| 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 | 57.1 | Low | 63.1 | Low | 172 Ų | 172 | 93.1 Ų | 93.1 | 85% | 0.847 | 57% | 0.567 | S | S | * | * | 0 | 135 | 0 | -72.9 | 171.3 | 175.2 | 0 | 0 | 108.3 | R6 | M1-R6 WeakPolarHBondContact CA-O 3.27Š| |||
| 2 | C | 74.2 | Confident | 63.6 | Low | 12 Ų | 12 | 87.6 Ų | 87.6 | 8% | 0.081 | 54% | 0.535 | C | S | . | . | trans | -79.7 | 163.5 | 171.5 | -46.9 | 0 | 0 | 0 | 0 | 110.6 | G4 G5 R6 C20 | C2-G4 PolarHBondContact O-N 3.19Å; C2-G5 PolarHBondContact O-N 3.45Å; C2-R6 HydrophobicContact CB-CB 4.43Å; C2-R6 PolarHBondContact N-O 3.06Å; C2-R6 VanDerWaalsContact N-O 3.14Å; C2-C20 VanDerWaalsContact CA-SG 3.54Å; C2-C20 HydrophobicContact CB-CB 3.76Å; C2-C20 WeakPolarHBondContact CB-SG 3.38Å; C2-C20 VanDerWaalsContact SG-CA 3.53Å; C2-C20 WeakPolarHBondContact SG-CB 3.47Å; C2-C20 CovalentContact SG-SG 2.02Å; C2-C20 PolarHBondContact SG-SG 2.92Å | ||
| 3 | D | 61.3 | Low | 64.1 | Low | 147 Ų | 147 | 83.3 Ų | 83.3 | 79% | 0.786 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -12.4 | 178.6 | -82.2 | -22.2 | 0 | 0 | 0 | 113.3 | D22 | D3-D22 VanDerWaalsContact CB-OD2 3.29Å; D3-D22 WeakPolarHBondContact CB-OD2 3.35Å; D3-D22 PolarHBondContact N-OD2 3.14Å |
| 4 | G | 62.6 | Low | 64.3 | Low | 74 Ų | 74 | 78.6 Ų | 78.6 | 76% | 0.763 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | 9.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | C2 R6 | C2-G4 PolarHBondContact O-N 3.19Å; G4-R6 PolarHBondContact O-N 3.26Å |
| 5 | G | 62.2 | Low | 64.5 | Low | 62 Ų | 62 | 77.5 Ų | 77.5 | 64% | 0.639 | 47% | 0.471 | S | S | * | . | S | Bend | trans | 72.7 | 12.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | C2 | C2-G5 PolarHBondContact O-N 3.45Š|
| 6 | R | 71 | Confident | 64.8 | Low | 160 Ų | 160 | 76.4 Ų | 76.4 | 60% | 0.604 | 48% | 0.481 | S | S | * | . | trans | -76.4 | 121.8 | 172.6 | -163.5 | -178 | -153.8 | -155.6 | 4.1 | 109.3 | M1 C2 G4 | M1-R6 WeakPolarHBondContact CA-O 3.27Å; C2-R6 HydrophobicContact CB-CB 4.43Å; C2-R6 PolarHBondContact N-O 3.06Å; C2-R6 VanDerWaalsContact N-O 3.14Å; G4-R6 PolarHBondContact O-N 3.26Å | ||
| 7 | C | 65 | Low | 65.8 | Low | 97 Ų | 97 | 79.2 Ų | 79.2 | 66% | 0.655 | 49% | 0.486 | S | S | * | . | trans | -72.9 | 127.5 | 169.9 | -62.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 8 | L | 65.6 | Low | 66.6 | Low | 36 Ų | 36 | 79.6 Ų | 79.6 | 19% | 0.188 | 49% | 0.49 | C | S | . | . | trans | -106.3 | 149.9 | 168.6 | -69.9 | -176.9 | 0 | 0 | 0 | 108.1 | N19 C20 D25 | L8-N19 HydrophobicContact CD1-CB 3.86Å; L8-N19 HydrophobicContact CD2-CB 3.88Å; L8-C20 WeakPolarHBondContact CD1-SG 3.42Å; L8-D25 HydrophobicContact CD1-CB 3.65Å | ||
| 9 | L | 57.9 | Low | 67.4 | Low | 127 Ų | 127 | 77.9 Ų | 77.9 | 67% | 0.665 | 48% | 0.478 | S | S | * | . | trans | -62.6 | 143.4 | 168 | -65.8 | 170 | 0 | 0 | 0 | 108.9 | A11 S12 | L9-A11 PolarHBondContact O-N 3.33Å; L9-S12 WeakPolarHBondContact O-CA 3.4Å; L9-S12 WeakPolarHBondContact O-CB 3.5Å; L9-S12 PolarHBondContact O-N 3Å | ||
| 10 | P | 58.1 | Low | 68.1 | Low | 72 Ų | 72 | 74.3 Ų | 74.3 | 47% | 0.468 | 46% | 0.456 | S | S | . | . | G | 310 helix | trans | -56 | -32.3 | 176.4 | -27.4 | 35.3 | 0 | 0 | 0 | 113.4 | S12 V13 | P10-S12 PolarHBondContact O-N 2.86Å; P10-V13 PolarHBondContact O-N 3.28Å |
| 11 | A | 59.2 | Low | 68.7 | Low | 65 Ų | 65 | 78.9 Ų | 78.9 | 54% | 0.537 | 48% | 0.477 | S | S | . | . | G | 310 helix | trans | -68.3 | -15.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | L9 D15 | L9-A11 PolarHBondContact O-N 3.33Å; A11-D15 WeakPolarHBondContact O-CB 3.35Å |
| 12 | S | 68.9 | Low | 70 | Confident | 27 Ų | 27 | 73.7 Ų | 73.7 | 19% | 0.189 | 45% | 0.453 | C | S | . | . | G | 310 helix | trans | -98.2 | 13 | 179.2 | -57.4 | 0 | 0 | 0 | 0 | 112.8 | L9 P10 D15 N19 | L9-S12 WeakPolarHBondContact O-CA 3.4Å; L9-S12 WeakPolarHBondContact O-CB 3.5Å; L9-S12 PolarHBondContact O-N 3Å; P10-S12 PolarHBondContact O-N 2.86Å; S12-D15 WeakPolarHBondContact CA-OD2 3.45Å; S12-N19 WeakPolarHBondContact CB-ND2 3.3Å; S12-N19 PolarHBondContact O-ND2 2.76Å |
| 13 | V | 69.5 | Low | 70.3 | Confident | 32 Ų | 32 | 79.2 Ų | 79.2 | 19% | 0.194 | 48% | 0.478 | C | S | . | . | S | Bend | trans | -108 | 122.2 | 176.1 | 179.8 | 0 | 0 | 0 | 0 | 108 | P10 D15 D25 K32 H33 | P10-V13 PolarHBondContact O-N 3.28Å; V13-D15 VanDerWaalsContact C-N 3.28Å; V13-D15 PolarHBondContact O-N 2.89Å; V13-D25 WeakPolarHBondContact CG1-O 3.44Å; V13-K32 HydrophobicContact CG1-CD 4.17Å; V13-H33 PolarHBondContact O-NE2 3.19Å |
| 14 | C | 67.6 | Low | 71.3 | Confident | 17 Ų | 17 | 73.8 Ų | 73.8 | 12% | 0.115 | 45% | 0.45 | C | S | . | . | S | Bend | trans | 59.7 | 40.8 | 179.4 | -75.7 | 0 | 0 | 0 | 0 | 112.1 | D25 E26 C29 H33 | C14-D25 PolarHBondContact N-O 3.02Å; C14-D25 VanDerWaalsContact N-O 3.15Å; C14-D25 PolarHBondContact SG-O 3.11Å; C14-E26 WeakPolarHBondContact CA-OE1 3Å; C14-E26 WeakPolarHBondContact CA-OE2 3.48Å; C14-E26 PolarHBondContact N-OE1 3.11Å; C14-C29 HydrophobicContact CB-CB 3.71Å; C14-C29 WeakPolarHBondContact CB-SG 3.26Å; C14-C29 WeakPolarHBondContact SG-CA 3.19Å; C14-C29 WeakPolarHBondContact SG-CB 3.32Å; C14-C29 CovalentContact SG-SG 2.02Å; C14-C29 PolarHBondContact SG-SG 2.82Å; C14-H33 WeakPolarHBondContact CB-CD2 3.39Å; C14-H33 WeakPolarHBondContact CB-NE2 3.41Å; C14-H33 PolarHBondContact O-CE1 3.01Å; C14-H33 VanDerWaalsContact O-CE1 3.28Å; C14-H33 PolarHBondContact O-NE2 3.19Å |
| 15 | D | 66.8 | Low | 71.9 | Confident | 62 Ų | 62 | 70.5 Ų | 70.5 | 33% | 0.332 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -99.4 | 5.8 | 178 | 71.4 | -7.8 | 0 | 0 | 0 | 112.3 | A11 S12 V13 H17 N19 E26 | A11-D15 WeakPolarHBondContact O-CB 3.35Å; S12-D15 WeakPolarHBondContact CA-OD2 3.45Å; V13-D15 VanDerWaalsContact C-N 3.28Å; V13-D15 PolarHBondContact O-N 2.89Å; D15-H17 VanDerWaalsContact C-N 3.26Å; D15-H17 PolarHBondContact O-N 3.38Å; D15-H17 PolarHBondContact O-ND1 2.86Å; D15-H17 WeakPolarHBondContact OD1-CA 3.37Å; D15-H17 WeakPolarHBondContact OD1-CB 3.44Å; D15-H17 PolarHBondContact OD1-N 3.05Å; D15-H17 VanDerWaalsContact OD1-O 3.04Å; D15-N19 PolarHBondContact OD1-ND2 3.24Å; D15-N19 PolarHBondContact OD2-ND2 3.31Å; D15-N19 VanDerWaalsContact OD2-ND2 3.14Å; D15-E26 PolarHBondContact N-OE1 3.23Å |
| 16 | G | 70.1 | Confident | 72.7 | Confident | 61 Ų | 61 | 69.9 Ų | 69.9 | 63% | 0.629 | 40% | 0.395 | S | S | * | . | S | Bend | trans | 78.8 | 3.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | E26 | G16-E26 VanDerWaalsContact CA-OE2 3.26Å; G16-E26 WeakPolarHBondContact CA-OE2 3.46Å; G16-E26 PolarHBondContact N-OE2 3.09Å |
| 17 | H | 80.9 | Confident | 73 | Confident | 124 Ų | 124 | 64.5 Ų | 64.5 | 57% | 0.574 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -117.5 | 123.2 | 177.5 | -68 | 75.7 | 0 | 0 | 0 | 110.4 | D15 N19 | D15-H17 VanDerWaalsContact C-N 3.26Å; D15-H17 PolarHBondContact O-N 3.38Å; D15-H17 PolarHBondContact O-ND1 2.86Å; D15-H17 WeakPolarHBondContact OD1-CA 3.37Å; D15-H17 WeakPolarHBondContact OD1-CB 3.44Å; D15-H17 PolarHBondContact OD1-N 3.05Å; D15-H17 VanDerWaalsContact OD1-O 3.04Å; H17-N19 PolarHBondContact O-N 2.92Å; H17-N19 PolarHBondContact O-ND2 3.22Å |
| 18 | P | 81.2 | Confident | 73.2 | Confident | 85 Ų | 85 | 64.1 Ų | 64.1 | 55% | 0.552 | 38% | 0.376 | S | S | * | . | trans | -74.8 | 93.8 | 179.7 | 28.6 | -32.3 | 0 | 0 | 0 | 111 | Q23 | P18-Q23 HydrophobicContact CB-CG 3.98Š| ||
| 19 | N | 81.3 | Confident | 73.2 | Confident | 49 Ų | 49 | 64.2 Ų | 64.2 | 26% | 0.262 | 38% | 0.38 | S | S | . | . | trans | -87.6 | -21.8 | 178.6 | -60.5 | -60.1 | 0 | 0 | 0 | 112.5 | L8 S12 D15 H17 D25 | L8-N19 HydrophobicContact CD1-CB 3.86Å; L8-N19 HydrophobicContact CD2-CB 3.88Å; S12-N19 WeakPolarHBondContact CB-ND2 3.3Å; S12-N19 PolarHBondContact O-ND2 2.76Å; D15-N19 PolarHBondContact OD1-ND2 3.24Å; D15-N19 PolarHBondContact OD2-ND2 3.31Å; D15-N19 VanDerWaalsContact OD2-ND2 3.14Å; H17-N19 PolarHBondContact O-N 2.92Å; H17-N19 PolarHBondContact O-ND2 3.22Å; N19-D25 VanDerWaalsContact CA-OD2 3.32Å; N19-D25 WeakPolarHBondContact CA-OD2 3.49Å; N19-D25 VanDerWaalsContact CB-OD2 3.27Å; N19-D25 WeakPolarHBondContact CB-OD2 3.31Å; N19-D25 PolarHBondContact N-OD2 2.98Å | ||
| 20 | C | 80.9 | Confident | 73.3 | Confident | 5 Ų | 5 | 63.1 Ų | 63.1 | 3% | 0.034 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -91.3 | 141.3 | 166 | -65.6 | 0 | 0 | 0 | 0 | 112.1 | C2 L8 D22 Q23 D25 | C2-C20 VanDerWaalsContact CA-SG 3.54Å; C2-C20 HydrophobicContact CB-CB 3.76Å; C2-C20 WeakPolarHBondContact CB-SG 3.38Å; C2-C20 VanDerWaalsContact SG-CA 3.53Å; C2-C20 WeakPolarHBondContact SG-CB 3.47Å; C2-C20 CovalentContact SG-SG 2.02Å; C2-C20 PolarHBondContact SG-SG 2.92Å; L8-C20 WeakPolarHBondContact CD1-SG 3.42Å; C20-D22 WeakPolarHBondContact CB-OD1 3.45Å; C20-D22 PolarHBondContact O-N 3.38Å; C20-Q23 PolarHBondContact O-N 2.93Å; C20-D25 HydrophobicContact CB-CB 4.29Å; C20-D25 VanDerWaalsContact CB-OD1 3.24Å; C20-D25 WeakPolarHBondContact CB-OD1 3.37Å; C20-D25 PolarHBondContact N-OD1 2.98Å; C20-D25 PolarHBondContact N-OD2 2.97Å |
| 21 | N | 81.8 | Confident | 73.2 | Confident | 170 Ų | 170 | 65.9 Ų | 65.9 | 91% | 0.909 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -26.3 | 174.7 | -72.1 | -13.5 | 0 | 0 | 0 | 113.1 | ||
| 22 | D | 83.3 | Confident | 73.1 | Confident | 63 Ų | 63 | 67.3 Ų | 67.3 | 34% | 0.337 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | 0.9 | 177.1 | 58.4 | 19.5 | 0 | 0 | 0 | 112.8 | D3 C20 T24 | D3-D22 VanDerWaalsContact CB-OD2 3.29Å; D3-D22 WeakPolarHBondContact CB-OD2 3.35Å; D3-D22 PolarHBondContact N-OD2 3.14Å; C20-D22 WeakPolarHBondContact CB-OD1 3.45Å; C20-D22 PolarHBondContact O-N 3.38Å; D22-T24 HydrophobicContact CB-CG2 3.99Å; D22-T24 VanDerWaalsContact CG-OG1 3.27Å; D22-T24 PolarHBondContact O-N 2.91Å; D22-T24 VanDerWaalsContact O-N 3.09Å; D22-T24 VanDerWaalsContact OD1-CB 3.25Å; D22-T24 WeakPolarHBondContact OD1-CB 3.24Å; D22-T24 VanDerWaalsContact OD1-CG2 3.25Å; D22-T24 WeakPolarHBondContact OD1-CG2 3.48Å; D22-T24 PolarHBondContact OD1-N 2.94Å; D22-T24 PolarHBondContact OD1-OG1 3.42Å; D22-T24 PolarHBondContact OD2-OG1 2.86Å |
| 23 | Q | 81.9 | Confident | 72.3 | Confident | 128 Ų | 128 | 71.3 Ų | 71.3 | 60% | 0.598 | 40% | 0.399 | S | S | * | . | trans | 56 | 19.6 | -176.6 | -53.1 | 177.7 | 0.9 | 0 | 0 | 114 | P18 C20 D25 E26 A27 | P18-Q23 HydrophobicContact CB-CG 3.98Å; C20-Q23 PolarHBondContact O-N 2.93Å; Q23-D25 WeakPolarHBondContact CA-OD1 3.26Å; Q23-D25 PolarHBondContact O-N 2.85Å; Q23-E26 PolarHBondContact O-N 2.84Å; Q23-A27 PolarHBondContact O-N 2.96Å | ||
| 24 | T | 81.3 | Confident | 71.3 | Confident | 34 Ų | 34 | 77.9 Ų | 77.9 | 21% | 0.209 | 43% | 0.425 | C | S | . | . | G | 310 helix | trans | -68 | -24.6 | -178.7 | 54.3 | 0 | 0 | 0 | 0 | 112.3 | D22 E26 A27 K32 | D22-T24 HydrophobicContact CB-CG2 3.99Å; D22-T24 VanDerWaalsContact CG-OG1 3.27Å; D22-T24 PolarHBondContact O-N 2.91Å; D22-T24 VanDerWaalsContact O-N 3.09Å; D22-T24 VanDerWaalsContact OD1-CB 3.25Å; D22-T24 WeakPolarHBondContact OD1-CB 3.24Å; D22-T24 VanDerWaalsContact OD1-CG2 3.25Å; D22-T24 WeakPolarHBondContact OD1-CG2 3.48Å; D22-T24 PolarHBondContact OD1-N 2.94Å; D22-T24 PolarHBondContact OD1-OG1 3.42Å; D22-T24 PolarHBondContact OD2-OG1 2.86Å; T24-E26 VanDerWaalsContact C-N 3.29Å; T24-E26 PolarHBondContact O-N 2.85Å; T24-A27 PolarHBondContact O-N 3.23Å; T24-K32 PolarHBondContact O-NZ 3.22Å |
| 25 | D | 75.5 | Confident | 71 | Confident | 4 Ų | 4 | 82.5 Ų | 82.5 | 2% | 0.021 | 45% | 0.445 | C | S | . | . | G | 310 helix | trans | -59.3 | -37.7 | 171.9 | 55.9 | -40.5 | 0 | 0 | 0 | 112.7 | L8 V13 C14 N19 C20 Q23 | L8-D25 HydrophobicContact CD1-CB 3.65Å; V13-D25 WeakPolarHBondContact CG1-O 3.44Å; C14-D25 PolarHBondContact N-O 3.02Å; C14-D25 VanDerWaalsContact N-O 3.15Å; C14-D25 PolarHBondContact SG-O 3.11Å; N19-D25 VanDerWaalsContact CA-OD2 3.32Å; N19-D25 WeakPolarHBondContact CA-OD2 3.49Å; N19-D25 VanDerWaalsContact CB-OD2 3.27Å; N19-D25 WeakPolarHBondContact CB-OD2 3.31Å; N19-D25 PolarHBondContact N-OD2 2.98Å; C20-D25 HydrophobicContact CB-CB 4.29Å; C20-D25 VanDerWaalsContact CB-OD1 3.24Å; C20-D25 WeakPolarHBondContact CB-OD1 3.37Å; C20-D25 PolarHBondContact N-OD1 2.98Å; C20-D25 PolarHBondContact N-OD2 2.97Å; Q23-D25 WeakPolarHBondContact CA-OD1 3.26Å; Q23-D25 PolarHBondContact O-N 2.85Å |
| 26 | E | 79.3 | Confident | 71.6 | Confident | 49 Ų | 49 | 81.7 Ų | 81.7 | 23% | 0.229 | 44% | 0.443 | C | S | . | . | G | 310 helix | trans | -92.9 | 1 | 178 | -61.3 | -56.4 | 115.6 | 0 | 0 | 113.4 | C14 D15 G16 Q23 T24 C29 | C14-E26 WeakPolarHBondContact CA-OE1 3Å; C14-E26 WeakPolarHBondContact CA-OE2 3.48Å; C14-E26 PolarHBondContact N-OE1 3.11Å; D15-E26 PolarHBondContact N-OE1 3.23Å; G16-E26 VanDerWaalsContact CA-OE2 3.26Å; G16-E26 WeakPolarHBondContact CA-OE2 3.46Å; G16-E26 PolarHBondContact N-OE2 3.09Å; Q23-E26 PolarHBondContact O-N 2.84Å; T24-E26 VanDerWaalsContact C-N 3.29Å; T24-E26 PolarHBondContact O-N 2.85Å; E26-C29 PolarHBondContact O-SG 3.3Å |
| 27 | A | 76.4 | Confident | 72.4 | Confident | 47 Ų | 47 | 79.8 Ų | 79.8 | 39% | 0.388 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 136.7 | 179 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q23 T24 C29 K32 | Q23-A27 PolarHBondContact O-N 2.96Å; T24-A27 PolarHBondContact O-N 3.23Å; A27-C29 PolarHBondContact O-N 2.61Å; A27-K32 WeakPolarHBondContact O-CD 3.39Å; A27-K32 VanDerWaalsContact O-CE 3.27Å; A27-K32 WeakPolarHBondContact O-CE 2.99Å; A27-K32 PolarHBondContact O-NZ 3.47Å |
