophobicContact CD1-CG 3.48Å; Y1788-P1804 VanDerWaalsContact CD1-CG 3.48Å; Y1788-P1804 HydrophobicContact CD2-CG 4.29Å; Y1788-P1804 HydrophobicContact CE1-CG 4.07Å; Y1788-P1804 VanDerWaalsContact CG-CD 3.48Å; Y1788-P1804 HydrophobicContact CG-CG 3.62Å; P1804-N1806 VanDerWaalsContact CB-OD1 3.25Å; P1804-N1806 WeakPolarHBondContact CB-OD1 3.36Å; P1804-N1806 PolarHBondContact O-N 3.43Å; P1804-N1806 VanDerWaalsContact O-N 3.16Å; P1804-E1807 PolarHBondContact O-N 3.05Å | ||
| 1805 | D | 84.3 | Confident | 73.8 | Confident | 64 Ų | 64 | 72 Ų | 72 | 34% | 0.342 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -28.5 | 179.3 | -60 | -20.4 | 0 | 0 | 0 | 112.3 | H1594 Y1595 T1596 | H1594-D1805 IonicContact CD2-OD2 2.66Å; H1594-D1805 PolarHBondContact O-N 2.58Å; Y1595-D1805 WeakPolarHBondContact CA-OD1 3.44Å; T1596-D1805 WeakPolarHBondContact CB-OD2 3.42Å; T1596-D1805 VanDerWaalsContact N-CG 3.33Å; T1596-D1805 PolarHBondContact N-OD1 3.35Å; T1596-D1805 PolarHBondContact N-OD2 2.78Å; T1596-D1805 PolarHBondContact OG1-OD2 2.9Å |
| 1806 | N | 78.1 | Confident | 73.6 | Confident | 86 Ų | 86 | 74.4 Ų | 74.4 | 46% | 0.46 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | 0.8 | 179 | 64.6 | 3.5 | 0 | 0 | 0 | 114.8 | N1592 P1804 P1808 | N1592-N1806 PolarHBondContact O-ND2 2.93Å; P1804-N1806 VanDerWaalsContact CB-OD1 3.25Å; P1804-N1806 WeakPolarHBondContact CB-OD1 3.36Å; P1804-N1806 PolarHBondContact O-N 3.43Å; P1804-N1806 VanDerWaalsContact O-N 3.16Å; N1806-P1808 WeakPolarHBondContact O-CD 3.15Å |
| 1807 | E | 74.2 | Confident | 73.7 | Confident | 72 Ų | 72 | 77.9 Ų | 77.9 | 34% | 0.336 | 41% | 0.411 | S | S | . | . | trans | -116.4 | 71.4 | 169.9 | -71.9 | -162.7 | -169.3 | 0 | 0 | 111.9 | Y1788 P1804 G1809 C1810 | Y1788-E1807 PolarHBondContact OH-OE1 2.81Å; Y1788-E1807 VanDerWaalsContact OH-OE1 3.09Å; Y1788-E1807 PolarHBondContact OH-OE2 2.67Å; P1804-E1807 PolarHBondContact O-N 3.05Å; E1807-G1809 PolarHBondContact O-N 3.36Å; E1807-C1810 HydrophobicContact CB-CB 3.96Å; E1807-C1810 WeakPolarHBondContact O-CB 3.45Å; E1807-C1810 PolarHBondContact O-N 2.84Å | ||
| 1808 | P | 59.5 | Low | 73.5 | Confident | 128 Ų | 128 | 76.1 Ų | 76.1 | 83% | 0.831 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -9.3 | 179.7 | 26.3 | -35.8 | 0 | 0 | 0 | 114.6 | N1806 | N1806-P1808 WeakPolarHBondContact O-CD 3.15Š|
| 1809 | G | 61 | Low | 72.9 | Confident | 69 Ų | 69 | 78.1 Ų | 78.1 | 71% | 0.711 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | -1.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | E1807 | E1807-G1809 PolarHBondContact O-N 3.36Š|
| 1810 | C | 68.6 | Low | 71.8 | Confident | 30 Ų | 30 | 76.5 Ų | 76.5 | 20% | 0.203 | 42% | 0.419 | C | S | . | . | P | Polyproline II helix | trans | -77.1 | 124.1 | 173.4 | 175.5 | 0 | 0 | 0 | 0 | 109.4 | Y1788 C1803 E1807 | Y1788-C1810 HydrophobicContact CE2-CB 4.49Å; Y1788-C1810 VanDerWaalsContact CE2-SG 3.58Å; C1803-C1810 HydrophobicContact CB-CB 3.55Å; C1803-C1810 WeakPolarHBondContact CB-SG 3.44Å; C1803-C1810 WeakPolarHBondContact SG-CB 3.29Å; C1803-C1810 PolarHBondContact SG-O 3.01Å; C1803-C1810 CovalentContact SG-SG 2.04Å; C1803-C1810 PolarHBondContact SG-SG 2.72Å; E1807-C1810 HydrophobicContact CB-CB 3.96Å; E1807-C1810 WeakPolarHBondContact O-CB 3.45Å; E1807-C1810 PolarHBondContact O-N 2.84Å |
| 1811 | H | 61.7 | Low | 70.6 | Confident | 167 Ų | 167 | 80.1 Ų | 80.1 | 77% | 0.773 | 44% | 0.438 | S | S | * | . | P | Polyproline II helix | trans | -84.1 | 130.8 | 167.8 | -63.2 | -60.6 | 0 | 0 | 0 | 108.7 | C1803 E1813 | C1803-H1811 PolarHBondContact SG-O 3.44Å; H1811-E1813 PolarHBondContact O-N 2.6Å |
| 1812 | K | 58.7 | Low | 69.3 | Low | 117 Ų | 117 | 84.8 Ų | 84.8 | 51% | 0.509 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -51.4 | 126.6 | 171.9 | -74.2 | -173.6 | 174.6 | -175.9 | 0 | 108.4 | Y1595 M1814 | Y1595-K1812 PolarHBondContact OH-NZ 3.31Å; K1812-M1814 PolarHBondContact O-N 3.15Å |
| 1813 | E | 53.3 | Low | 67.7 | Low | 86 Ų | 86 | 91.7 Ų | 91.7 | 40% | 0.402 | 50% | 0.499 | S | S | . | . | trans | -71.1 | 100.1 | 174 | -67.2 | 176 | 147.2 | 0 | 0 | 106.9 | C1786 R1787 C1801 H1811 | C1786-E1813 WeakPolarHBondContact CA-OE2 3.29Å; R1787-E1813 WeakPolarHBondContact CB-OE1 3.46Å; R1787-E1813 PolarHBondContact N-OE2 3.5Å; C1801-E1813 HydrophobicContact CB-CB 3.85Å; H1811-E1813 PolarHBondContact O-N 2.6Å | ||
| 1814 | M | 41.9 | Very low | 66.1 | Low | 262 Ų | 262 | 98.6 Ų | 98.6 | 100% | 1.291 | 54% | 0.535 | S | S | * | . | trans | -65.6 | 0 | 173.3 | -77.1 | -177.1 | 167 | 0 | 0 | 111.4 | K1812 | K1812-M1814 PolarHBondContact O-N 3.15Š|
Retrieved 1,814 of 1,814 residues in 1226.9 ms
(Link to these results)