| 28 | N | 69 | Low | 72.7 | Confident | 89 Ų | 89 | 75.7 Ų | 75.7 | 48% | 0.476 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61 | 37.3 | 175.5 | -161.1 | 17 | 0 | 0 | 0 | 114.3 | S30 Q31 K32 | N28-S30 PolarHBondContact O-N 2.63Å; N28-S30 VanDerWaalsContact O-N 3.17Å; N28-Q31 PolarHBondContact ND2-OE1 2.91Å; N28-Q31 PolarHBondContact O-N 3.11Å; N28-Q31 WeakPolarHBondContact OD1-CB 3.42Å; N28-Q31 WeakPolarHBondContact OD1-CG 3.24Å; N28-K32 PolarHBondContact O-N 3.2Å |
| 29 | C | 66.4 | Low | 73.1 | Confident | 39 Ų | 39 | 79.7 Ų | 79.7 | 26% | 0.264 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -55.8 | -32.3 | 178 | -58.1 | 0 | 0 | 0 | 0 | 113.5 | C14 E26 A27 Q31 K32 H33 | C14-C29 HydrophobicContact CB-CB 3.71Å; C14-C29 WeakPolarHBondContact CB-SG 3.26Å; C14-C29 WeakPolarHBondContact SG-CA 3.19Å; C14-C29 WeakPolarHBondContact SG-CB 3.32Å; C14-C29 CovalentContact SG-SG 2.02Å; C14-C29 PolarHBondContact SG-SG 2.82Å; E26-C29 PolarHBondContact O-SG 3.3Å; A27-C29 PolarHBondContact O-N 2.61Å; C29-Q31 PolarHBondContact O-N 3.21Å; C29-Q31 VanDerWaalsContact O-N 3.08Å; C29-K32 PolarHBondContact O-N 3.11Å; C29-H33 WeakPolarHBondContact O-CB 3.02Å; C29-H33 PolarHBondContact O-N 3.33Å |
| 30 | S | 60.7 | Low | 73.7 | Confident | 103 Ų | 103 | 80.7 Ų | 80.7 | 72% | 0.72 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -60.4 | -20.7 | 175.9 | -35.3 | 0 | 0 | 0 | 0 | 114.1 | N28 | N28-S30 PolarHBondContact O-N 2.63Å; N28-S30 VanDerWaalsContact O-N 3.17Å |
| 31 | Q | 56.3 | Low | 74.3 | Confident | 131 Ų | 131 | 85 Ų | 85 | 61% | 0.612 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -110.9 | -26.3 | 174.5 | -64.8 | -167.6 | -15.1 | 0 | 0 | 113.2 | N28 C29 | N28-Q31 PolarHBondContact ND2-OE1 2.91Å; N28-Q31 PolarHBondContact O-N 3.11Å; N28-Q31 WeakPolarHBondContact OD1-CB 3.42Å; N28-Q31 WeakPolarHBondContact OD1-CG 3.24Å; C29-Q31 PolarHBondContact O-N 3.21Å; C29-Q31 VanDerWaalsContact O-N 3.08Å |
| 32 | K | 55.8 | Low | 74.8 | Confident | 95 Ų | 95 | 78.1 Ų | 78.1 | 41% | 0.413 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -79.3 | -32.5 | 177.1 | -70.4 | -174.6 | 178.4 | -177.3 | 0 | 113.9 | V13 T24 A27 N28 C29 | V13-K32 HydrophobicContact CG1-CD 4.17Å; T24-K32 PolarHBondContact O-NZ 3.22Å; A27-K32 WeakPolarHBondContact O-CD 3.39Å; A27-K32 VanDerWaalsContact O-CE 3.27Å; A27-K32 WeakPolarHBondContact O-CE 2.99Å; A27-K32 PolarHBondContact O-NZ 3.47Å; N28-K32 PolarHBondContact O-N 3.2Å; C29-K32 PolarHBondContact O-N 3.11Å |
| 33 | H | 51.8 | Low | 75.2 | Confident | 111 Ų | 111 | 79 Ų | 79 | 51% | 0.514 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 24.4 | 178.5 | -88.9 | -128.4 | 0 | 0 | 0 | 113.3 | V13 C14 C29 E35 | V13-H33 PolarHBondContact O-NE2 3.19Å; C14-H33 WeakPolarHBondContact CB-CD2 3.39Å; C14-H33 WeakPolarHBondContact CB-NE2 3.41Å; C14-H33 PolarHBondContact O-CE1 3.01Å; C14-H33 VanDerWaalsContact O-CE1 3.28Å; C14-H33 PolarHBondContact O-NE2 3.19Å; C29-H33 WeakPolarHBondContact O-CB 3.02Å; C29-H33 PolarHBondContact O-N 3.33Å; H33-E35 VanDerWaalsContact C-N 3.27Å; H33-E35 PolarHBondContact O-N 3.11Å |
| 34 | K | 48.5 | Very low | 75.9 | Confident | 170 Ų | 170 | 79.5 Ų | 79.5 | 74% | 0.739 | 44% | 0.439 | S | S | * | . | trans | -81.7 | -1.6 | -178.1 | -116 | -177.5 | -177.6 | -176.5 | 0 | 114.4 | ||||
| 35 | E | 61.4 | Low | 76.6 | Confident | 114 Ų | 114 | 78.9 Ų | 78.9 | 53% | 0.533 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -99.8 | -23 | -158.8 | -66.9 | -171.4 | 157.7 | 0 | 0 | 115.7 | H33 Q60 | H33-E35 VanDerWaalsContact C-N 3.27Å; H33-E35 PolarHBondContact O-N 3.11Å; E35-Q60 PolarHBondContact OE2-NE2 2.87Å |
| 36 | C | 80.1 | Confident | 77.5 | Confident | 44 Ų | 44 | 84 Ų | 84 | 30% | 0.297 | 46% | 0.459 | S | S | . | . | S | Bend | trans | 176.3 | 173.1 | 172.2 | 45.7 | 0 | 0 | 0 | 0 | 112.5 | P50 C62 W64 | C36-P50 HydrophobicContact CB-CG 3.89Å; C36-C62 HydrophobicContact CB-CB 3.55Å; C36-C62 WeakPolarHBondContact CB-SG 3.08Å; C36-C62 VanDerWaalsContact SG-CA 3.55Å; C36-C62 WeakPolarHBondContact SG-CB 3.02Å; C36-C62 CovalentContact SG-SG 1.99Å; C36-C62 PolarHBondContact SG-SG 2.89Å; C36-W64 HydrophobicContact CB-CZ2 4.11Å |
| 37 | G | 86 | Confident | 78.2 | Confident | 21 Ų | 21 | 81.8 Ų | 81.8 | 22% | 0.216 | 45% | 0.449 | C | S | . | . | trans | 95.5 | -157.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | V63 W64 | G37-V63 CarbonylContact C-O 3.56Å; G37-V63 WeakPolarHBondContact CA-O 2.93Å; G37-W64 VanDerWaalsContact CA-NE1 3.31Å | ||
| 38 | G | 87.3 | Confident | 79 | Confident | 39 Ų | 39 | 80.5 Ų | 80.5 | 40% | 0.402 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 108.3 | 177.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | V63 W64 H65 | G38-V63 PolarHBondContact N-O 2.98Å; G38-W64 WeakPolarHBondContact O-CA 3.07Å; G38-H65 PolarHBondContact O-N 3.06Å; G38-H65 VanDerWaalsContact O-N 3.08Å |
| 39 | Q | 90.8 | Very high | 80.2 | Confident | 168 Ų | 168 | 76.5 Ų | 76.5 | 79% | 0.785 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 136.4 | 175.5 | -65.8 | -164.4 | -12.1 | 0 | 0 | 111.4 | H65 | Q39-H65 CarbonylContact C-O 3.59Å; Q39-H65 WeakPolarHBondContact CA-O 2.96Å; Q39-H65 HydrophobicContact CG-CB 4.34Å |
| 40 | K | 93.1 | Very high | 81.3 | Confident | 70 Ų | 70 | 75.3 Ų | 75.3 | 30% | 0.304 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 121.2 | 177.5 | -62.6 | -61.9 | -178.5 | -173.9 | 0 | 108.5 | H65 I66 S67 Y146 | K40-H65 PolarHBondContact N-O 3.49Å; K40-I66 HydrophobicContact CB-CG1 4.25Å; K40-I66 HydrophobicContact CB-CG2 4.47Å; K40-I66 CarbonylContact O-C 3.56Å; K40-I66 WeakPolarHBondContact O-CA 3.43Å; K40-S67 PolarHBondContact O-N 3.01Å; K40-Y146 HydrophobicContact CB-CE1 3.96Å; K40-Y146 HydrophobicContact CG-CE1 4.36Å |
| 41 | S | 93.5 | Very high | 82.5 | Confident | 97 Ų | 97 | 75.3 Ų | 75.3 | 68% | 0.678 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 148.4 | 177 | 58.3 | 0 | 0 | 0 | 0 | 111.2 | S67 | S41-S67 WeakPolarHBondContact CA-O 3.06Å |
| 42 | G | 92.1 | Very high | 83.9 | Confident | 24 Ų | 24 | 71 Ų | 71 | 25% | 0.247 | 38% | 0.381 | C | S | . | . | S | Bend | trans | 114.2 | 175.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | H44 S67 Y146 | G42-H44 VanDerWaalsContact C-N 3.28Å; G42-H44 PolarHBondContact O-N 2.81Å; G42-S67 PolarHBondContact N-O 2.93Å; G42-Y146 WeakPolarHBondContact O-CE2 3.29Å |
| 43 | P | 93.1 | Very high | 85.7 | Confident | 81 Ų | 81 | 71.1 Ų | 71.1 | 53% | 0.526 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -76.2 | -10.9 | -164.5 | 29.5 | -36.4 | 0 | 0 | 0 | 114.7 | R147 A148 | P43-R147 CarbonylContact O-C 3.4Å; P43-R147 WeakPolarHBondContact O-CA 3.47Å; P43-A148 HydrophobicContact CB-CB 4.15Å; P43-A148 PolarHBondContact O-N 2.84Å |
| 44 | H | 96 | Very high | 87.4 | Confident | 140 Ų | 140 | 75 Ų | 75 | 65% | 0.648 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 156.4 | 173.9 | 57.4 | -87.1 | 0 | 0 | 0 | 109.6 | G42 Y146 | G42-H44 VanDerWaalsContact C-N 3.28Å; G42-H44 PolarHBondContact O-N 2.81Å; H44-Y146 CarbonylContact C-O 3.55Å; H44-Y146 VanDerWaalsContact CA-O 3.25Å; H44-Y146 WeakPolarHBondContact CA-O 3.21Å |
| 45 | G | 95.3 | Very high | 89.1 | Confident | 20 Ų | 20 | 70.5 Ų | 70.5 | 21% | 0.206 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.6 | -174.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | T145 Y146 | G45-T145 CarbonylContact O-C 3.56Å; G45-T145 VanDerWaalsContact O-CA 3.31Å; G45-T145 WeakPolarHBondContact O-CA 3.25Å; G45-Y146 VanDerWaalsContact CA-CZ 3.48Å; G45-Y146 PolarHBondContact N-O 3.1Å; G45-Y146 PolarHBondContact O-N 3Å |
| 46 | Y | 94.1 | Very high | 90.3 | Very high | 112 Ų | 112 | 65.2 Ų | 65.2 | 44% | 0.439 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 140.6 | -169.4 | 173.8 | -83.8 | 0 | 0 | 0 | 109.9 | A48 N143 T145 | Y46-A48 HydrophobicContact CE1-CB 3.53Å; Y46-A48 WeakPolarHBondContact OH-CB 3.39Å; Y46-N143 WeakPolarHBondContact CD2-OD1 3.25Å; Y46-N143 HydrophobicContact CE2-CB 4.38Å; Y46-N143 VanDerWaalsContact CE2-ND2 3.29Å; Y46-N143 WeakPolarHBondContact CE2-ND2 3.38Å; Y46-N143 WeakPolarHBondContact CE2-OD1 3.07Å; Y46-N143 VanDerWaalsContact CZ-CG 3.49Å; Y46-N143 PolarHBondContact OH-ND2 3.12Å; Y46-N143 VanDerWaalsContact OH-ND2 3.11Å; Y46-T145 HydrophobicContact CD2-CG2 4.14Å |
| 47 | L | 94.4 | Very high | 90.5 | Very high | 3 Ų | 3 | 64.9 Ų | 64.9 | 2% | 0.016 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 144.7 | 174.3 | 54.4 | 91.5 | 0 | 0 | 0 | 109.8 | W64 I66 L76 V129 F142 A144 Y146 | L47-W64 HydrophobicContact CB-CD2 4.27Å; L47-W64 HydrophobicContact CB-CG 4.32Å; L47-I66 HydrophobicContact CD2-CD1 3.74Å; L47-L76 HydrophobicContact CD1-CD1 4.41Å; L47-L76 HydrophobicContact CD2-CD1 3.97Å; L47-L76 HydrophobicContact CG-CD1 4.41Å; L47-V129 HydrophobicContact CD1-CG1 4.48Å; L47-V129 HydrophobicContact CD2-CG2 4.26Å; L47-F142 HydrophobicContact CD1-CD2 4.29Å; L47-F142 HydrophobicContact CD1-CE2 3.54Å; L47-A144 HydrophobicContact CD1-CB 3.69Å; L47-A144 HydrophobicContact CG-CB 4.29Å; L47-A144 PolarHBondContact N-O 3.06Å; L47-A144 PolarHBondContact O-N 2.91Å; L47-A144 VanDerWaalsContact O-O 3.07Å; L47-Y146 HydrophobicContact CD2-CD1 4.45Å |
| 48 | A | 94.5 | Very high | 90.2 | Very high | 20 Ų | 20 | 68 Ų | 68 | 17% | 0.165 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 154.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110 | Y46 H52 W64 F142 N143 | Y46-A48 HydrophobicContact CE1-CB 3.53Å; Y46-A48 WeakPolarHBondContact OH-CB 3.39Å; A48-H52 HydrophobicContact CB-CB 4.18Å; A48-W64 WeakPolarHBondContact O-CZ2 3.09Å; A48-F142 CarbonylContact C-O 3.56Å; A48-F142 WeakPolarHBondContact CA-O 3.37Å; A48-F142 VanDerWaalsContact CB-O 3.32Å; A48-F142 WeakPolarHBondContact CB-O 3.31Å; A48-N143 HydrophobicContact CB-CB 4.32Å |
| 49 | S | 93.4 | Very high | 89.8 | Confident | 5 Ų | 5 | 71.1 Ų | 71.1 | 4% | 0.035 | 38% | 0.375 | C | S | . | . | trans | -60.1 | 153.6 | 168.9 | 60.4 | 0 | 0 | 0 | 0 | 110.3 | H52 G141 F142 | S49-H52 WeakPolarHBondContact O-CB 3.37Å; S49-H52 PolarHBondContact O-N 2.03Å; S49-G141 VanDerWaalsContact OG-CA 3.29Å; S49-G141 WeakPolarHBondContact OG-CA 3.48Å; S49-F142 PolarHBondContact N-O 2.96Å; S49-F142 PolarHBondContact OG-N 2.97Å; S49-F142 PolarHBondContact OG-O 3.21Å | ||
| 50 | P | 88.7 | Confident | 89.1 | Confident | 14 Ų | 14 | 64 Ų | 64 | 9% | 0.091 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 147.1 | 174.7 | -10.7 | 19 | 0 | 0 | 0 | 110.7 | C36 H52 P57 Q60 | C36-P50 HydrophobicContact CB-CG 3.89Å; P50-H52 PolarHBondContact O-N 3.32Å; P50-P57 HydrophobicContact CB-CG 4.11Å; P50-Q60 HydrophobicContact CG-CG 4.44Å |
| 51 | N | 85.8 | Confident | 88.8 | Confident | 103 Ų | 103 | 62.5 Ų | 62.5 | 55% | 0.551 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.3 | -2.5 | 179.8 | -59.7 | -30.2 | 0 | 0 | 0 | 117.6 | R54 P55 | N51-R54 CarbonylContact C-O 3.6Å; N51-R54 HydrophobicContact CB-CB 4.25Å; N51-R54 WeakPolarHBondContact O-CA 3.34Å; N51-R54 VanDerWaalsContact O-CB 3.27Å; N51-R54 WeakPolarHBondContact O-CB 3.38Å; N51-R54 PolarHBondContact O-N 3.35Å; N51-P55 WeakPolarHBondContact CB-O 3.23Å |
| 52 | H | 87.3 | Confident | 88.7 | Confident | 41 Ų | 41 | 57.9 Ų | 57.9 | 19% | 0.19 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.7 | 130.7 | -179.5 | -174.5 | 77 | 0 | 0 | 0 | 112.2 | A48 S49 P50 N80 S140 | A48-H52 HydrophobicContact CB-CB 4.18Å; S49-H52 WeakPolarHBondContact O-CB 3.37Å; S49-H52 PolarHBondContact O-N 2.03Å; P50-H52 PolarHBondContact O-N 3.32Å; H52-N80 PolarHBondContact CE1-OD1 3.04Å; H52-N80 VanDerWaalsContact CE1-OD1 3.29Å; H52-S140 PolarHBondContact ND1-O 3.03Å |
| 53 | P | 92.3 | Very high | 88.6 | Confident | 97 Ų | 97 | 58.3 Ų | 58.3 | 63% | 0.63 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -90.8 | 10.9 | 11.4 | 37.6 | -38 | 0 | 0 | 0 | 115.4 | S140 | P53-S140 VanDerWaalsContact O-CB 3.22Å; P53-S140 WeakPolarHBondContact O-CB 3.43Å |
| 54 | R | 87.4 | Confident | 88.6 | Confident | 191 Ų | 191 | 54.9 Ų | 54.9 | 72% | 0.721 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -79.4 | 164.3 | 171.5 | -61.5 | -175.8 | 177 | -167.8 | -1 | 110.3 | N51 Y56 | N51-R54 CarbonylContact C-O 3.6Å; N51-R54 HydrophobicContact CB-CB 4.25Å; N51-R54 WeakPolarHBondContact O-CA 3.34Å; N51-R54 VanDerWaalsContact O-CB 3.27Å; N51-R54 WeakPolarHBondContact O-CB 3.38Å; N51-R54 PolarHBondContact O-N 3.35Å; R54-Y56 PolarHBondContact O-N 2.05Å |
| 55 | P | 85.1 | Confident | 88.5 | Confident | 77 Ų | 77 | 51.2 Ų | 51.2 | 50% | 0.5 | 27% | 0.265 | S | S | . | . | P | Polyproline II helix | trans | -54 | 135.6 | 178.5 | -28.5 | 35.9 | 0 | 0 | 0 | 113.6 | N51 A138 D139 | N51-P55 WeakPolarHBondContact CB-O 3.23Å; P55-A138 HydrophobicContact CB-CB 4.34Å; P55-D139 WeakPolarHBondContact CA-O 3.03Å |
| 56 | Y | 87.3 | Confident | 88.5 | Confident | 3 Ų | 3 | 50.4 Ų | 50.4 | 1% | 0.012 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -67.5 | 150.6 | 174.8 | 50 | -93.7 | 0 | 0 | 0 | 110.5 | R54 L83 E84 D92 F131 A133 A138 D139 G141 | R54-Y56 PolarHBondContact O-N 2.05Å; Y56-L83 HydrophobicContact CD1-CD2 4.1Å; Y56-L83 HydrophobicContact CE1-CD2 3.42Å; Y56-L83 VanDerWaalsContact CE1-CD2 3.42Å; Y56-E84 PolarHBondContact OH-N 3.47Å; Y56-D92 WeakPolarHBondContact CE2-OD2 3.43Å; Y56-D92 PolarHBondContact OH-OD2 3.35Å; Y56-F131 HydrophobicContact CD1-CZ 4.03Å; Y56-F131 HydrophobicContact CD2-CE1 4.34Å; Y56-F131 AromaticContact CD2-CZ 3.73Å; Y56-F131 HydrophobicContact CD2-CZ 3.73Å; Y56-F131 HydrophobicContact CE1-CZ 4.33Å; Y56-F131 HydrophobicContact CE2-CZ 4.04Å; Y56-F131 HydrophobicContact CG-CE1 4.22Å; Y56-F131 AromaticContact CG-CZ 3.73Å; Y56-F131 HydrophobicContact CG-CZ 3.73Å; Y56-A133 HydrophobicContact CD2-CB 3.73Å; Y56-A133 HydrophobicContact CE2-CB 3.68Å; Y56-A138 HydrophobicContact CD2-CB 3.8Å; Y56-A138 HydrophobicContact CE2-CB 3.6Å; Y56-A138 HydrophobicContact CG-CB 4.36Å; Y56-A138 WeakPolarHBondContact O-CB 3.36Å; Y56-D139 WeakPolarHBondContact CD1-O 3.06Å; Y56-D139 HydrophobicContact CE1-CB 4.27Å; Y56-D139 WeakPolarHBondContact CE1-O 3.37Å; Y56-D139 PolarHBondContact N-O 3.33Å; Y56-D139 PolarHBondContact OH-N 3.17Å; Y56-G141 VanDerWaalsContact CD1-CA 3.48Å |
| 57 | P | 82.7 | Confident | 88.6 | Confident | 37 Ų | 37 | 47 Ų | 47 | 24% | 0.24 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -65.4 | 152.8 | 172.3 | -11.7 | 24.5 | 0 | 0 | 0 | 111.2 | P50 Q60 | P50-P57 HydrophobicContact CB-CG 4.11Å; P57-Q60 HydrophobicContact CB-CG 3.75Å; P57-Q60 HydrophobicContact CG-CG 4.1Å; P57-Q60 WeakPolarHBondContact O-CG 3.47Å |
| 58 | H | 80.8 | Confident | 88.6 | Confident | 85 Ų | 85 | 47.4 Ų | 47.4 | 39% | 0.394 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -70.4 | 160.6 | 170.6 | -54.5 | -57.7 | 0 | 0 | 0 | 111.3 | Q60 D134 G136 A138 | H58-Q60 VanDerWaalsContact C-N 3.27Å; H58-Q60 PolarHBondContact O-N 3.46Å; H58-D134 CarbonylContact C-O 3.56Å; H58-D134 WeakPolarHBondContact CA-O 3.04Å; H58-D134 VanDerWaalsContact CB-O 3.3Å; H58-D134 WeakPolarHBondContact CB-O 3.45Å; H58-G136 PolarHBondContact CE1-O 2.8Å; H58-G136 PolarHBondContact ND1-O 2.78Å; H58-A138 VanDerWaalsContact CE1-CB 3.46Å; H58-A138 WeakPolarHBondContact CE1-CB 3.47Å |
| 59 | Q | 78.6 | Confident | 88.5 | Confident | 106 Ų | 106 | 52 Ų | 52 | 50% | 0.495 | 27% | 0.273 | S | S | . | . | S | Bend | trans | 58.3 | 37.1 | 175.8 | -63 | 161.5 | 52.2 | 0 | 0 | 113.3 | A133 D134 E135 | Q59-A133 CarbonylContact C-O 3.54Å; Q59-A133 WeakPolarHBondContact CA-O 3.48Å; Q59-A133 PolarHBondContact N-O 3.46Å; Q59-D134 PolarHBondContact N-O 3.28Å; Q59-E135 HydrophobicContact CG-CB 4.44Å; Q59-E135 HydrophobicContact CG-CG 3.64Å; Q59-E135 VanDerWaalsContact NE2-CD 3.3Å; Q59-E135 VanDerWaalsContact NE2-CG 3.34Å; Q59-E135 PolarHBondContact NE2-OE1 3.22Å; Q59-E135 PolarHBondContact OE1-OE1 2.72Å |
| 60 | Q | 76.6 | Confident | 88.1 | Confident | 17 Ų | 17 | 60 Ų | 60 | 8% | 0.079 | 31% | 0.31 | C | S | . | . | trans | -94.7 | 142.8 | -178.3 | -66.7 | -67 | -44.6 | 0 | 0 | 110.7 | E35 P50 P57 H58 F131 V132 A133 | E35-Q60 PolarHBondContact OE2-NE2 2.87Å; P50-Q60 HydrophobicContact CG-CG 4.44Å; P57-Q60 HydrophobicContact CB-CG 3.75Å; P57-Q60 HydrophobicContact CG-CG 4.1Å; P57-Q60 WeakPolarHBondContact O-CG 3.47Å; H58-Q60 VanDerWaalsContact C-N 3.27Å; H58-Q60 PolarHBondContact O-N 3.46Å; Q60-F131 HydrophobicContact CB-CE1 4.4Å; Q60-V132 CarbonylContact O-C 3.54Å; Q60-V132 WeakPolarHBondContact O-CA 3.4Å; Q60-A133 HydrophobicContact CB-CB 4.2Å; Q60-A133 PolarHBondContact N-O 3.23Å; Q60-A133 PolarHBondContact O-N 3.31Å | ||
| 61 | S | 87.3 | Confident | 87.7 | Confident | 40 Ų | 40 | 61.5 Ų | 61.5 | 28% | 0.28 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 105 | 170.4 | -177.7 | 0 | 0 | 0 | 0 | 108.4 | F131 | S61-F131 CarbonylContact C-O 3.4Å; S61-F131 WeakPolarHBondContact CA-O 3.34Å |
| 62 | C | 89.4 | Confident | 87.7 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 127.7 | -177.3 | -47.1 | 0 | 0 | 0 | 0 | 109.5 | C36 W64 V130 F131 | C36-C62 HydrophobicContact CB-CB 3.55Å; C36-C62 WeakPolarHBondContact CB-SG 3.08Å; C36-C62 VanDerWaalsContact SG-CA 3.55Å; C36-C62 WeakPolarHBondContact SG-CB 3.02Å; C36-C62 CovalentContact SG-SG 1.99Å; C36-C62 PolarHBondContact SG-SG 2.89Å; C62-W64 HydrophobicContact CB-CE3 4.25Å; C62-W64 HydrophobicContact CB-CH2 3.25Å; C62-W64 HydrophobicContact CB-CZ2 3.86Å; C62-W64 HydrophobicContact CB-CZ3 3.47Å; C62-W64 VanDerWaalsContact CB-CZ3 3.47Å; C62-V130 CarbonylContact O-C 3.58Å; C62-V130 WeakPolarHBondContact O-CA 3.39Å; C62-F131 HydrophobicContact CB-CB 4.16Å; C62-F131 HydrophobicContact CB-CD1 4.37Å; C62-F131 PolarHBondContact N-O 3.17Å; C62-F131 PolarHBondContact O-N 3.33Å |
| 63 | V | 90.4 | Very high | 87.9 | Confident | 33 Ų | 33 | 57.4 Ų | 57.4 | 20% | 0.2 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 123.9 | 176.9 | -174 | 0 | 0 | 0 | 0 | 109.7 | G37 G38 H65 I102 T128 V129 V130 | G37-V63 CarbonylContact C-O 3.56Å; G37-V63 WeakPolarHBondContact CA-O 2.93Å; G38-V63 PolarHBondContact N-O 2.98Å; V63-H65 WeakPolarHBondContact CG1-NE2 3.39Å; V63-I102 HydrophobicContact CG1-CD1 3.93Å; V63-I102 HydrophobicContact CG1-CG1 4.39Å; V63-I102 HydrophobicContact CG2-CD1 3.94Å; V63-T128 HydrophobicContact CG1-CG2 3.81Å; V63-V129 WeakPolarHBondContact CA-O 3.23Å; V63-V130 HydrophobicContact CG1-CG2 4.42Å; V63-V130 HydrophobicContact CG2-CG1 4.43Å |
| 64 | W | 93.6 | Very high | 88 | Confident | 8 Ų | 8 | 52.8 Ų | 52.8 | 3% | 0.03 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 123.7 | 172.5 | -62.9 | -87.8 | 0 | 0 | 0 | 110.3 | C36 G37 G38 L47 A48 C62 T128 V129 F131 F142 | C36-W64 HydrophobicContact CB-CZ2 4.11Å; G37-W64 VanDerWaalsContact CA-NE1 3.31Å; G38-W64 WeakPolarHBondContact O-CA 3.07Å; L47-W64 HydrophobicContact CB-CD2 4.27Å; L47-W64 HydrophobicContact CB-CG 4.32Å; A48-W64 WeakPolarHBondContact O-CZ2 3.09Å; C62-W64 HydrophobicContact CB-CE3 4.25Å; C62-W64 HydrophobicContact CB-CH2 3.25Å; C62-W64 HydrophobicContact CB-CZ2 3.86Å; C62-W64 HydrophobicContact CB-CZ3 3.47Å; C62-W64 VanDerWaalsContact CB-CZ3 3.47Å; W64-T128 CarbonylContact O-C 3.5Å; W64-T128 WeakPolarHBondContact O-CA 3.2Å; W64-V129 HydrophobicContact CB-CB 4.37Å; W64-V129 HydrophobicContact CE3-CB 4.18Å; W64-V129 HydrophobicContact CE3-CG1 4.07Å; W64-V129 HydrophobicContact CZ3-CG1 4.49Å; W64-V129 PolarHBondContact N-O 2.77Å; W64-V129 PolarHBondContact O-N 3.09Å; W64-F131 HydrophobicContact CH2-CB 4.23Å; W64-F131 HydrophobicContact CZ3-CB 3.81Å; W64-F142 AromaticContact CH2-CZ 3.75Å; W64-F142 HydrophobicContact CH2-CZ 3.75Å; W64-F142 AromaticContact CZ3-CZ 3.81Å; W64-F142 HydrophobicContact CZ3-CZ 3.81Å |
| 65 | H | 93.6 | Very high | 88.3 | Confident | 64 Ų | 64 | 44.1 Ų | 44.1 | 30% | 0.296 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 111.1 | 172.2 | -58.6 | -83.2 | 0 | 0 | 0 | 108.6 | G38 Q39 K40 V63 S100 | G38-H65 PolarHBondContact O-N 3.06Å; G38-H65 VanDerWaalsContact O-N 3.08Å; Q39-H65 CarbonylContact C-O 3.59Å; Q39-H65 WeakPolarHBondContact CA-O 2.96Å; Q39-H65 HydrophobicContact CG-CB 4.34Å; K40-H65 PolarHBondContact N-O 3.49Å; V63-H65 WeakPolarHBondContact CG1-NE2 3.39Å; H65-S100 PolarHBondContact ND1-O 3.02Å; H65-S100 VanDerWaalsContact ND1-O 3.08Å |
| 66 | I | 95.8 | Very high | 88.7 | Confident | 3 Ų | 3 | 40.4 Ų | 40.4 | 2% | 0.015 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 128.7 | -176.5 | -49.3 | 173.7 | 0 | 0 | 0 | 108.7 | K40 L47 I74 Y126 M127 V129 Y146 | K40-I66 HydrophobicContact CB-CG1 4.25Å; K40-I66 HydrophobicContact CB-CG2 4.47Å; K40-I66 CarbonylContact O-C 3.56Å; K40-I66 WeakPolarHBondContact O-CA 3.43Å; L47-I66 HydrophobicContact CD2-CD1 3.74Å; I66-I74 HydrophobicContact CB-CD1 4.06Å; I66-I74 HydrophobicContact CG2-CD1 3.76Å; I66-I74 HydrophobicContact CG2-CG1 4.37Å; I66-I74 HydrophobicContact CG2-CG2 4.2Å; I66-Y126 WeakPolarHBondContact O-CA 3.49Å; I66-M127 WeakPolarHBondContact CA-O 3.36Å; I66-M127 HydrophobicContact CB-CB 4.43Å; I66-M127 WeakPolarHBondContact CB-O 3.32Å; I66-M127 PolarHBondContact N-O 2.03Å; I66-M127 PolarHBondContact O-N 3.24Å; I66-V129 HydrophobicContact CD1-CG2 4.11Å; I66-Y146 HydrophobicContact CD1-CD1 3.94Å; I66-Y146 HydrophobicContact CD1-CE1 4.47Å; I66-Y146 HydrophobicContact CD1-CG 4.17Å; I66-Y146 HydrophobicContact CG2-CD1 4.18Å; I66-Y146 HydrophobicContact CG2-CD2 3.69Å; I66-Y146 HydrophobicContact CG2-CE1 4.08Å; I66-Y146 HydrophobicContact CG2-CE2 3.61Å; I66-Y146 HydrophobicContact CG2-CG 4Å |
| 67 | S | 95.3 | Very high | 89 | Confident | 39 Ų | 39 | 40.4 Ų | 40.4 | 27% | 0.273 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 139.3 | 173.7 | 60.6 | 0 | 0 | 0 | 0 | 112 | K40 S41 G42 P125 | K40-S67 PolarHBondContact O-N 3.01Å; S41-S67 WeakPolarHBondContact CA-O 3.06Å; G42-S67 PolarHBondContact N-O 2.93Å; S67-P125 WeakPolarHBondContact CA-O 3.34Å |
| 68 | V | 95 | Very high | 89.5 | Confident | 13 Ų | 13 | 39.4 Ų | 39.4 | 8% | 0.079 | 21% | 0.212 | C | C | . | . | trans | -124.3 | 170 | 173.9 | -62.3 | 0 | 0 | 0 | 0 | 110.1 | H72 I74 P125 A148 | V68-H72 HydrophobicContact CB-CB 4.34Å; V68-H72 HydrophobicContact CG2-CB 3.81Å; V68-I74 HydrophobicContact CB-CG1 4.3Å; V68-I74 HydrophobicContact CG1-CD1 4.19Å; V68-I74 HydrophobicContact CG1-CG1 3.62Å; V68-I74 HydrophobicContact CG2-CD1 4.21Å; V68-I74 HydrophobicContact CG2-CG1 3.69Å; V68-P125 HydrophobicContact CG2-CB 3.84Å; V68-P125 PolarHBondContact N-O 2.98Å; V68-A148 HydrophobicContact CB-CB 4.06Å; V68-A148 HydrophobicContact CG1-CB 3.77Å | ||
| 69 | D | 91.9 | Very high | 90.1 | Very high | 117 Ų | 117 | 42.5 Ų | 42.5 | 63% | 0.626 | 22% | 0.22 | S | C | * | . | trans | -63.5 | 150.9 | 177.2 | -63.3 | -32.4 | 0 | 0 | 0 | 111.2 | H72 | D69-H72 WeakPolarHBondContact O-CB 3.26Å; D69-H72 PolarHBondContact O-N 3.46Å; D69-H72 PolarHBondContact O-ND1 2.81Å | ||
| 70 | E | 85.9 | Confident | 90.8 | Very high | 173 Ų | 173 | 40.2 Ų | 40.2 | 81% | 0.808 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | 146.1 | 175 | -65.8 | -171.9 | 169.1 | 0 | 0 | 111.7 | H72 | E70-H72 VanDerWaalsContact C-N 3.25Å; E70-H72 PolarHBondContact O-N 3.21Å; E70-H72 PolarHBondContact O-ND1 2.94Å |
| 71 | G | 79.9 | Confident | 91.7 | Very high | 45 Ų | 45 | 39.7 Ų | 39.7 | 46% | 0.464 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.1 | 8.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | V151 | G71-V151 WeakPolarHBondContact O-CB 3.06Å; G71-V151 WeakPolarHBondContact O-CG2 3.37Å; G71-V151 PolarHBondContact O-N 3.34Å |
| 72 | H | 86.7 | Confident | 92 | Very high | 56 Ų | 56 | 38.8 Ų | 38.8 | 26% | 0.259 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 152 | 168.9 | -62 | 74.2 | 0 | 0 | 0 | 111.1 | V68 D69 E70 P125 A148 V149 S150 | V68-H72 HydrophobicContact CB-CB 4.34Å; V68-H72 HydrophobicContact CG2-CB 3.81Å; D69-H72 WeakPolarHBondContact O-CB 3.26Å; D69-H72 PolarHBondContact O-N 3.46Å; D69-H72 PolarHBondContact O-ND1 2.81Å; E70-H72 VanDerWaalsContact C-N 3.25Å; E70-H72 PolarHBondContact O-N 3.21Å; E70-H72 PolarHBondContact O-ND1 2.94Å; H72-P125 WeakPolarHBondContact O-CA 3.25Å; H72-A148 HydrophobicContact CB-CB 4.09Å; H72-V149 VanDerWaalsContact CA-O 3.32Å; H72-V149 WeakPolarHBondContact CA-O 3.05Å; H72-S150 WeakPolarHBondContact CD2-CA 3.44Å; H72-S150 PolarHBondContact CD2-N 2.98Å; H72-S150 VanDerWaalsContact CD2-N 3.34Å |
| 73 | V | 90.1 | Very high | 92.3 | Very high | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.012 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 161.3 | 167.7 | -63.2 | 0 | 0 | 0 | 0 | 110.3 | T121 S122 A148 V149 V151 T165 | V73-T121 HydrophobicContact CB-CG2 4.45Å; V73-T121 HydrophobicContact CG2-CG2 3.98Å; V73-S122 WeakPolarHBondContact CB-O 3.37Å; V73-S122 WeakPolarHBondContact CG1-O 3.43Å; V73-A148 CarbonylContact O-C 3.56Å; V73-A148 WeakPolarHBondContact O-CA 3.35Å; V73-V149 HydrophobicContact CG2-CB 4.19Å; V73-V149 PolarHBondContact N-O 3.36Å; V73-V149 PolarHBondContact O-N 3.21Å; V73-V151 HydrophobicContact CG1-CG2 3.96Å; V73-T165 WeakPolarHBondContact CG1-O 3.48Å |
| 74 | I | 94.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 121.9 | -175.4 | -60 | 161.7 | 0 | 0 | 0 | 108.3 | I66 V68 T121 S122 P125 M127 Y146 | I66-I74 HydrophobicContact CB-CD1 4.06Å; I66-I74 HydrophobicContact CG2-CD1 3.76Å; I66-I74 HydrophobicContact CG2-CG1 4.37Å; I66-I74 HydrophobicContact CG2-CG2 4.2Å; V68-I74 HydrophobicContact CB-CG1 4.3Å; V68-I74 HydrophobicContact CG1-CD1 4.19Å; V68-I74 HydrophobicContact CG1-CG1 3.62Å; V68-I74 HydrophobicContact CG2-CD1 4.21Å; V68-I74 HydrophobicContact CG2-CG1 3.69Å; I74-T121 CarbonylContact O-C 3.24Å; I74-T121 VanDerWaalsContact O-CA 3.29Å; I74-T121 WeakPolarHBondContact O-CA 3.4Å; I74-S122 WeakPolarHBondContact CB-OG 3.25Å; I74-S122 PolarHBondContact N-OG 3.49Å; I74-S122 PolarHBondContact O-N 2.94Å; I74-S122 PolarHBondContact O-OG 2.03Å; I74-P125 WeakPolarHBondContact CD1-O 3.45Å; I74-M127 HydrophobicContact CB-CB 4.28Å; I74-M127 HydrophobicContact CB-CE 4.21Å; I74-M127 HydrophobicContact CD1-CB 3.71Å; I74-M127 HydrophobicContact CG2-CB 4.27Å; I74-M127 HydrophobicContact CG2-CE 4.15Å; I74-M127 HydrophobicContact CG2-SD 3.95Å; I74-M127 WeakPolarHBondContact O-CE 3.17Å; I74-Y146 HydrophobicContact CG2-CD2 4.31Å; I74-Y146 HydrophobicContact CG2-CG 4.46Å |
| 75 | T | 93.6 | Very high | 92.1 | Very high | 8 Ų | 8 | 43.2 Ų | 43.2 | 5% | 0.049 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 122.1 | 166.9 | -59.1 | 0 | 0 | 0 | 0 | 109.4 | D119 L120 T121 Y146 R147 | T75-D119 HydrophobicContact CG2-CB 4.45Å; T75-L120 CarbonylContact C-O 3.54Å; T75-L120 VanDerWaalsContact CA-O 3.29Å; T75-L120 WeakPolarHBondContact CA-O 3.42Å; T75-T121 PolarHBondContact OG1-OG1 2.02Å; T75-Y146 CarbonylContact O-C 3.51Å; T75-Y146 VanDerWaalsContact O-CA 3.26Å; T75-Y146 WeakPolarHBondContact O-CA 3.26Å; T75-R147 PolarHBondContact N-O 2.81Å; T75-R147 PolarHBondContact O-N 3.38Å |
| 76 | L | 94.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 128.5 | 176.7 | -176.4 | 70.6 | 0 | 0 | 0 | 110.1 | L47 F78 V96 D119 L120 M127 V129 A144 | L47-L76 HydrophobicContact CD1-CD1 4.41Å; L47-L76 HydrophobicContact CD2-CD1 3.97Å; L47-L76 HydrophobicContact CG-CD1 4.41Å; L76-F78 HydrophobicContact CD2-CE2 4.02Å; L76-F78 HydrophobicContact CD2-CZ 4.14Å; L76-F78 HydrophobicContact CG-CE2 4.43Å; L76-V96 HydrophobicContact CD2-CG1 4.32Å; L76-V96 HydrophobicContact CD2-CG2 4.05Å; L76-D119 WeakPolarHBondContact O-CA 3.45Å; L76-L120 PolarHBondContact N-O 3.41Å; L76-L120 PolarHBondContact O-N 2.8Å; L76-M127 HydrophobicContact CB-SD 3.87Å; L76-M127 HydrophobicContact CD2-SD 4.28Å; L76-V129 HydrophobicContact CD2-CG2 3.85Å; L76-A144 HydrophobicContact CD1-CB 3.85Å; L76-A144 HydrophobicContact CG-CB 4.37Å |
| 77 | S | 93.4 | Very high | 90 | Very high | 3 Ų | 3 | 50.4 Ų | 50.4 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 124.1 | 179.7 | -63.2 | 0 | 0 | 0 | 0 | 110.9 | D119 A144 T145 | S77-D119 WeakPolarHBondContact CA-OD1 3.46Å; S77-D119 WeakPolarHBondContact CB-OD1 3.3Å; S77-D119 PolarHBondContact OG-OD1 2.73Å; S77-D119 PolarHBondContact OG-OD2 3.47Å; S77-A144 CarbonylContact O-C 3.54Å; S77-A144 VanDerWaalsContact O-CA 3.25Å; S77-A144 WeakPolarHBondContact O-CA 3.41Å; S77-A144 WeakPolarHBondContact O-CB 3.15Å; S77-T145 PolarHBondContact N-O 3.37Å; S77-T145 PolarHBondContact O-N 2.63Å |
| 78 | F | 93.3 | Very high | 89.2 | Confident | 15 Ų | 15 | 52.8 Ų | 52.8 | 7% | 0.066 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 135.5 | 174.4 | -68.7 | -93.5 | 0 | 0 | 0 | 111.1 | L76 F81 V94 F116 P117 L120 F142 A144 | L76-F78 HydrophobicContact CD2-CE2 4.02Å; L76-F78 HydrophobicContact CD2-CZ 4.14Å; L76-F78 HydrophobicContact CG-CE2 4.43Å; F78-F81 AromaticContact CD1-CD2 3.68Å; F78-F81 HydrophobicContact CD1-CD2 3.68Å; F78-F81 HydrophobicContact CD1-CE2 4.27Å; F78-F81 AromaticContact CE1-CD2 3.91Å; F78-F81 HydrophobicContact CE1-CD2 3.91Å; F78-F81 HydrophobicContact CE1-CE2 4.04Å; F78-F81 HydrophobicContact CG-CD2 4.36Å; F78-V94 HydrophobicContact CE1-CG1 4.3Å; F78-V94 HydrophobicContact CZ-CG1 3.94Å; F78-F116 HydrophobicContact CB-CD1 4.47Å; F78-P117 HydrophobicContact CD1-CG 4.47Å; F78-P117 HydrophobicContact CD2-CB 3.66Å; F78-P117 HydrophobicContact CD2-CG 3.78Å; F78-P117 HydrophobicContact CE2-CB 3.87Å; F78-P117 HydrophobicContact CE2-CG 3.99Å; F78-P117 HydrophobicContact CG-CB 4.36Å; F78-P117 HydrophobicContact CG-CG 4.04Å; F78-P117 HydrophobicContact CZ-CG 4.42Å; F78-L120 HydrophobicContact CE2-CD1 4.5Å; F78-F142 HydrophobicContact CD1-CB 4.25Å; F78-F142 HydrophobicContact CD1-CD2 4.19Å; F78-F142 HydrophobicContact CD1-CG 4.49Å; F78-F142 HydrophobicContact CE1-CB 4.39Å; F78-F142 AromaticContact CE1-CD2 3.82Å; F78-F142 HydrophobicContact CE1-CD2 3.82Å; F78-F142 HydrophobicContact CE1-CE2 4.45Å; F78-F142 HydrophobicContact CE1-CG 4.2Å; F78-A144 HydrophobicContact CD1-CB 3.8Å; F78-A144 HydrophobicContact CE1-CB 4.07Å; F78-A144 HydrophobicContact CG-CB 4.1Å |
| 79 | R | 92.5 | Very high | 88.7 | Confident | 151 Ų | 151 | 53 Ų | 53 | 57% | 0.57 | 28% | 0.282 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.4 | -31 | 177.8 | -60.1 | -58.2 | -176.8 | -177.2 | -1.1 | 112.2 | F116 N143 T145 | R79-F116 WeakPolarHBondContact O-CE1 2.78Å; R79-N143 PolarHBondContact N-O 2.94Å; R79-T145 HydrophobicContact CG-CG2 4.41Å; R79-T145 PolarHBondContact NE-OG1 3.46Å |
| 80 | N | 94 | Very high | 88.4 | Confident | 57 Ų | 57 | 53.7 Ų | 53.7 | 31% | 0.305 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 144.3 | 169.3 | -166.5 | -101.6 | 0 | 0 | 0 | 109.2 | H52 F142 N143 | H52-N80 PolarHBondContact CE1-OD1 3.04Å; H52-N80 VanDerWaalsContact CE1-OD1 3.29Å; N80-F142 CarbonylContact O-C 3.56Å; N80-F142 WeakPolarHBondContact O-CA 3.49Å; N80-F142 WeakPolarHBondContact O-CB 3.4Å; N80-N143 HydrophobicContact CB-CB 4.4Å; N80-N143 PolarHBondContact N-O 3.42Å; N80-N143 PolarHBondContact O-N 3.32Å |
| 81 | F | 94.7 | Very high | 88.3 | Confident | 6 Ų | 6 | 49.9 Ų | 49.9 | 3% | 0.026 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 114.7 | -177.7 | -164.6 | -93.3 | 0 | 0 | 0 | 110.5 | F78 L83 V94 F111 G113 T115 F116 P117 F142 | F78-F81 AromaticContact CD1-CD2 3.68Å; F78-F81 HydrophobicContact CD1-CD2 3.68Å; F78-F81 HydrophobicContact CD1-CE2 4.27Å; F78-F81 AromaticContact CE1-CD2 3.91Å; F78-F81 HydrophobicContact CE1-CD2 3.91Å; F78-F81 HydrophobicContact CE1-CE2 4.04Å; F78-F81 HydrophobicContact CG-CD2 4.36Å; F81-L83 HydrophobicContact CE1-CD1 4.37Å; F81-L83 HydrophobicContact CE1-CG 4.37Å; F81-L83 HydrophobicContact CE2-CD1 4.03Å; F81-L83 HydrophobicContact CE2-CG 4.44Å; F81-L83 HydrophobicContact CZ-CD1 3.65Å; F81-L83 HydrophobicContact CZ-CG 4.07Å; F81-V94 HydrophobicContact CE2-CB 4.32Å; F81-V94 HydrophobicContact CE2-CG2 4.21Å; F81-F111 HydrophobicContact CE1-CB 4.28Å; F81-F111 HydrophobicContact CE2-CB 4.28Å; F81-F111 HydrophobicContact CZ-CB 3.63Å; F81-G113 WeakPolarHBondContact CD1-O 3.44Å; F81-G113 WeakPolarHBondContact CE1-O 3.02Å; F81-T115 WeakPolarHBondContact CD1-O 3.47Å; F81-F116 HydrophobicContact CB-CD1 4.38Å; F81-F116 HydrophobicContact CB-CE1 4.46Å; F81-P117 HydrophobicContact CD1-CG 4.28Å; F81-P117 HydrophobicContact CD2-CG 3.82Å; F81-P117 HydrophobicContact CE1-CG 4.28Å; F81-P117 HydrophobicContact CE2-CG 3.83Å; F81-P117 HydrophobicContact CG-CG 4.06Å; F81-P117 HydrophobicContact CZ-CG 4.08Å; F81-F142 HydrophobicContact CD2-CB 3.74Å; F81-F142 HydrophobicContact CE2-CB 4.32Å |
| 82 | S | 95 | Very high | 88.9 | Confident | 21 Ų | 21 | 47.9 Ų | 47.9 | 15% | 0.147 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 104.3 | 172.9 | -166.6 | 0 | 0 | 0 | 0 | 108.4 | G113 D139 S140 G141 | S82-G113 WeakPolarHBondContact CA-O 3.44Å; S82-D139 VanDerWaalsContact O-CB 3.24Å; S82-D139 WeakPolarHBondContact O-CB 3.37Å; S82-S140 WeakPolarHBondContact CB-OG 3.48Å; S82-G141 PolarHBondContact N-O 3.16Å; S82-G141 VanDerWaalsContact O-CA 3.24Å; S82-G141 WeakPolarHBondContact O-CA 3.3Å; S82-G141 PolarHBondContact O-N 3.1Å |
| 83 | L | 94.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | -119.2 | 169.6 | 172.7 | -58.5 | -178.3 | 0 | 0 | 0 | 109.2 | Y56 F81 T85 D92 V94 G113 F131 F142 | Y56-L83 HydrophobicContact CD1-CD2 4.1Å; Y56-L83 HydrophobicContact CE1-CD2 3.42Å; Y56-L83 VanDerWaalsContact CE1-CD2 3.42Å; F81-L83 HydrophobicContact CE1-CD1 4.37Å; F81-L83 HydrophobicContact CE1-CG 4.37Å; F81-L83 HydrophobicContact CE2-CD1 4.03Å; F81-L83 HydrophobicContact CE2-CG 4.44Å; F81-L83 HydrophobicContact CZ-CD1 3.65Å; F81-L83 HydrophobicContact CZ-CG 4.07Å; L83-T85 PolarHBondContact O-N 2.86Å; L83-D92 HydrophobicContact CB-CB 4.47Å; L83-V94 HydrophobicContact CD1-CG2 3.93Å; L83-G113 PolarHBondContact N-O 2.72Å; L83-G113 CarbonylContact O-C 3.55Å; L83-G113 WeakPolarHBondContact O-CA 3.45Å; L83-G113 PolarHBondContact O-N 3.4Å; L83-F131 HydrophobicContact CD1-CD2 4.42Å; L83-F131 HydrophobicContact CD1-CE2 4.1Å; L83-F131 HydrophobicContact CD2-CE2 3.61Å; L83-F131 HydrophobicContact CD2-CZ 4.15Å; L83-F142 HydrophobicContact CD2-CD1 4.5Å | ||
| 84 | E | 92.3 | Very high | 89.5 | Confident | 35 Ų | 35 | 47 Ų | 47 | 16% | 0.164 | 24% | 0.235 | C | C | . | . | trans | -49.6 | 132.4 | 170.9 | -169.7 | 178 | -149.4 | 0 | 0 | 110.7 | Y56 F91 D92 G113 V137 | Y56-E84 PolarHBondContact OH-N 3.47Å; E84-F91 VanDerWaalsContact OE2-CB 3.31Å; E84-F91 WeakPolarHBondContact OE2-CB 3.37Å; E84-D92 HydrophobicContact CB-CB 3.96Å; E84-G113 PolarHBondContact O-N 2.88Å; E84-V137 HydrophobicContact CG-CB 4.09Å; E84-V137 WeakPolarHBondContact OE1-CB 3.13Å | ||
| 85 | T | 86.4 | Confident | 89.4 | Confident | 100 Ų | 100 | 48.2 Ų | 48.2 | 61% | 0.613 | 24% | 0.241 | S | C | * | . | trans | -93 | 121.1 | -176.4 | -57.5 | 0 | 0 | 0 | 0 | 109.9 | L83 G113 | L83-T85 PolarHBondContact O-N 2.86Å; T85-G113 VanDerWaalsContact OG1-CA 3.29Å; T85-G113 WeakPolarHBondContact OG1-CA 3.32Å | ||
| 86 | Q | 78.2 | Confident | 89.4 | Confident | 57 Ų | 57 | 47.9 Ų | 47.9 | 27% | 0.266 | 24% | 0.239 | S | C | . | . | trans | -148.2 | 156.8 | 177 | -161.6 | -86.9 | -34.3 | 0 | 0 | 110.1 | V88 F91 | Q86-V88 VanDerWaalsContact C-N 3.28Å; Q86-V88 PolarHBondContact O-N 3.27Å; Q86-F91 HydrophobicContact CG-CD2 4.23Å; Q86-F91 HydrophobicContact CG-CE2 4.24Å | ||
| 87 | D | 68.9 | Low | 89.1 | Confident | 160 Ų | 160 | 48 Ų | 48 | 86% | 0.856 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -64.1 | -26.6 | -173 | -63.9 | -41.3 | 0 | 0 | 0 | 114.3 | ||
| 88 | V | 77.3 | Confident | 88.8 | Confident | 90 Ų | 90 | 48.9 Ų | 48.9 | 55% | 0.545 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -133.1 | 8.8 | -174.2 | -155.4 | 0 | 0 | 0 | 0 | 113 | Q86 E90 | Q86-V88 VanDerWaalsContact C-N 3.28Å; Q86-V88 PolarHBondContact O-N 3.27Å; V88-E90 VanDerWaalsContact C-N 3.33Å; V88-E90 HydrophobicContact CB-CG 4.18Å; V88-E90 PolarHBondContact O-N 2.98Å |
| 89 | C | 85.2 | Confident | 88.4 | Confident | 18 Ų | 18 | 48.9 Ų | 48.9 | 12% | 0.122 | 25% | 0.246 | C | C | . | . | trans | 53.1 | 45.5 | 179.1 | -52.2 | 0 | 0 | 0 | 0 | 113.6 | Y93 R110 C112 | C89-Y93 WeakPolarHBondContact O-CD1 3.36Å; C89-R110 HydrophobicContact CB-CG 4.23Å; C89-C112 WeakPolarHBondContact CA-SG 3.3Å; C89-C112 HydrophobicContact CB-CB 3.51Å; C89-C112 WeakPolarHBondContact CB-SG 3.03Å; C89-C112 WeakPolarHBondContact SG-CB 3.43Å; C89-C112 PolarHBondContact SG-N 2.87Å; C89-C112 CovalentContact SG-SG 2.03Å; C89-C112 PolarHBondContact SG-SG 3.47Å | ||
| 90 | E | 84.5 | Confident | 87.8 | Confident | 130 Ų | 130 | 45 Ų | 45 | 61% | 0.607 | 24% | 0.242 | S | C | * | . | trans | -77.8 | -27.3 | -178 | -67 | -170.7 | 135.4 | 0 | 0 | 113.9 | V88 | V88-E90 VanDerWaalsContact C-N 3.33Å; V88-E90 HydrophobicContact CB-CG 4.18Å; V88-E90 PolarHBondContact O-N 2.98Å | ||
| 91 | F | 84.3 | Confident | 86.5 | Confident | 94 Ų | 94 | 44.7 Ų | 44.7 | 41% | 0.412 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -92.9 | -87.5 | -178.2 | -56.2 | -57.9 | 0 | 0 | 0 | 110.7 | E84 Q86 Y93 D134 | E84-F91 VanDerWaalsContact OE2-CB 3.31Å; E84-F91 WeakPolarHBondContact OE2-CB 3.37Å; Q86-F91 HydrophobicContact CG-CD2 4.23Å; Q86-F91 HydrophobicContact CG-CE2 4.24Å; F91-Y93 WeakPolarHBondContact O-CD1 3.02Å; F91-D134 HydrophobicContact CB-CB 4.29Å; F91-D134 WeakPolarHBondContact CD1-OD2 3.42Å |
| 92 | D | 92.5 | Very high | 85.2 | Confident | 3 Ų | 3 | 48.8 Ų | 48.8 | 2% | 0.016 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -94.1 | 124.4 | -179.5 | -64.3 | -6.2 | 0 | 0 | 0 | 111.4 | Y56 L83 E84 C112 V132 A133 D134 | Y56-D92 WeakPolarHBondContact CE2-OD2 3.43Å; Y56-D92 PolarHBondContact OH-OD2 3.35Å; L83-D92 HydrophobicContact CB-CB 4.47Å; E84-D92 HydrophobicContact CB-CB 3.96Å; D92-C112 WeakPolarHBondContact O-CB 3.43Å; D92-V132 WeakPolarHBondContact CA-O 3.41Å; D92-A133 WeakPolarHBondContact OD1-CA 3.48Å; D92-D134 PolarHBondContact OD1-N 2.95Å |
| 93 | Y | 94.4 | Very high | 83.4 | Confident | 39 Ų | 39 | 51.1 Ų | 51.1 | 15% | 0.153 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 155.4 | -178.8 | 62.3 | -93.3 | 0 | 0 | 0 | 113.8 | C89 F91 E95 R110 F111 F131 V132 | C89-Y93 WeakPolarHBondContact O-CD1 3.36Å; F91-Y93 WeakPolarHBondContact O-CD1 3.02Å; Y93-E95 HydrophobicContact CD2-CB 4.02Å; Y93-E95 HydrophobicContact CE2-CB 4.14Å; Y93-R110 HydrophobicContact CD2-CG 4Å; Y93-R110 HydrophobicContact CG-CG 4.07Å; Y93-F111 WeakPolarHBondContact CA-O 3.24Å; Y93-F131 WeakPolarHBondContact O-CA 3.32Å; Y93-F131 WeakPolarHBondContact O-CD2 3.32Å; Y93-V132 HydrophobicContact CD1-CB 4.34Å; Y93-V132 HydrophobicContact CE1-CB 3.84Å; Y93-V132 HydrophobicContact CE1-CG1 4.15Å; Y93-V132 HydrophobicContact CE1-CG2 4.32Å; Y93-V132 HydrophobicContact CE2-CB 4.1Å; Y93-V132 HydrophobicContact CE2-CG2 3.9Å; Y93-V132 PolarHBondContact N-O 3.48Å; Y93-V132 PolarHBondContact O-N 3.48Å |
| 94 | V | 95.4 | Very high | 81.6 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 126.4 | 161.7 | 174.8 | 0 | 0 | 0 | 0 | 108.8 | F78 F81 L83 V96 R110 F111 V129 V130 F131 F142 | F78-V94 HydrophobicContact CE1-CG1 4.3Å; F78-V94 HydrophobicContact CZ-CG1 3.94Å; F81-V94 HydrophobicContact CE2-CB 4.32Å; F81-V94 HydrophobicContact CE2-CG2 4.21Å; L83-V94 HydrophobicContact CD1-CG2 3.93Å; V94-V96 HydrophobicContact CG1-CG2 4.26Å; V94-R110 CarbonylContact O-C 3.58Å; V94-R110 WeakPolarHBondContact O-CA 3.46Å; V94-F111 PolarHBondContact N-O 3.48Å; V94-F111 PolarHBondContact O-N 3.07Å; V94-V129 HydrophobicContact CG1-CG1 3.88Å; V94-V130 CarbonylContact C-O 3.58Å; V94-V130 VanDerWaalsContact CA-O 3.29Å; V94-V130 WeakPolarHBondContact CA-O 2.96Å; V94-F131 HydrophobicContact CG2-CB 4.16Å; V94-F131 HydrophobicContact CG2-CD2 3.7Å; V94-F131 HydrophobicContact CG2-CG 4.32Å; V94-F142 HydrophobicContact CG2-CD1 3.52Å; V94-F142 HydrophobicContact CG2-CE1 3.35Å; V94-F142 HydrophobicContact CG2-CG 4.22Å; V94-F142 HydrophobicContact CG2-CZ 3.91Å |
| 95 | E | 92.6 | Very high | 80.3 | Confident | 26 Ų | 26 | 54.6 Ų | 54.6 | 12% | 0.121 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 136.5 | 176 | -168.3 | 173.3 | 82.5 | 0 | 0 | 110.2 | Y93 H97 V107 G109 R110 V130 | Y93-E95 HydrophobicContact CD2-CB 4.02Å; Y93-E95 HydrophobicContact CE2-CB 4.14Å; E95-H97 IonicContact OE1-CD2 3.77Å; E95-H97 IonicContact OE1-CE1 3.47Å; E95-H97 PolarHBondContact OE1-CE1 3.39Å; E95-H97 IonicContact OE1-NE2 2.7Å; E95-H97 PolarHBondContact OE1-NE2 3.02Å; E95-V107 HydrophobicContact CG-CG1 3.72Å; E95-G109 WeakPolarHBondContact CA-O 3.2Å; E95-R110 HydrophobicContact CG-CB 4.35Å; E95-R110 IonicContact OE2-CZ 2.72Å; E95-R110 IonicContact OE2-NE 2.72Å; E95-R110 PolarHBondContact OE2-NE 2.92Å; E95-R110 IonicContact OE2-NH2 3.19Å; E95-R110 PolarHBondContact OE2-NH2 3.19Å; E95-V130 PolarHBondContact N-O 3.49Å; E95-V130 PolarHBondContact O-N 2.93Å |
| 96 | V | 93.4 | Very high | 80 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 127.6 | -176.4 | -173.4 | 0 | 0 | 0 | 0 | 109.8 | L76 V94 V107 L108 G109 L120 M127 V129 | L76-V96 HydrophobicContact CD2-CG1 4.32Å; L76-V96 HydrophobicContact CD2-CG2 4.05Å; V94-V96 HydrophobicContact CG1-CG2 4.26Å; V96-V107 CarbonylContact O-C 3.57Å; V96-L108 HydrophobicContact CB-CB 4.34Å; V96-L108 HydrophobicContact CG1-CB 4.37Å; V96-L108 HydrophobicContact CG1-CD1 4.05Å; V96-L108 PolarHBondContact O-N 3.26Å; V96-G109 PolarHBondContact N-O 3.44Å; V96-L120 HydrophobicContact CB-CD1 3.83Å; V96-L120 HydrophobicContact CG1-CD1 4.08Å; V96-L120 HydrophobicContact CG2-CD1 3.67Å; V96-M127 HydrophobicContact CG1-CE 4.44Å; V96-M127 HydrophobicContact CG1-CG 3.89Å; V96-M127 HydrophobicContact CG1-SD 3.79Å; V96-V129 HydrophobicContact CG1-CG2 4.3Å; V96-V129 HydrophobicContact CG2-CG1 4.39Å; V96-V129 HydrophobicContact CG2-CG2 4.42Å |
| 97 | H | 88.3 | Confident | 80.3 | Confident | 4 Ų | 4 | 58 Ų | 58 | 2% | 0.019 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 134.4 | -174.5 | -64.3 | -142.6 | 0 | 0 | 0 | 109.4 | E95 S99 G103 T128 | E95-H97 IonicContact OE1-CD2 3.77Å; E95-H97 IonicContact OE1-CE1 3.47Å; E95-H97 PolarHBondContact OE1-CE1 3.39Å; E95-H97 IonicContact OE1-NE2 2.7Å; E95-H97 PolarHBondContact OE1-NE2 3.02Å; H97-S99 PolarHBondContact O-N 3.24Å; H97-S99 VanDerWaalsContact O-N 3.09Å; H97-G103 PolarHBondContact ND1-N 3.48Å; H97-T128 PolarHBondContact N-O 3.01Å; H97-T128 PolarHBondContact O-N 3.32Å |
| 98 | D | 87.6 | Confident | 81 | Confident | 21 Ų | 21 | 51.9 Ų | 51.9 | 11% | 0.112 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -85 | 51.6 | 174.7 | -165.1 | 16.8 | 0 | 0 | 0 | 111.4 | R106 L108 S122 S123 | D98-R106 HydrophobicContact CB-CB 4.37Å; D98-R106 WeakPolarHBondContact CB-O 3.41Å; D98-R106 PolarHBondContact N-O 3.34Å; D98-L108 HydrophobicContact CB-CD1 4.3Å; D98-L108 HydrophobicContact CB-CD2 3.9Å; D98-L108 HydrophobicContact CB-CG 3.96Å; D98-S122 WeakPolarHBondContact OD1-CA 3.36Å; D98-S122 WeakPolarHBondContact OD1-CB 3.12Å; D98-S123 VanDerWaalsContact CG-N 3.34Å; D98-S123 PolarHBondContact OD1-N 3.35Å; D98-S123 PolarHBondContact OD1-OG 3.38Å; D98-S123 WeakPolarHBondContact OD2-CB 3.35Å; D98-S123 PolarHBondContact OD2-N 2.91Å; D98-S123 VanDerWaalsContact OD2-N 3.09Å; D98-S123 PolarHBondContact OD2-OG 3.36Å |
| 99 | S | 84.7 | Confident | 81.3 | Confident | 15 Ų | 15 | 48.4 Ų | 48.4 | 11% | 0.105 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -156.5 | 164.7 | -179 | 48.2 | 0 | 0 | 0 | 0 | 111.7 | H97 S101 G105 M127 T128 | H97-S99 PolarHBondContact O-N 3.24Å; H97-S99 VanDerWaalsContact O-N 3.09Å; S99-S101 VanDerWaalsContact C-N 3.28Å; S99-S101 PolarHBondContact OG-O 2.74Å; S99-G105 WeakPolarHBondContact OG-CA 3.28Å; S99-G105 PolarHBondContact OG-N 3.43Å; S99-M127 CarbonylContact O-C 3.54Å; S99-T128 PolarHBondContact O-N 3.09Å; S99-T128 PolarHBondContact O-OG1 2.71Å |
| 100 | S | 78.4 | Confident | 81.5 | Confident | 70 Ų | 70 | 52.7 Ų | 52.7 | 49% | 0.49 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -73.3 | -18.6 | 174.2 | 56 | 0 | 0 | 0 | 0 | 113.6 | H65 T128 | H65-S100 PolarHBondContact ND1-O 3.02Å; H65-S100 VanDerWaalsContact ND1-O 3.08Å; S100-T128 PolarHBondContact O-OG1 3.14Å |
| 101 | S | 66.8 | Low | 81.9 | Confident | 50 Ų | 50 | 48.3 Ų | 48.3 | 35% | 0.35 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -133.8 | 156.2 | 179.4 | 60.1 | 0 | 0 | 0 | 0 | 112.6 | S99 G103 A104 | S99-S101 VanDerWaalsContact C-N 3.28Å; S99-S101 PolarHBondContact OG-O 2.74Å; S101-G103 PolarHBondContact O-N 3.39Å; S101-A104 VanDerWaalsContact OG-CB 3.24Å; S101-A104 WeakPolarHBondContact OG-CB 3.22Å |
| 102 | I | 67.8 | Low | 82.3 | Confident | 91 Ų | 91 | 44.7 Ų | 44.7 | 47% | 0.467 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | 127.3 | 175.7 | -54.3 | 176.8 | 0 | 0 | 0 | 108.8 | V63 A104 T128 V130 | V63-I102 HydrophobicContact CG1-CD1 3.93Å; V63-I102 HydrophobicContact CG1-CG1 4.39Å; V63-I102 HydrophobicContact CG2-CD1 3.94Å; I102-A104 PolarHBondContact O-N 3.02Å; I102-T128 HydrophobicContact CG1-CG2 3.99Å; I102-V130 HydrophobicContact CD1-CG2 3.85Å; I102-V130 HydrophobicContact CG1-CG2 3.99Å |
| 103 | G | 57.1 | Low | 82.3 | Confident | 70 Ų | 70 | 44.8 Ų | 44.8 | 72% | 0.722 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.6 | 1.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | H97 S101 | H97-G103 PolarHBondContact ND1-N 3.48Å; S101-G103 PolarHBondContact O-N 3.39Å |
| 104 | A | 56.7 | Low | 82.1 | Confident | 77 Ų | 77 | 46.9 Ų | 46.9 | 64% | 0.636 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -101.4 | -1.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114 | S101 I102 | S101-A104 VanDerWaalsContact OG-CB 3.24Å; S101-A104 WeakPolarHBondContact OG-CB 3.22Å; I102-A104 PolarHBondContact O-N 3.02Å |
| 105 | G | 65.6 | Low | 81.7 | Confident | 31 Ų | 31 | 52.3 Ų | 52.3 | 32% | 0.32 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -141.7 | 177.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | S99 | S99-G105 WeakPolarHBondContact OG-CA 3.28Å; S99-G105 PolarHBondContact OG-N 3.43Å |
| 106 | R | 79.4 | Confident | 81.3 | Confident | 162 Ų | 162 | 56.7 Ų | 56.7 | 61% | 0.611 | 34% | 0.335 | S | S | * | . | trans | -66.1 | 134.3 | 178.1 | 176.4 | -176.8 | 172 | -154.2 | 2.3 | 110.3 | D98 L108 | D98-R106 HydrophobicContact CB-CB 4.37Å; D98-R106 WeakPolarHBondContact CB-O 3.41Å; D98-R106 PolarHBondContact N-O 3.34Å; R106-L108 PolarHBondContact O-N 2.89Å | ||
| 107 | V | 84.6 | Confident | 81.1 | Confident | 67 Ų | 67 | 57.2 Ų | 57.2 | 41% | 0.406 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 118.6 | 169.2 | 179.3 | 0 | 0 | 0 | 0 | 108.5 | E95 V96 G109 | E95-V107 HydrophobicContact CG-CG1 3.72Å; V96-V107 CarbonylContact O-C 3.57Å; V107-G109 VanDerWaalsContact C-N 3.32Å |
| 108 | L | 83.4 | Confident | 80.9 | Confident | 32 Ų | 32 | 60.8 Ų | 60.8 | 17% | 0.168 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | -28.1 | 176.2 | -64.4 | -178 | 0 | 0 | 0 | 111.7 | V96 D98 R106 L120 M127 | V96-L108 HydrophobicContact CB-CB 4.34Å; V96-L108 HydrophobicContact CG1-CB 4.37Å; V96-L108 HydrophobicContact CG1-CD1 4.05Å; V96-L108 PolarHBondContact O-N 3.26Å; D98-L108 HydrophobicContact CB-CD1 4.3Å; D98-L108 HydrophobicContact CB-CD2 3.9Å; D98-L108 HydrophobicContact CB-CG 3.96Å; R106-L108 PolarHBondContact O-N 2.89Å; L108-L120 HydrophobicContact CB-CD2 4.46Å; L108-L120 HydrophobicContact CD1-CB 4.25Å; L108-M127 HydrophobicContact CD1-CE 3.79Å |
| 109 | G | 85.1 | Confident | 80.8 | Confident | 16 Ų | 16 | 64.5 Ų | 64.5 | 17% | 0.165 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 167.4 | 163.7 | 171 | 0 | 0 | 0 | 0 | 0 | 113.1 | E95 V96 V107 | E95-G109 WeakPolarHBondContact CA-O 3.2Å; V96-G109 PolarHBondContact N-O 3.44Å; V107-G109 VanDerWaalsContact C-N 3.32Å |
| 110 | R | 88.8 | Confident | 80.9 | Confident | 109 Ų | 109 | 64.5 Ų | 64.5 | 41% | 0.411 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 132.2 | 170.9 | -178.3 | -176.8 | -70.2 | -160.6 | -4.1 | 108.5 | C89 Y93 V94 E95 | C89-R110 HydrophobicContact CB-CG 4.23Å; Y93-R110 HydrophobicContact CD2-CG 4Å; Y93-R110 HydrophobicContact CG-CG 4.07Å; V94-R110 CarbonylContact O-C 3.58Å; V94-R110 WeakPolarHBondContact O-CA 3.46Å; E95-R110 HydrophobicContact CG-CB 4.35Å; E95-R110 IonicContact OE2-CZ 2.72Å; E95-R110 IonicContact OE2-NE 2.72Å; E95-R110 PolarHBondContact OE2-NE 2.92Å; E95-R110 IonicContact OE2-NH2 3.19Å; E95-R110 PolarHBondContact OE2-NH2 3.19Å |
| 111 | F | 92.8 | Very high | 81.3 | Confident | 38 Ų | 38 | 63 Ų | 63 | 17% | 0.167 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 141.4 | -170.5 | -50.9 | -81.1 | 0 | 0 | 0 | 111.5 | F81 Y93 V94 P117 L120 | F81-F111 HydrophobicContact CE1-CB 4.28Å; F81-F111 HydrophobicContact CE2-CB 4.28Å; F81-F111 HydrophobicContact CZ-CB 3.63Å; Y93-F111 WeakPolarHBondContact CA-O 3.24Å; V94-F111 PolarHBondContact N-O 3.48Å; V94-F111 PolarHBondContact O-N 3.07Å; F111-P117 HydrophobicContact CB-CG 3.9Å; F111-P117 HydrophobicContact CD1-CB 3.79Å; F111-P117 HydrophobicContact CD1-CG 4.05Å; F111-P117 HydrophobicContact CD2-CB 4.17Å; F111-P117 HydrophobicContact CD2-CG 4.31Å; F111-P117 HydrophobicContact CE1-CB 4Å; F111-P117 HydrophobicContact CE2-CB 4.37Å; F111-P117 HydrophobicContact CG-CB 3.88Å; F111-P117 HydrophobicContact CG-CG 3.81Å; F111-P117 HydrophobicContact CZ-CB 4.28Å; F111-L120 HydrophobicContact CE2-CD1 3.68Å; F111-L120 HydrophobicContact CZ-CD1 4.09Å; F111-L120 HydrophobicContact CZ-CD2 4.1Å |
| 112 | C | 93.3 | Very high | 82.4 | Confident | 18 Ų | 18 | 60.7 Ų | 60.7 | 12% | 0.122 | 35% | 0.353 | C | S | . | . | trans | -150.8 | -180 | 173.1 | 67.9 | 0 | 0 | 0 | 0 | 110.3 | C89 D92 | C89-C112 WeakPolarHBondContact CA-SG 3.3Å; C89-C112 HydrophobicContact CB-CB 3.51Å; C89-C112 WeakPolarHBondContact CB-SG 3.03Å; C89-C112 WeakPolarHBondContact SG-CB 3.43Å; C89-C112 PolarHBondContact SG-N 2.87Å; C89-C112 CovalentContact SG-SG 2.03Å; C89-C112 PolarHBondContact SG-SG 3.47Å; D92-C112 WeakPolarHBondContact O-CB 3.43Å | ||
| 113 | G | 93 | Very high | 83.1 | Confident | 4 Ų | 4 | 58.1 Ų | 58.1 | 4% | 0.041 | 34% | 0.343 | C | S | . | . | S | Bend | trans | 73.9 | -152.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | F81 S82 L83 E84 T85 | F81-G113 WeakPolarHBondContact CD1-O 3.44Å; F81-G113 WeakPolarHBondContact CE1-O 3.02Å; S82-G113 WeakPolarHBondContact CA-O 3.44Å; L83-G113 PolarHBondContact N-O 2.72Å; L83-G113 CarbonylContact O-C 3.55Å; L83-G113 WeakPolarHBondContact O-CA 3.45Å; L83-G113 PolarHBondContact O-N 3.4Å; E84-G113 PolarHBondContact O-N 2.88Å; T85-G113 VanDerWaalsContact OG1-CA 3.29Å; T85-G113 WeakPolarHBondContact OG1-CA 3.32Å |
| 114 | T | 89.3 | Confident | 84.5 | Confident | 83 Ų | 83 | 55.8 Ų | 55.8 | 51% | 0.509 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -111.3 | -2.7 | -172.7 | 56.4 | 0 | 0 | 0 | 0 | 114 | ||
| 115 | T | 86.8 | Confident | 86.1 | Confident | 115 Ų | 115 | 53.5 Ų | 53.5 | 71% | 0.706 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -75.6 | 131 | 176.7 | -53.6 | 0 | 0 | 0 | 0 | 109.5 | F81 P117 | F81-T115 WeakPolarHBondContact CD1-O 3.47Å; T115-P117 WeakPolarHBondContact O-CD 3.21Å |
| 116 | F | 84.3 | Confident | 87.4 | Confident | 117 Ų | 117 | 57.3 Ų | 57.3 | 51% | 0.513 | 30% | 0.303 | S | S | . | . | P | Polyproline II helix | trans | -65.5 | 127 | 178 | -87.6 | -86.8 | 0 | 0 | 0 | 111.6 | F78 R79 F81 | F78-F116 HydrophobicContact CB-CD1 4.47Å; R79-F116 WeakPolarHBondContact O-CE1 2.78Å; F81-F116 HydrophobicContact CB-CD1 4.38Å; F81-F116 HydrophobicContact CB-CE1 4.46Å |
| 117 | P | 88.9 | Confident | 88.1 | Confident | 11 Ų | 11 | 49.6 Ų | 49.6 | 7% | 0.071 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -63 | 147.9 | 169.2 | -21.3 | 33.2 | 0 | 0 | 0 | 111.2 | F78 F81 F111 T115 | F78-P117 HydrophobicContact CD1-CG 4.47Å; F78-P117 HydrophobicContact CD2-CB 3.66Å; F78-P117 HydrophobicContact CD2-CG 3.78Å; F78-P117 HydrophobicContact CE2-CB 3.87Å; F78-P117 HydrophobicContact CE2-CG 3.99Å; F78-P117 HydrophobicContact CG-CB 4.36Å; F78-P117 HydrophobicContact CG-CG 4.04Å; F78-P117 HydrophobicContact CZ-CG 4.42Å; F81-P117 HydrophobicContact CD1-CG 4.28Å; F81-P117 HydrophobicContact CD2-CG 3.82Å; F81-P117 HydrophobicContact CE1-CG 4.28Å; F81-P117 HydrophobicContact CE2-CG 3.83Å; F81-P117 HydrophobicContact CG-CG 4.06Å; F81-P117 HydrophobicContact CZ-CG 4.08Å; F111-P117 HydrophobicContact CB-CG 3.9Å; F111-P117 HydrophobicContact CD1-CB 3.79Å; F111-P117 HydrophobicContact CD1-CG 4.05Å; F111-P117 HydrophobicContact CD2-CB 4.17Å; F111-P117 HydrophobicContact CD2-CG 4.31Å; F111-P117 HydrophobicContact CE1-CB 4Å; F111-P117 HydrophobicContact CE2-CB 4.37Å; F111-P117 HydrophobicContact CG-CB 3.88Å; F111-P117 HydrophobicContact CG-CG 3.81Å; F111-P117 HydrophobicContact CZ-CB 4.28Å; T115-P117 WeakPolarHBondContact O-CD 3.21Å |
| 118 | P | 84.3 | Confident | 88.5 | Confident | 80 Ų | 80 | 46.4 Ų | 46.4 | 52% | 0.519 | 25% | 0.254 | S | S | . | . | P | Polyproline II helix | trans | -65.5 | 164.8 | 171.1 | 29.9 | -34.7 | 0 | 0 | 0 | 111.2 | L120 | P118-L120 HydrophobicContact CG-CD2 4.27Å; P118-L120 PolarHBondContact O-N 3.44Å |
| 119 | D | 86 | Confident | 89.1 | Confident | 99 Ų | 99 | 44.9 Ų | 44.9 | 53% | 0.529 | 25% | 0.246 | S | C | . | . | P | Polyproline II helix | trans | -64.6 | 127.2 | 170.2 | -79.1 | -16.2 | 0 | 0 | 0 | 109.7 | T75 L76 S77 | T75-D119 HydrophobicContact CG2-CB 4.45Å; L76-D119 WeakPolarHBondContact O-CA 3.45Å; S77-D119 WeakPolarHBondContact CA-OD1 3.46Å; S77-D119 WeakPolarHBondContact CB-OD1 3.3Å; S77-D119 PolarHBondContact OG-OD1 2.73Å; S77-D119 PolarHBondContact OG-OD2 3.47Å |
| 120 | L | 85.8 | Confident | 89.4 | Confident | 15 Ų | 15 | 44.6 Ų | 44.6 | 8% | 0.079 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 137.3 | -177.6 | -56.6 | 172.8 | 0 | 0 | 0 | 109.5 | T75 L76 F78 V96 L108 F111 P118 | T75-L120 CarbonylContact C-O 3.54Å; T75-L120 VanDerWaalsContact CA-O 3.29Å; T75-L120 WeakPolarHBondContact CA-O 3.42Å; L76-L120 PolarHBondContact N-O 3.41Å; L76-L120 PolarHBondContact O-N 2.8Å; F78-L120 HydrophobicContact CE2-CD1 4.5Å; V96-L120 HydrophobicContact CB-CD1 3.83Å; V96-L120 HydrophobicContact CG1-CD1 4.08Å; V96-L120 HydrophobicContact CG2-CD1 3.67Å; L108-L120 HydrophobicContact CB-CD2 4.46Å; L108-L120 HydrophobicContact CD1-CB 4.25Å; F111-L120 HydrophobicContact CE2-CD1 3.68Å; F111-L120 HydrophobicContact CZ-CD1 4.09Å; F111-L120 HydrophobicContact CZ-CD2 4.1Å; P118-L120 HydrophobicContact CG-CD2 4.27Å; P118-L120 PolarHBondContact O-N 3.44Å |
| 121 | T | 87.3 | Confident | 89.7 | Confident | 39 Ų | 39 | 39.4 Ų | 39.4 | 24% | 0.239 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 132.3 | 179.5 | -62.5 | 0 | 0 | 0 | 0 | 109.7 | V73 I74 T75 | V73-T121 HydrophobicContact CB-CG2 4.45Å; V73-T121 HydrophobicContact CG2-CG2 3.98Å; I74-T121 CarbonylContact O-C 3.24Å; I74-T121 VanDerWaalsContact O-CA 3.29Å; I74-T121 WeakPolarHBondContact O-CA 3.4Å; T75-T121 PolarHBondContact OG1-OG1 2.02Å |
| 122 | S | 89.8 | Confident | 89.6 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.007 | 22% | 0.224 | C | C | . | . | trans | -75.3 | 155.6 | 173.4 | 58.8 | 0 | 0 | 0 | 0 | 111.8 | V73 I74 D98 G124 | V73-S122 WeakPolarHBondContact CB-O 3.37Å; V73-S122 WeakPolarHBondContact CG1-O 3.43Å; I74-S122 WeakPolarHBondContact CB-OG 3.25Å; I74-S122 PolarHBondContact N-OG 3.49Å; I74-S122 PolarHBondContact O-N 2.94Å; I74-S122 PolarHBondContact O-OG 2.03Å; D98-S122 WeakPolarHBondContact OD1-CA 3.36Å; D98-S122 WeakPolarHBondContact OD1-CB 3.12Å; S122-G124 WeakPolarHBondContact CB-O 3.2Å; S122-G124 PolarHBondContact OG-O 3.43Å | ||
| 123 | S | 82.9 | Confident | 89.4 | Confident | 37 Ų | 37 | 38.6 Ų | 38.6 | 26% | 0.259 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -77.4 | -25.1 | 169.8 | 57.5 | 0 | 0 | 0 | 0 | 112.5 | D98 | D98-S123 VanDerWaalsContact CG-N 3.34Å; D98-S123 PolarHBondContact OD1-N 3.35Å; D98-S123 PolarHBondContact OD1-OG 3.38Å; D98-S123 WeakPolarHBondContact OD2-CB 3.35Å; D98-S123 PolarHBondContact OD2-N 2.91Å; D98-S123 VanDerWaalsContact OD2-N 3.09Å; D98-S123 PolarHBondContact OD2-OG 3.36Å |
| 124 | G | 86.6 | Confident | 89 | Confident | 20 Ų | 20 | 40.7 Ų | 40.7 | 21% | 0.206 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -129.8 | -169.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | S122 Y126 | S122-G124 WeakPolarHBondContact CB-O 3.2Å; S122-G124 PolarHBondContact OG-O 3.43Å; G124-Y126 PolarHBondContact O-N 2.85Å |
| 125 | P | 89.9 | Confident | 88.7 | Confident | 30 Ų | 30 | 43.5 Ų | 43.5 | 20% | 0.195 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -79.4 | 9 | -178.9 | 33 | -35.1 | 0 | 0 | 0 | 113.5 | S67 V68 H72 I74 | S67-P125 WeakPolarHBondContact CA-O 3.34Å; V68-P125 HydrophobicContact CG2-CB 3.84Å; V68-P125 PolarHBondContact N-O 2.98Å; H72-P125 WeakPolarHBondContact O-CA 3.25Å; I74-P125 WeakPolarHBondContact CD1-O 3.45Å |
| 126 | Y | 92.7 | Very high | 88.4 | Confident | 110 Ų | 110 | 39.5 Ų | 39.5 | 43% | 0.431 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 139.7 | -176.3 | -56.5 | -68.4 | 0 | 0 | 0 | 111.3 | I66 G124 | I66-Y126 WeakPolarHBondContact O-CA 3.49Å; G124-Y126 PolarHBondContact O-N 2.85Å |
| 127 | M | 94.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 136.6 | 174.1 | 179.8 | 179.4 | -74.4 | 0 | 0 | 109.1 | I66 I74 L76 V96 S99 L108 | I66-M127 WeakPolarHBondContact CA-O 3.36Å; I66-M127 HydrophobicContact CB-CB 4.43Å; I66-M127 WeakPolarHBondContact CB-O 3.32Å; I66-M127 PolarHBondContact N-O 2.03Å; I66-M127 PolarHBondContact O-N 3.24Å; I74-M127 HydrophobicContact CB-CB 4.28Å; I74-M127 HydrophobicContact CB-CE 4.21Å; I74-M127 HydrophobicContact CD1-CB 3.71Å; I74-M127 HydrophobicContact CG2-CB 4.27Å; I74-M127 HydrophobicContact CG2-CE 4.15Å; I74-M127 HydrophobicContact CG2-SD 3.95Å; I74-M127 WeakPolarHBondContact O-CE 3.17Å; L76-M127 HydrophobicContact CB-SD 3.87Å; L76-M127 HydrophobicContact CD2-SD 4.28Å; V96-M127 HydrophobicContact CG1-CE 4.44Å; V96-M127 HydrophobicContact CG1-CG 3.89Å; V96-M127 HydrophobicContact CG1-SD 3.79Å; S99-M127 CarbonylContact O-C 3.54Å; L108-M127 HydrophobicContact CD1-CE 3.79Å |
| 128 | T | 93.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 129.5 | 175.6 | -58.4 | 0 | 0 | 0 | 0 | 110 | V63 W64 H97 S99 S100 I102 V130 | V63-T128 HydrophobicContact CG1-CG2 3.81Å; W64-T128 CarbonylContact O-C 3.5Å; W64-T128 WeakPolarHBondContact O-CA 3.2Å; H97-T128 PolarHBondContact N-O 3.01Å; H97-T128 PolarHBondContact O-N 3.32Å; S99-T128 PolarHBondContact O-N 3.09Å; S99-T128 PolarHBondContact O-OG1 2.71Å; S100-T128 PolarHBondContact O-OG1 3.14Å; I102-T128 HydrophobicContact CG1-CG2 3.99Å; T128-V130 HydrophobicContact CG2-CG2 4.25Å |
| 129 | V | 95.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 128.3 | 177.2 | -177.7 | 0 | 0 | 0 | 0 | 108.4 | L47 V63 W64 I66 L76 V94 V96 | L47-V129 HydrophobicContact CD1-CG1 4.48Å; L47-V129 HydrophobicContact CD2-CG2 4.26Å; V63-V129 WeakPolarHBondContact CA-O 3.23Å; W64-V129 HydrophobicContact CB-CB 4.37Å; W64-V129 HydrophobicContact CE3-CB 4.18Å; W64-V129 HydrophobicContact CE3-CG1 4.07Å; W64-V129 HydrophobicContact CZ3-CG1 4.49Å; W64-V129 PolarHBondContact N-O 2.77Å; W64-V129 PolarHBondContact O-N 3.09Å; I66-V129 HydrophobicContact CD1-CG2 4.11Å; L76-V129 HydrophobicContact CD2-CG2 3.85Å; V94-V129 HydrophobicContact CG1-CG1 3.88Å; V96-V129 HydrophobicContact CG1-CG2 4.3Å; V96-V129 HydrophobicContact CG2-CG1 4.39Å; V96-V129 HydrophobicContact CG2-CG2 4.42Å |
| 130 | V | 92.8 | Very high | 89.2 | Confident | 11 Ų | 11 | 34 Ų | 34 | 7% | 0.067 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 127.4 | -179.3 | -175.4 | 0 | 0 | 0 | 0 | 108.5 | C62 V63 V94 E95 I102 T128 V132 | C62-V130 CarbonylContact O-C 3.58Å; C62-V130 WeakPolarHBondContact O-CA 3.39Å; V63-V130 HydrophobicContact CG1-CG2 4.42Å; V63-V130 HydrophobicContact CG2-CG1 4.43Å; V94-V130 CarbonylContact C-O 3.58Å; V94-V130 VanDerWaalsContact CA-O 3.29Å; V94-V130 WeakPolarHBondContact CA-O 2.96Å; E95-V130 PolarHBondContact N-O 3.49Å; E95-V130 PolarHBondContact O-N 2.93Å; I102-V130 HydrophobicContact CD1-CG2 3.85Å; I102-V130 HydrophobicContact CG1-CG2 3.99Å; T128-V130 HydrophobicContact CG2-CG2 4.25Å; V130-V132 HydrophobicContact CG1-CG2 4.03Å |
| 131 | F | 94.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 128.5 | 170.1 | 169.8 | -121 | 0 | 0 | 0 | 109.2 | Y56 Q60 S61 C62 W64 L83 Y93 V94 A133 F142 | Y56-F131 HydrophobicContact CD1-CZ 4.03Å; Y56-F131 HydrophobicContact CD2-CE1 4.34Å; Y56-F131 AromaticContact CD2-CZ 3.73Å; Y56-F131 HydrophobicContact CD2-CZ 3.73Å; Y56-F131 HydrophobicContact CE1-CZ 4.33Å; Y56-F131 HydrophobicContact CE2-CZ 4.04Å; Y56-F131 HydrophobicContact CG-CE1 4.22Å; Y56-F131 AromaticContact CG-CZ 3.73Å; Y56-F131 HydrophobicContact CG-CZ 3.73Å; Q60-F131 HydrophobicContact CB-CE1 4.4Å; S61-F131 CarbonylContact C-O 3.4Å; S61-F131 WeakPolarHBondContact CA-O 3.34Å; C62-F131 HydrophobicContact CB-CB 4.16Å; C62-F131 HydrophobicContact CB-CD1 4.37Å; C62-F131 PolarHBondContact N-O 3.17Å; C62-F131 PolarHBondContact O-N 3.33Å; W64-F131 HydrophobicContact CH2-CB 4.23Å; W64-F131 HydrophobicContact CZ3-CB 3.81Å; L83-F131 HydrophobicContact CD1-CD2 4.42Å; L83-F131 HydrophobicContact CD1-CE2 4.1Å; L83-F131 HydrophobicContact CD2-CE2 3.61Å; L83-F131 HydrophobicContact CD2-CZ 4.15Å; Y93-F131 WeakPolarHBondContact O-CA 3.32Å; Y93-F131 WeakPolarHBondContact O-CD2 3.32Å; V94-F131 HydrophobicContact CG2-CB 4.16Å; V94-F131 HydrophobicContact CG2-CD2 3.7Å; V94-F131 HydrophobicContact CG2-CG 4.32Å; F131-A133 HydrophobicContact CE1-CB 4.32Å; F131-A133 HydrophobicContact CZ-CB 3.91Å; F131-F142 HydrophobicContact CB-CE1 3.78Å; F131-F142 HydrophobicContact CB-CZ 4.03Å; F131-F142 HydrophobicContact CD1-CE1 4.1Å; F131-F142 HydrophobicContact CD2-CD1 4.33Å; F131-F142 AromaticContact CD2-CE1 3.7Å; F131-F142 HydrophobicContact CD2-CE1 3.7Å; F131-F142 HydrophobicContact CE2-CE1 4.32Å; F131-F142 AromaticContact CG-CE1 3.58Å; F131-F142 HydrophobicContact CG-CE1 3.58Å; F131-F142 HydrophobicContact CG-CZ 4.3Å |
| 132 | V | 91.1 | Very high | 90 | Very high | 34 Ų | 34 | 31.5 Ų | 31.5 | 21% | 0.206 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 135.9 | 176.4 | -179.8 | 0 | 0 | 0 | 0 | 108.7 | Q60 D92 Y93 V130 | Q60-V132 CarbonylContact O-C 3.54Å; Q60-V132 WeakPolarHBondContact O-CA 3.4Å; D92-V132 WeakPolarHBondContact CA-O 3.41Å; Y93-V132 HydrophobicContact CD1-CB 4.34Å; Y93-V132 HydrophobicContact CE1-CB 3.84Å; Y93-V132 HydrophobicContact CE1-CG1 4.15Å; Y93-V132 HydrophobicContact CE1-CG2 4.32Å; Y93-V132 HydrophobicContact CE2-CB 4.1Å; Y93-V132 HydrophobicContact CE2-CG2 3.9Å; Y93-V132 PolarHBondContact N-O 3.48Å; Y93-V132 PolarHBondContact O-N 3.48Å; V130-V132 HydrophobicContact CG1-CG2 4.03Å |
| 133 | A | 88.2 | Confident | 90.3 | Very high | 5 Ų | 5 | 32.8 Ų | 32.8 | 4% | 0.041 | 19% | 0.191 | C | C | . | . | trans | -127.6 | 139.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y56 Q59 Q60 D92 F131 | Y56-A133 HydrophobicContact CD2-CB 3.73Å; Y56-A133 HydrophobicContact CE2-CB 3.68Å; Q59-A133 CarbonylContact C-O 3.54Å; Q59-A133 WeakPolarHBondContact CA-O 3.48Å; Q59-A133 PolarHBondContact N-O 3.46Å; Q60-A133 HydrophobicContact CB-CB 4.2Å; Q60-A133 PolarHBondContact N-O 3.23Å; Q60-A133 PolarHBondContact O-N 3.31Å; D92-A133 WeakPolarHBondContact OD1-CA 3.48Å; F131-A133 HydrophobicContact CE1-CB 4.32Å; F131-A133 HydrophobicContact CZ-CB 3.91Å | ||
| 134 | D | 85.1 | Confident | 91 | Very high | 47 Ų | 47 | 31 Ų | 31 | 25% | 0.251 | 18% | 0.179 | S | C | . | . | trans | -90.1 | -164.5 | -179.1 | 87.5 | -22.7 | 0 | 0 | 0 | 112.3 | H58 Q59 F91 D92 G136 | H58-D134 CarbonylContact C-O 3.56Å; H58-D134 WeakPolarHBondContact CA-O 3.04Å; H58-D134 VanDerWaalsContact CB-O 3.3Å; H58-D134 WeakPolarHBondContact CB-O 3.45Å; Q59-D134 PolarHBondContact N-O 3.28Å; F91-D134 HydrophobicContact CB-CB 4.29Å; F91-D134 WeakPolarHBondContact CD1-OD2 3.42Å; D92-D134 PolarHBondContact OD1-N 2.95Å; D134-G136 VanDerWaalsContact OD1-CA 3.26Å; D134-G136 WeakPolarHBondContact OD1-CA 3.39Å; D134-G136 PolarHBondContact OD1-N 3.25Å | ||
| 135 | E | 81.4 | Confident | 91.5 | Very high | 142 Ų | 142 | 32 Ų | 32 | 66% | 0.664 | 18% | 0.181 | S | C | * | . | S | Bend | trans | -81.7 | -0.7 | 177.4 | -50 | -154.6 | 131.4 | 0 | 0 | 113.9 | Q59 | Q59-E135 HydrophobicContact CG-CB 4.44Å; Q59-E135 HydrophobicContact CG-CG 3.64Å; Q59-E135 VanDerWaalsContact NE2-CD 3.3Å; Q59-E135 VanDerWaalsContact NE2-CG 3.34Å; Q59-E135 PolarHBondContact NE2-OE1 3.22Å; Q59-E135 PolarHBondContact OE1-OE1 2.72Å |
| 136 | G | 80.9 | Confident | 91.8 | Very high | 32 Ų | 32 | 31 Ų | 31 | 33% | 0.33 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -93.6 | -132 | -163.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | H58 D134 | H58-G136 PolarHBondContact CE1-O 2.8Å; H58-G136 PolarHBondContact ND1-O 2.78Å; D134-G136 VanDerWaalsContact OD1-CA 3.26Å; D134-G136 WeakPolarHBondContact OD1-CA 3.39Å; D134-G136 PolarHBondContact OD1-N 3.25Å |
| 137 | V | 86.5 | Confident | 92 | Very high | 83 Ų | 83 | 31.5 Ų | 31.5 | 50% | 0.503 | 17% | 0.174 | S | C | . | . | trans | -79.8 | 136.4 | -173.6 | 179.9 | 0 | 0 | 0 | 0 | 109.9 | E84 | E84-V137 HydrophobicContact CG-CB 4.09Å; E84-V137 WeakPolarHBondContact OE1-CB 3.13Å | ||
| 138 | A | 88.2 | Confident | 91.9 | Very high | 21 Ų | 21 | 32.6 Ų | 32.6 | 17% | 0.174 | 18% | 0.183 | C | C | . | . | trans | -120.7 | 135.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | P55 Y56 H58 | P55-A138 HydrophobicContact CB-CB 4.34Å; Y56-A138 HydrophobicContact CD2-CB 3.8Å; Y56-A138 HydrophobicContact CE2-CB 3.6Å; Y56-A138 HydrophobicContact CG-CB 4.36Å; Y56-A138 WeakPolarHBondContact O-CB 3.36Å; H58-A138 VanDerWaalsContact CE1-CB 3.46Å; H58-A138 WeakPolarHBondContact CE1-CB 3.47Å | ||
| 139 | D | 92.9 | Very high | 91.7 | Very high | 54 Ų | 54 | 34.2 Ų | 34.2 | 29% | 0.289 | 19% | 0.193 | S | C | . | . | trans | -111.5 | -177.1 | 176.5 | -86.5 | -27.7 | 0 | 0 | 0 | 112 | P55 Y56 S82 G141 | P55-D139 WeakPolarHBondContact CA-O 3.03Å; Y56-D139 WeakPolarHBondContact CD1-O 3.06Å; Y56-D139 HydrophobicContact CE1-CB 4.27Å; Y56-D139 WeakPolarHBondContact CE1-O 3.37Å; Y56-D139 PolarHBondContact N-O 3.33Å; Y56-D139 PolarHBondContact OH-N 3.17Å; S82-D139 VanDerWaalsContact O-CB 3.24Å; S82-D139 WeakPolarHBondContact O-CB 3.37Å; D139-G141 PolarHBondContact O-N 2.97Å | ||
| 140 | S | 93.2 | Very high | 91.1 | Very high | 34 Ų | 34 | 35.4 Ų | 35.4 | 24% | 0.238 | 20% | 0.201 | C | C | . | . | trans | -60.4 | -9.3 | -176.7 | 59.4 | 0 | 0 | 0 | 0 | 115.3 | H52 P53 S82 | H52-S140 PolarHBondContact ND1-O 3.03Å; P53-S140 VanDerWaalsContact O-CB 3.22Å; P53-S140 WeakPolarHBondContact O-CB 3.43Å; S82-S140 WeakPolarHBondContact CB-OG 3.48Å | ||
| 141 | G | 94.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 78.6 | -147.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | S49 Y56 S82 D139 | S49-G141 VanDerWaalsContact OG-CA 3.29Å; S49-G141 WeakPolarHBondContact OG-CA 3.48Å; Y56-G141 VanDerWaalsContact CD1-CA 3.48Å; S82-G141 PolarHBondContact N-O 3.16Å; S82-G141 VanDerWaalsContact O-CA 3.24Å; S82-G141 WeakPolarHBondContact O-CA 3.3Å; S82-G141 PolarHBondContact O-N 3.1Å; D139-G141 PolarHBondContact O-N 2.97Å |
| 142 | F | 95.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 161.8 | -176.8 | 71.2 | -87.9 | 0 | 0 | 0 | 112.8 | L47 A48 S49 W64 F78 N80 F81 L83 V94 F131 | L47-F142 HydrophobicContact CD1-CD2 4.29Å; L47-F142 HydrophobicContact CD1-CE2 3.54Å; A48-F142 CarbonylContact C-O 3.56Å; A48-F142 WeakPolarHBondContact CA-O 3.37Å; A48-F142 VanDerWaalsContact CB-O 3.32Å; A48-F142 WeakPolarHBondContact CB-O 3.31Å; S49-F142 PolarHBondContact N-O 2.96Å; S49-F142 PolarHBondContact OG-N 2.97Å; S49-F142 PolarHBondContact OG-O 3.21Å; W64-F142 AromaticContact CH2-CZ 3.75Å; W64-F142 HydrophobicContact CH2-CZ 3.75Å; W64-F142 AromaticContact CZ3-CZ 3.81Å; W64-F142 HydrophobicContact CZ3-CZ 3.81Å; F78-F142 HydrophobicContact CD1-CB 4.25Å; F78-F142 HydrophobicContact CD1-CD2 4.19Å; F78-F142 HydrophobicContact CD1-CG 4.49Å; F78-F142 HydrophobicContact CE1-CB 4.39Å; F78-F142 AromaticContact CE1-CD2 3.82Å; F78-F142 HydrophobicContact CE1-CD2 3.82Å; F78-F142 HydrophobicContact CE1-CE2 4.45Å; F78-F142 HydrophobicContact CE1-CG 4.2Å; N80-F142 CarbonylContact O-C 3.56Å; N80-F142 WeakPolarHBondContact O-CA 3.49Å; N80-F142 WeakPolarHBondContact O-CB 3.4Å; F81-F142 HydrophobicContact CD2-CB 3.74Å; F81-F142 HydrophobicContact CE2-CB 4.32Å; L83-F142 HydrophobicContact CD2-CD1 4.5Å; V94-F142 HydrophobicContact CG2-CD1 3.52Å; V94-F142 HydrophobicContact CG2-CE1 3.35Å; V94-F142 HydrophobicContact CG2-CG 4.22Å; V94-F142 HydrophobicContact CG2-CZ 3.91Å; F131-F142 HydrophobicContact CB-CE1 3.78Å; F131-F142 HydrophobicContact CB-CZ 4.03Å; F131-F142 HydrophobicContact CD1-CE1 4.1Å; F131-F142 HydrophobicContact CD2-CD1 4.33Å; F131-F142 AromaticContact CD2-CE1 3.7Å; F131-F142 HydrophobicContact CD2-CE1 3.7Å; F131-F142 HydrophobicContact CE2-CE1 4.32Å; F131-F142 AromaticContact CG-CE1 3.58Å; F131-F142 HydrophobicContact CG-CE1 3.58Å; F131-F142 HydrophobicContact CG-CZ 4.3Å |
| 143 | N | 95.6 | Very high | 87.1 | Confident | 29 Ų | 29 | 48.5 Ų | 48.5 | 16% | 0.155 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 129.2 | 170.6 | 162.7 | -5.4 | 0 | 0 | 0 | 107.5 | Y46 A48 R79 N80 | Y46-N143 WeakPolarHBondContact CD2-OD1 3.25Å; Y46-N143 HydrophobicContact CE2-CB 4.38Å; Y46-N143 VanDerWaalsContact CE2-ND2 3.29Å; Y46-N143 WeakPolarHBondContact CE2-ND2 3.38Å; Y46-N143 WeakPolarHBondContact CE2-OD1 3.07Å; Y46-N143 VanDerWaalsContact CZ-CG 3.49Å; Y46-N143 PolarHBondContact OH-ND2 3.12Å; Y46-N143 VanDerWaalsContact OH-ND2 3.11Å; A48-N143 HydrophobicContact CB-CB 4.32Å; R79-N143 PolarHBondContact N-O 2.94Å; N80-N143 HydrophobicContact CB-CB 4.4Å; N80-N143 PolarHBondContact N-O 3.42Å; N80-N143 PolarHBondContact O-N 3.32Å |
| 144 | A | 96.6 | Very high | 85.9 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 154.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L47 L76 S77 F78 | L47-A144 HydrophobicContact CD1-CB 3.69Å; L47-A144 HydrophobicContact CG-CB 4.29Å; L47-A144 PolarHBondContact N-O 3.06Å; L47-A144 PolarHBondContact O-N 2.91Å; L47-A144 VanDerWaalsContact O-O 3.07Å; L76-A144 HydrophobicContact CD1-CB 3.85Å; L76-A144 HydrophobicContact CG-CB 4.37Å; S77-A144 CarbonylContact O-C 3.54Å; S77-A144 VanDerWaalsContact O-CA 3.25Å; S77-A144 WeakPolarHBondContact O-CA 3.41Å; S77-A144 WeakPolarHBondContact O-CB 3.15Å; F78-A144 HydrophobicContact CD1-CB 3.8Å; F78-A144 HydrophobicContact CE1-CB 4.07Å; F78-A144 HydrophobicContact CG-CB 4.1Å |
| 145 | T | 97.4 | Very high | 84.7 | Confident | 41 Ų | 41 | 55.2 Ų | 55.2 | 25% | 0.252 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 137.7 | 174.7 | 53 | 0 | 0 | 0 | 0 | 109.1 | G45 Y46 S77 R79 | G45-T145 CarbonylContact O-C 3.56Å; G45-T145 VanDerWaalsContact O-CA 3.31Å; G45-T145 WeakPolarHBondContact O-CA 3.25Å; Y46-T145 HydrophobicContact CD2-CG2 4.14Å; S77-T145 PolarHBondContact N-O 3.37Å; S77-T145 PolarHBondContact O-N 2.63Å; R79-T145 HydrophobicContact CG-CG2 4.41Å; R79-T145 PolarHBondContact NE-OG1 3.46Å |
| 146 | Y | 97.2 | Very high | 84.1 | Confident | 9 Ų | 9 | 49.9 Ų | 49.9 | 4% | 0.035 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 152.2 | 171.1 | 74.1 | -95.2 | 0 | 0 | 0 | 110.9 | K40 G42 H44 G45 L47 I66 I74 T75 | K40-Y146 HydrophobicContact CB-CE1 3.96Å; K40-Y146 HydrophobicContact CG-CE1 4.36Å; G42-Y146 WeakPolarHBondContact O-CE2 3.29Å; H44-Y146 CarbonylContact C-O 3.55Å; H44-Y146 VanDerWaalsContact CA-O 3.25Å; H44-Y146 WeakPolarHBondContact CA-O 3.21Å; G45-Y146 VanDerWaalsContact CA-CZ 3.48Å; G45-Y146 PolarHBondContact N-O 3.1Å; G45-Y146 PolarHBondContact O-N 3Å; L47-Y146 HydrophobicContact CD2-CD1 4.45Å; I66-Y146 HydrophobicContact CD1-CD1 3.94Å; I66-Y146 HydrophobicContact CD1-CE1 4.47Å; I66-Y146 HydrophobicContact CD1-CG 4.17Å; I66-Y146 HydrophobicContact CG2-CD1 4.18Å; I66-Y146 HydrophobicContact CG2-CD2 3.69Å; I66-Y146 HydrophobicContact CG2-CE1 4.08Å; I66-Y146 HydrophobicContact CG2-CE2 3.61Å; I66-Y146 HydrophobicContact CG2-CG 4Å; I74-Y146 HydrophobicContact CG2-CD2 4.31Å; I74-Y146 HydrophobicContact CG2-CG 4.46Å; T75-Y146 CarbonylContact O-C 3.51Å; T75-Y146 VanDerWaalsContact O-CA 3.26Å; T75-Y146 WeakPolarHBondContact O-CA 3.26Å |
| 147 | R | 95.9 | Very high | 83.7 | Confident | 120 Ų | 120 | 49.8 Ų | 49.8 | 45% | 0.453 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 145.3 | 172.1 | 65.1 | 176.8 | -176.2 | -105.9 | -2 | 111.3 | P43 T75 V149 | P43-R147 CarbonylContact O-C 3.4Å; P43-R147 WeakPolarHBondContact O-CA 3.47Å; T75-R147 PolarHBondContact N-O 2.81Å; T75-R147 PolarHBondContact O-N 3.38Å; R147-V149 HydrophobicContact CG-CG2 4.16Å |
| 148 | A | 93.3 | Very high | 82.7 | Confident | 23 Ų | 23 | 51.9 Ų | 51.9 | 19% | 0.19 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 129.6 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | P43 V68 H72 V73 | P43-A148 HydrophobicContact CB-CB 4.15Å; P43-A148 PolarHBondContact O-N 2.84Å; V68-A148 HydrophobicContact CB-CB 4.06Å; V68-A148 HydrophobicContact CG1-CB 3.77Å; H72-A148 HydrophobicContact CB-CB 4.09Å; V73-A148 CarbonylContact O-C 3.56Å; V73-A148 WeakPolarHBondContact O-CA 3.35Å |
| 149 | V | 88.6 | Confident | 81.7 | Confident | 33 Ų | 33 | 55.8 Ų | 55.8 | 20% | 0.2 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 118.7 | 175.2 | -178.4 | 0 | 0 | 0 | 0 | 107.5 | H72 V73 R147 V151 R154 | H72-V149 VanDerWaalsContact CA-O 3.32Å; H72-V149 WeakPolarHBondContact CA-O 3.05Å; V73-V149 HydrophobicContact CG2-CB 4.19Å; V73-V149 PolarHBondContact N-O 3.36Å; V73-V149 PolarHBondContact O-N 3.21Å; R147-V149 HydrophobicContact CG-CG2 4.16Å; V149-V151 PolarHBondContact O-N 2.96Å; V149-R154 HydrophobicContact CG1-CG 4.28Å |
| 150 | S | 83.1 | Confident | 80.7 | Confident | 25 Ų | 25 | 56.6 Ų | 56.6 | 18% | 0.175 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 127.2 | 177 | -179.8 | 0 | 0 | 0 | 0 | 109.7 | H72 L152 N153 | H72-S150 WeakPolarHBondContact CD2-CA 3.44Å; H72-S150 PolarHBondContact CD2-N 2.98Å; H72-S150 VanDerWaalsContact CD2-N 3.34Å; S150-L152 PolarHBondContact O-N 3.42Å; S150-L152 PolarHBondContact OG-N 2.74Å; S150-N153 PolarHBondContact O-N 3.42Å |
| 151 | V | 70.9 | Confident | 79.8 | Confident | 30 Ų | 30 | 57 Ų | 57 | 18% | 0.182 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -64.1 | -33.7 | 176.2 | 176.6 | 0 | 0 | 0 | 0 | 110.7 | G71 V73 V149 N153 R154 S164 | G71-V151 WeakPolarHBondContact O-CB 3.06Å; G71-V151 WeakPolarHBondContact O-CG2 3.37Å; G71-V151 PolarHBondContact O-N 3.34Å; V73-V151 HydrophobicContact CG1-CG2 3.96Å; V149-V151 PolarHBondContact O-N 2.96Å; V151-N153 VanDerWaalsContact C-N 3.32Å; V151-N153 PolarHBondContact O-N 2.84Å; V151-R154 PolarHBondContact O-N 3.3Å; V151-S164 WeakPolarHBondContact CG1-O 3.45Å |
| 152 | L | 65.7 | Low | 78.7 | Confident | 157 Ų | 157 | 59.4 Ų | 59.4 | 82% | 0.822 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -71.1 | -21.2 | -177.7 | -65 | 170.6 | 0 | 0 | 0 | 114.4 | S150 | S150-L152 PolarHBondContact O-N 3.42Å; S150-L152 PolarHBondContact OG-N 2.74Å |
| 153 | N | 58.4 | Low | 77.6 | Confident | 133 Ų | 133 | 59.8 Ų | 59.8 | 71% | 0.711 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -101.8 | 5.8 | -178.7 | -76.1 | -27.2 | 0 | 0 | 0 | 113.4 | S150 V151 T155 | S150-N153 PolarHBondContact O-N 3.42Å; V151-N153 VanDerWaalsContact C-N 3.32Å; V151-N153 PolarHBondContact O-N 2.84Å; N153-T155 PolarHBondContact O-N 3.34Å |
| 154 | R | 61.7 | Low | 76.4 | Confident | 58 Ų | 58 | 62.2 Ų | 62.2 | 22% | 0.219 | 36% | 0.361 | C | S | . | . | trans | -76.3 | 95.3 | 174.1 | -70.9 | -169.4 | 179.8 | -157.3 | -0.6 | 109.1 | V149 V151 C156 G166 | V149-R154 HydrophobicContact CG1-CG 4.28Å; V151-R154 PolarHBondContact O-N 3.3Å; R154-C156 PolarHBondContact O-N 2.87Å; R154-G166 WeakPolarHBondContact CD-O 3.49Å; R154-G166 PolarHBondContact NE-O 3.26Å; R154-G166 VanDerWaalsContact NH1-C 3.28Å; R154-G166 PolarHBondContact NH1-O 3.37Å | ||
| 155 | T | 61.2 | Low | 74.7 | Confident | 136 Ų | 136 | 63 Ų | 63 | 83% | 0.834 | 37% | 0.366 | S | S | * | . | trans | -80.8 | 104 | 165.9 | 44.1 | 0 | 0 | 0 | 0 | 107.6 | N153 | N153-T155 PolarHBondContact O-N 3.34Š| ||
| 156 | C | 68.9 | Low | 73.2 | Confident | 30 Ų | 30 | 61.1 Ų | 61.1 | 20% | 0.203 | 35% | 0.354 | C | S | . | . | trans | -68.1 | 156.2 | 173.1 | -63 | 0 | 0 | 0 | 0 | 110.4 | R154 Q160 A162 C168 | R154-C156 PolarHBondContact O-N 2.87Å; C156-Q160 HydrophobicContact CB-CB 3.62Å; C156-Q160 WeakPolarHBondContact CB-O 3.43Å; C156-A162 VanDerWaalsContact SG-CA 3.58Å; C156-A162 VanDerWaalsContact SG-CB 3.58Å; C156-C168 WeakPolarHBondContact CA-SG 3.18Å; C156-C168 HydrophobicContact CB-CB 3.82Å; C156-C168 WeakPolarHBondContact CB-SG 3.1Å; C156-C168 VanDerWaalsContact SG-CA 3.52Å; C156-C168 WeakPolarHBondContact SG-CB 3.35Å; C156-C168 CovalentContact SG-SG 2.05Å; C156-C168 PolarHBondContact SG-SG 3.38Å | ||
| 157 | G | 72.1 | Confident | 71.9 | Confident | 29 Ų | 29 | 63.3 Ų | 63.3 | 30% | 0.299 | 36% | 0.364 | S | S | . | . | trans | -58.2 | 167.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.7 | N159 Q160 | G157-N159 PolarHBondContact O-N 2.94Å; G157-Q160 VanDerWaalsContact N-OE1 3.1Å; G157-Q160 PolarHBondContact O-N 2.71Å | ||
| 158 | P | 65.6 | Low | 70.8 | Confident | 128 Ų | 128 | 60 Ų | 60 | 83% | 0.831 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -18 | -174 | 20.5 | -31.9 | 0 | 0 | 0 | 115.3 | ||
| 159 | N | 66.3 | Low | 69.8 | Low | 102 Ų | 102 | 59.4 Ų | 59.4 | 55% | 0.545 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.2 | 22.7 | 177.9 | -63.9 | -11.5 | 0 | 0 | 0 | 112.9 | G157 Q170 Q171 | G157-N159 PolarHBondContact O-N 2.94Å; N159-Q170 PolarHBondContact O-OE1 3.15Å; N159-Q171 WeakPolarHBondContact O-CB 3.39Å; N159-Q171 PolarHBondContact O-N 3.12Å |
| 160 | Q | 72.7 | Confident | 69.1 | Low | 71 Ų | 71 | 61.2 Ų | 61.2 | 33% | 0.332 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 146.2 | -176.7 | -70.5 | 174.7 | -16.1 | 0 | 0 | 111.7 | C156 G157 C168 L169 | C156-Q160 HydrophobicContact CB-CB 3.62Å; C156-Q160 WeakPolarHBondContact CB-O 3.43Å; G157-Q160 VanDerWaalsContact N-OE1 3.1Å; G157-Q160 PolarHBondContact O-N 2.71Å; Q160-C168 HydrophobicContact CB-CB 4.3Å; Q160-L169 CarbonylContact C-O 3.59Å; Q160-L169 WeakPolarHBondContact CA-O 3.39Å; Q160-L169 WeakPolarHBondContact CB-O 3.16Å |
| 161 | V | 73.1 | Confident | 68.3 | Low | 43 Ų | 43 | 63.6 Ų | 63.6 | 26% | 0.261 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 137.2 | -179.7 | -174 | 0 | 0 | 0 | 0 | 109 | C168 L169 Q171 L174 | V161-C168 CarbonylContact O-C 3.59Å; V161-C168 WeakPolarHBondContact O-CA 3.45Å; V161-L169 PolarHBondContact N-O 2.76Å; V161-L169 PolarHBondContact O-N 3.23Å; V161-Q171 HydrophobicContact CG2-CG 3.71Å; V161-L174 HydrophobicContact CG1-CD1 4.17Å |
| 162 | A | 73.3 | Confident | 68.1 | Low | 51 Ų | 51 | 68 Ų | 68 | 42% | 0.421 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 126.4 | 177 | 0 | 0 | 0 | 0 | 0 | 110.5 | C156 E167 | C156-A162 VanDerWaalsContact SG-CA 3.58Å; C156-A162 VanDerWaalsContact SG-CB 3.58Å; A162-E167 CarbonylContact C-O 3.35Å; A162-E167 WeakPolarHBondContact CA-O 3.4Å |
| 163 | C | 73.2 | Confident | 68.3 | Low | 7 Ų | 7 | 65.7 Ų | 65.7 | 5% | 0.047 | 37% | 0.367 | C | S | . | . | trans | -63 | 160.7 | 162.6 | -66.1 | 0 | 0 | 0 | 0 | 111 | T165 G166 E167 L169 C181 | C163-T165 WeakPolarHBondContact CB-OG1 3.29Å; C163-T165 PolarHBondContact O-N 2.89Å; C163-G166 WeakPolarHBondContact O-CA 3.39Å; C163-G166 PolarHBondContact O-N 2.96Å; C163-E167 HydrophobicContact CB-CB 4.25Å; C163-E167 PolarHBondContact N-O 3.31Å; C163-L169 WeakPolarHBondContact SG-CD1 3.34Å; C163-L169 VanDerWaalsContact SG-CG 3.52Å; C163-C181 WeakPolarHBondContact CA-SG 3.38Å; C163-C181 HydrophobicContact CB-CB 3.74Å; C163-C181 WeakPolarHBondContact CB-SG 3.44Å; C163-C181 WeakPolarHBondContact SG-CA 3.14Å; C163-C181 WeakPolarHBondContact SG-CB 3.4Å; C163-C181 CovalentContact SG-SG 2.03Å; C163-C181 PolarHBondContact SG-SG 2.76Å | ||
| 164 | S | 69.6 | Low | 68.9 | Low | 81 Ų | 81 | 61.8 Ų | 61.8 | 57% | 0.566 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -18.7 | 170.4 | -14.4 | 0 | 0 | 0 | 0 | 112.7 | V151 G166 D183 A185 | V151-S164 WeakPolarHBondContact CG1-O 3.45Å; S164-G166 VanDerWaalsContact C-N 3.3Å; S164-D183 WeakPolarHBondContact CB-OD2 3.29Å; S164-D183 PolarHBondContact OG-OD2 3.26Å; S164-A185 WeakPolarHBondContact OG-CB 3.29Å |
| 165 | T | 61.4 | Low | 69.3 | Low | 17 Ų | 17 | 59.7 Ų | 59.7 | 10% | 0.104 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -9.4 | 168.8 | 58.9 | 0 | 0 | 0 | 0 | 113 | V73 C163 S182 D183 | V73-T165 WeakPolarHBondContact CG1-O 3.48Å; C163-T165 WeakPolarHBondContact CB-OG1 3.29Å; C163-T165 PolarHBondContact O-N 2.89Å; T165-S182 PolarHBondContact OG1-OG 3.37Å; T165-D183 HydrophobicContact CG2-CB 3.96Å |
| 166 | G | 64.6 | Low | 69.3 | Low | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 30% | 0.304 | C | S | . | . | trans | 90 | -1.5 | 179 | 0 | 0 | 0 | 0 | 0 | 115 | R154 C163 S164 | R154-G166 WeakPolarHBondContact CD-O 3.49Å; R154-G166 PolarHBondContact NE-O 3.26Å; R154-G166 VanDerWaalsContact NH1-C 3.28Å; R154-G166 PolarHBondContact NH1-O 3.37Å; C163-G166 WeakPolarHBondContact O-CA 3.39Å; C163-G166 PolarHBondContact O-N 2.96Å; S164-G166 VanDerWaalsContact C-N 3.3Å | ||
| 167 | E | 69.9 | Low | 68.8 | Low | 55 Ų | 55 | 55.4 Ų | 55.4 | 26% | 0.257 | 32% | 0.323 | S | S | . | . | trans | -61.9 | 140 | 171.7 | -60.9 | -172.1 | 118 | 0 | 0 | 110.5 | A162 C163 S182 | A162-E167 CarbonylContact C-O 3.35Å; A162-E167 WeakPolarHBondContact CA-O 3.4Å; C163-E167 HydrophobicContact CB-CB 4.25Å; C163-E167 PolarHBondContact N-O 3.31Å; E167-S182 PolarHBondContact OE2-OG 2.91Å | ||
| 168 | C | 73.7 | Confident | 68.1 | Low | 50 Ų | 50 | 58.9 Ų | 58.9 | 34% | 0.338 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 105 | 177.3 | -71.5 | 0 | 0 | 0 | 0 | 108.9 | C156 Q160 V161 | C156-C168 WeakPolarHBondContact CA-SG 3.18Å; C156-C168 HydrophobicContact CB-CB 3.82Å; C156-C168 WeakPolarHBondContact CB-SG 3.1Å; C156-C168 VanDerWaalsContact SG-CA 3.52Å; C156-C168 WeakPolarHBondContact SG-CB 3.35Å; C156-C168 CovalentContact SG-SG 2.05Å; C156-C168 PolarHBondContact SG-SG 3.38Å; Q160-C168 HydrophobicContact CB-CB 4.3Å; V161-C168 CarbonylContact O-C 3.59Å; V161-C168 WeakPolarHBondContact O-CA 3.45Å |
| 169 | L | 72.9 | Confident | 68.2 | Low | 12 Ų | 12 | 56.7 Ų | 56.7 | 6% | 0.063 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 157.6 | 175.6 | -55.6 | -177.5 | 0 | 0 | 0 | 110.4 | Q160 V161 C163 W173 D180 C181 D186 | Q160-L169 CarbonylContact C-O 3.59Å; Q160-L169 WeakPolarHBondContact CA-O 3.39Å; Q160-L169 WeakPolarHBondContact CB-O 3.16Å; V161-L169 PolarHBondContact N-O 2.76Å; V161-L169 PolarHBondContact O-N 3.23Å; C163-L169 WeakPolarHBondContact SG-CD1 3.34Å; C163-L169 VanDerWaalsContact SG-CG 3.52Å; L169-W173 HydrophobicContact CB-CB 4.16Å; L169-W173 HydrophobicContact CB-CE3 4.1Å; L169-W173 HydrophobicContact CD2-CE3 3.84Å; L169-W173 HydrophobicContact CD2-CZ3 4.24Å; L169-W173 HydrophobicContact CG-CE3 4.46Å; L169-D180 HydrophobicContact CD1-CB 3.72Å; L169-D180 HydrophobicContact CD2-CB 4.09Å; L169-C181 HydrophobicContact CD1-CB 4.48Å; L169-C181 WeakPolarHBondContact CD1-SG 3.24Å; L169-D186 HydrophobicContact CD1-CB 3.86Å |
| 170 | Q | 72.3 | Confident | 68.2 | Low | 70 Ų | 70 | 54 Ų | 54 | 33% | 0.327 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 147.5 | 168.3 | -67.1 | -65.6 | -31.7 | 0 | 0 | 109.1 | N159 Q172 W173 | N159-Q170 PolarHBondContact O-OE1 3.15Å; Q170-Q172 HydrophobicContact CB-CG 3.9Å; Q170-Q172 PolarHBondContact O-N 2.99Å; Q170-W173 HydrophobicContact CB-CD2 4.3Å; Q170-W173 HydrophobicContact CB-CG 4.32Å; Q170-W173 WeakPolarHBondContact O-CB 3.5Å; Q170-W173 PolarHBondContact O-N 3.35Å |
| 171 | Q | 67.1 | Low | 68.1 | Low | 76 Ų | 76 | 50.8 Ų | 50.8 | 36% | 0.355 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -23.6 | 176.9 | -95.7 | -179.3 | -3.9 | 0 | 0 | 114.6 | N159 V161 W173 Y195 | N159-Q171 WeakPolarHBondContact O-CB 3.39Å; N159-Q171 PolarHBondContact O-N 3.12Å; V161-Q171 HydrophobicContact CG2-CG 3.71Å; Q171-W173 VanDerWaalsContact C-N 3.28Å; Q171-Y195 WeakPolarHBondContact CB-OH 3.39Å; Q171-Y195 WeakPolarHBondContact O-CE1 3.05Å; Q171-Y195 WeakPolarHBondContact O-CE2 3.05Å |
| 172 | Q | 65.9 | Low | 68 | Low | 123 Ų | 123 | 51.3 Ų | 51.3 | 58% | 0.575 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -9.2 | 177 | 74.9 | -164 | 1.5 | 0 | 0 | 114.3 | Q170 | Q170-Q172 HydrophobicContact CB-CG 3.9Å; Q170-Q172 PolarHBondContact O-N 2.99Å |
| 173 | W | 70.4 | Confident | 67.7 | Low | 108 Ų | 108 | 51.9 Ų | 51.9 | 41% | 0.409 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -104.7 | 32.3 | 179.7 | -60.7 | -11.4 | 0 | 0 | 0 | 110.5 | L169 Q170 Q171 D180 | L169-W173 HydrophobicContact CB-CB 4.16Å; L169-W173 HydrophobicContact CB-CE3 4.1Å; L169-W173 HydrophobicContact CD2-CE3 3.84Å; L169-W173 HydrophobicContact CD2-CZ3 4.24Å; L169-W173 HydrophobicContact CG-CE3 4.46Å; Q170-W173 HydrophobicContact CB-CD2 4.3Å; Q170-W173 HydrophobicContact CB-CG 4.32Å; Q170-W173 WeakPolarHBondContact O-CB 3.5Å; Q170-W173 PolarHBondContact O-N 3.35Å; Q171-W173 VanDerWaalsContact C-N 3.28Å; W173-D180 HydrophobicContact CB-CB 4.42Å; W173-D180 WeakPolarHBondContact CB-OD2 3.35Å; W173-D180 HydrophobicContact CE3-CB 4.41Å |
| 174 | L | 71.1 | Confident | 67.4 | Low | 51 Ų | 51 | 52.1 Ų | 52.1 | 27% | 0.267 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -122 | 119.5 | 178.4 | -172.2 | 80.5 | 0 | 0 | 0 | 107.3 | V161 D176 D186 | V161-L174 HydrophobicContact CG1-CD1 4.17Å; L174-D176 VanDerWaalsContact C-N 3.26Å; L174-D176 PolarHBondContact O-N 3.23Å; L174-D186 HydrophobicContact CD1-CB 4.13Å; L174-D186 WeakPolarHBondContact CD1-O 3.2Å |
| 175 | C | 69.5 | Low | 67.8 | Low | 13 Ų | 13 | 49.1 Ų | 49.1 | 9% | 0.088 | 27% | 0.271 | C | S | . | . | S | Bend | trans | 59.1 | 37.7 | -176.1 | -60.4 | 0 | 0 | 0 | 0 | 112.9 | D186 E187 C190 | C175-D186 PolarHBondContact N-O 3.33Å; C175-E187 VanDerWaalsContact C-OE1 3.26Å; C175-E187 WeakPolarHBondContact CA-OE1 3.1Å; C175-E187 PolarHBondContact N-OE1 3.04Å; C175-C190 VanDerWaalsContact CA-SG 3.52Å; C175-C190 HydrophobicContact CB-CB 3.61Å; C175-C190 WeakPolarHBondContact CB-SG 3.44Å; C175-C190 WeakPolarHBondContact SG-CA 2.99Å; C175-C190 WeakPolarHBondContact SG-CB 3.33Å; C175-C190 CovalentContact SG-SG 2.02Å; C175-C190 PolarHBondContact SG-SG 3.49Å |
| 176 | D | 61.5 | Low | 68.5 | Low | 18 Ų | 18 | 48.5 Ų | 48.5 | 10% | 0.096 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -95.7 | 3.4 | 178.1 | 81 | -11 | 0 | 0 | 0 | 112.6 | L174 W178 E187 F198 | L174-D176 VanDerWaalsContact C-N 3.26Å; L174-D176 PolarHBondContact O-N 3.23Å; D176-W178 WeakPolarHBondContact OD1-CB 3.4Å; D176-W178 PolarHBondContact OD1-N 3.46Å; D176-E187 PolarHBondContact N-OE1 2.83Å; D176-F198 HydrophobicContact CB-CD2 4.41Å; D176-F198 WeakPolarHBondContact O-CB 3.31Å |
| 177 | G | 59.7 | Low | 69.2 | Low | 58 Ų | 58 | 51.2 Ų | 51.2 | 60% | 0.598 | 28% | 0.28 | S | S | * | . | S | Bend | trans | 87.4 | 2.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | E187 | G177-E187 WeakPolarHBondContact CA-OE2 3.39Å; G177-E187 VanDerWaalsContact N-CD 3.25Å; G177-E187 PolarHBondContact N-OE1 3.15Å; G177-E187 PolarHBondContact N-OE2 2.89Å |
| 178 | W | 57.3 | Low | 69.7 | Low | 102 Ų | 102 | 54.7 Ų | 54.7 | 39% | 0.386 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -116.5 | 142.6 | 176.8 | -59.7 | 89.9 | 0 | 0 | 0 | 111 | D176 D180 D186 E187 G269 | D176-W178 WeakPolarHBondContact OD1-CB 3.4Å; D176-W178 PolarHBondContact OD1-N 3.46Å; W178-D180 VanDerWaalsContact C-N 3.31Å; W178-D180 PolarHBondContact O-N 2.83Å; W178-D180 VanDerWaalsContact O-N 3.09Å; W178-D186 VanDerWaalsContact O-OD2 3.06Å; W178-E187 WeakPolarHBondContact O-CG 2.98Å; W178-G269 VanDerWaalsContact CH2-CA 3.44Å |
| 179 | S | 66.1 | Low | 69.6 | Low | 82 Ų | 82 | 56 Ų | 56 | 57% | 0.573 | 32% | 0.317 | S | S | * | . | trans | -82.6 | 79.7 | 172.9 | -178.8 | 0 | 0 | 0 | 0 | 109 | C181 G184 | S179-C181 PolarHBondContact OG-O 3.43Å; S179-G184 WeakPolarHBondContact OG-CA 2.81Å; S179-G184 PolarHBondContact OG-N 2.95Å | ||
| 180 | D | 67.8 | Low | 69.5 | Low | 46 Ų | 46 | 57.6 Ų | 57.6 | 25% | 0.246 | 33% | 0.329 | C | S | . | . | trans | -78.2 | -26 | 173.9 | -66.3 | -50.4 | 0 | 0 | 0 | 111.7 | L169 W173 W178 D186 | L169-D180 HydrophobicContact CD1-CB 3.72Å; L169-D180 HydrophobicContact CD2-CB 4.09Å; W173-D180 HydrophobicContact CB-CB 4.42Å; W173-D180 WeakPolarHBondContact CB-OD2 3.35Å; W173-D180 HydrophobicContact CE3-CB 4.41Å; W178-D180 VanDerWaalsContact C-N 3.31Å; W178-D180 PolarHBondContact O-N 2.83Å; W178-D180 VanDerWaalsContact O-N 3.09Å; D180-D186 VanDerWaalsContact CA-OD2 3.28Å; D180-D186 WeakPolarHBondContact CA-OD2 3.19Å; D180-D186 WeakPolarHBondContact CB-OD2 3.3Å; D180-D186 PolarHBondContact N-OD2 3.12Å | ||
| 181 | C | 70.6 | Confident | 69.2 | Low | 3 Ų | 3 | 58.9 Ų | 58.9 | 2% | 0.02 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -74.7 | 140.5 | 162.8 | -65.9 | 0 | 0 | 0 | 0 | 110.2 | C163 L169 S179 D183 G184 A185 D186 | C163-C181 WeakPolarHBondContact CA-SG 3.38Å; C163-C181 HydrophobicContact CB-CB 3.74Å; C163-C181 WeakPolarHBondContact CB-SG 3.44Å; C163-C181 WeakPolarHBondContact SG-CA 3.14Å; C163-C181 WeakPolarHBondContact SG-CB 3.4Å; C163-C181 CovalentContact SG-SG 2.03Å; C163-C181 PolarHBondContact SG-SG 2.76Å; L169-C181 HydrophobicContact CD1-CB 4.48Å; L169-C181 WeakPolarHBondContact CD1-SG 3.24Å; S179-C181 PolarHBondContact OG-O 3.43Å; C181-D183 VanDerWaalsContact CB-OD1 3.24Å; C181-D183 WeakPolarHBondContact CB-OD1 3.2Å; C181-D183 PolarHBondContact O-N 2.69Å; C181-D183 VanDerWaalsContact O-N 3.12Å; C181-G184 PolarHBondContact O-N 2.88Å; C181-A185 HydrophobicContact CB-CB 4.4Å; C181-D186 HydrophobicContact CB-CB 4.31Å; C181-D186 WeakPolarHBondContact CB-OD1 3.24Å; C181-D186 VanDerWaalsContact N-CG 3.29Å; C181-D186 PolarHBondContact N-OD1 2.9Å; C181-D186 VanDerWaalsContact N-OD1 3.14Å; C181-D186 PolarHBondContact N-OD2 3.07Å; C181-D186 VanDerWaalsContact N-OD2 3.09Å; C181-D186 VanDerWaalsContact SG-CB 3.56Å |
| 182 | S | 69.3 | Low | 68.9 | Low | 55 Ų | 55 | 62.8 Ų | 62.8 | 39% | 0.385 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -21.3 | 175.5 | 16 | 0 | 0 | 0 | 0 | 113.5 | T165 E167 | T165-S182 PolarHBondContact OG1-OG 3.37Å; E167-S182 PolarHBondContact OE2-OG 2.91Å |
| 183 | D | 66.9 | Low | 68.6 | Low | 63 Ų | 63 | 58.9 Ų | 58.9 | 34% | 0.337 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | 4.5 | 172.6 | 66.6 | -24.6 | 0 | 0 | 0 | 114 | S164 T165 C181 A185 Q188 | S164-D183 WeakPolarHBondContact CB-OD2 3.29Å; S164-D183 PolarHBondContact OG-OD2 3.26Å; T165-D183 HydrophobicContact CG2-CB 3.96Å; C181-D183 VanDerWaalsContact CB-OD1 3.24Å; C181-D183 WeakPolarHBondContact CB-OD1 3.2Å; C181-D183 PolarHBondContact O-N 2.69Å; C181-D183 VanDerWaalsContact O-N 3.12Å; D183-A185 PolarHBondContact O-N 2.93Å; D183-A185 VanDerWaalsContact OD1-CB 3.3Å; D183-A185 WeakPolarHBondContact OD1-CB 3.34Å; D183-A185 PolarHBondContact OD1-N 3.3Å; D183-A185 WeakPolarHBondContact OD2-CB 3.32Å; D183-Q188 PolarHBondContact O-NE2 3.29Å |
| 184 | G | 68.4 | Low | 67.8 | Low | 11 Ų | 11 | 60.1 Ų | 60.1 | 11% | 0.113 | 38% | 0.381 | C | S | . | . | trans | 61.3 | 23.6 | -177 | 0 | 0 | 0 | 0 | 0 | 114.4 | S179 C181 D186 E187 Q188 | S179-G184 WeakPolarHBondContact OG-CA 2.81Å; S179-G184 PolarHBondContact OG-N 2.95Å; C181-G184 PolarHBondContact O-N 2.88Å; G184-D186 VanDerWaalsContact C-N 3.26Å; G184-D186 VanDerWaalsContact CA-OD1 3.32Å; G184-D186 WeakPolarHBondContact CA-OD1 3.34Å; G184-D186 PolarHBondContact O-N 2.79Å; G184-E187 PolarHBondContact O-N 2.04Å; G184-Q188 VanDerWaalsContact C-NE2 3.33Å; G184-Q188 WeakPolarHBondContact O-CG 3.49Å; G184-Q188 PolarHBondContact O-NE2 2.99Å | ||
| 185 | A | 78.3 | Confident | 66.8 | Low | 19 Ų | 19 | 61.3 Ų | 61.3 | 16% | 0.157 | 38% | 0.383 | C | S | . | . | G | 310 helix | trans | -68.1 | -25.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | S164 C181 D183 E187 Q188 | S164-A185 WeakPolarHBondContact OG-CB 3.29Å; C181-A185 HydrophobicContact CB-CB 4.4Å; D183-A185 PolarHBondContact O-N 2.93Å; D183-A185 VanDerWaalsContact OD1-CB 3.3Å; D183-A185 WeakPolarHBondContact OD1-CB 3.34Å; D183-A185 PolarHBondContact OD1-N 3.3Å; D183-A185 WeakPolarHBondContact OD2-CB 3.32Å; A185-E187 PolarHBondContact O-N 3.35Å; A185-Q188 PolarHBondContact O-N 2.9Å |
| 186 | D | 75.9 | Confident | 65.7 | Low | 3 Ų | 3 | 65.3 Ų | 65.3 | 2% | 0.016 | 41% | 0.408 | C | S | . | . | G | 310 helix | trans | -60.5 | -25.9 | 172.5 | 51.7 | -33.3 | 0 | 0 | 0 | 113.9 | L169 L174 C175 W178 D180 C181 G184 | L169-D186 HydrophobicContact CD1-CB 3.86Å; L174-D186 HydrophobicContact CD1-CB 4.13Å; L174-D186 WeakPolarHBondContact CD1-O 3.2Å; C175-D186 PolarHBondContact N-O 3.33Å; W178-D186 VanDerWaalsContact O-OD2 3.06Å; D180-D186 VanDerWaalsContact CA-OD2 3.28Å; D180-D186 WeakPolarHBondContact CA-OD2 3.19Å; D180-D186 WeakPolarHBondContact CB-OD2 3.3Å; D180-D186 PolarHBondContact N-OD2 3.12Å; C181-D186 HydrophobicContact CB-CB 4.31Å; C181-D186 WeakPolarHBondContact CB-OD1 3.24Å; C181-D186 VanDerWaalsContact N-CG 3.29Å; C181-D186 PolarHBondContact N-OD1 2.9Å; C181-D186 VanDerWaalsContact N-OD1 3.14Å; C181-D186 PolarHBondContact N-OD2 3.07Å; C181-D186 VanDerWaalsContact N-OD2 3.09Å; C181-D186 VanDerWaalsContact SG-CB 3.56Å; G184-D186 VanDerWaalsContact C-N 3.26Å; G184-D186 VanDerWaalsContact CA-OD1 3.32Å; G184-D186 WeakPolarHBondContact CA-OD1 3.34Å; G184-D186 PolarHBondContact O-N 2.79Å |
| 187 | E | 79.4 | Confident | 64.9 | Low | 57 Ų | 57 | 69.5 Ų | 69.5 | 27% | 0.266 | 44% | 0.436 | S | S | . | . | G | 310 helix | trans | -98.8 | 6.1 | 179 | -65.3 | -58.3 | 120.6 | 0 | 0 | 113.6 | C175 D176 G177 W178 G184 A185 C190 | C175-E187 VanDerWaalsContact C-OE1 3.26Å; C175-E187 WeakPolarHBondContact CA-OE1 3.1Å; C175-E187 PolarHBondContact N-OE1 3.04Å; D176-E187 PolarHBondContact N-OE1 2.83Å; G177-E187 WeakPolarHBondContact CA-OE2 3.39Å; G177-E187 VanDerWaalsContact N-CD 3.25Å; G177-E187 PolarHBondContact N-OE1 3.15Å; G177-E187 PolarHBondContact N-OE2 2.89Å; W178-E187 WeakPolarHBondContact O-CG 2.98Å; G184-E187 PolarHBondContact O-N 2.04Å; A185-E187 PolarHBondContact O-N 3.35Å; E187-C190 VanDerWaalsContact C-SG 3.57Å; E187-C190 PolarHBondContact O-SG 3.02Å; E187-C190 VanDerWaalsContact O-SG 3.41Å |
| 188 | Q | 78.7 | Confident | 64.1 | Low | 129 Ų | 129 | 71.8 Ų | 71.8 | 60% | 0.603 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -98 | 128 | -177.2 | -67.6 | 165.6 | 36.6 | 0 | 0 | 110.7 | D183 G184 A185 | D183-Q188 PolarHBondContact O-NE2 3.29Å; G184-Q188 VanDerWaalsContact C-NE2 3.33Å; G184-Q188 WeakPolarHBondContact O-CG 3.49Å; G184-Q188 PolarHBondContact O-NE2 2.99Å; A185-Q188 PolarHBondContact O-N 2.9Å |
| 189 | G | 72.6 | Confident | 63.6 | Low | 76 Ų | 76 | 72 Ų | 72 | 78% | 0.784 | 44% | 0.443 | S | S | * | . | S | Bend | trans | 84.8 | 23.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | A191 | G189-A191 PolarHBondContact O-N 3.13Š|
| 190 | C | 69.9 | Low | 63 | Low | 47 Ų | 47 | 69.5 Ų | 69.5 | 32% | 0.318 | 43% | 0.425 | S | S | . | . | G | 310 helix | trans | -68.5 | 10.1 | -177.2 | -57.6 | 0 | 0 | 0 | 0 | 116.7 | C175 E187 N192 S193 | C175-C190 VanDerWaalsContact CA-SG 3.52Å; C175-C190 HydrophobicContact CB-CB 3.61Å; C175-C190 WeakPolarHBondContact CB-SG 3.44Å; C175-C190 WeakPolarHBondContact SG-CA 2.99Å; C175-C190 WeakPolarHBondContact SG-CB 3.33Å; C175-C190 CovalentContact SG-SG 2.02Å; C175-C190 PolarHBondContact SG-SG 3.49Å; E187-C190 VanDerWaalsContact C-SG 3.57Å; E187-C190 PolarHBondContact O-SG 3.02Å; E187-C190 VanDerWaalsContact O-SG 3.41Å; C190-N192 PolarHBondContact O-N 3Å; C190-N192 VanDerWaalsContact O-N 3.11Å; C190-S193 PolarHBondContact O-N 2.76Å |
| 191 | A | 66.9 | Low | 62.9 | Low | 96 Ų | 96 | 71.2 Ų | 71.2 | 79% | 0.793 | 44% | 0.441 | S | S | * | . | G | 310 helix | trans | -62.4 | -21.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | G189 | G189-A191 PolarHBondContact O-N 3.13Š|
| 192 | N | 60.9 | Low | 63.3 | Low | 159 Ų | 159 | 73.5 Ų | 73.5 | 85% | 0.85 | 46% | 0.457 | S | S | * | . | G | 310 helix | trans | -124.8 | 16.9 | -179 | -74.7 | -21.2 | 0 | 0 | 0 | 113.1 | C190 T194 | C190-N192 PolarHBondContact O-N 3Å; C190-N192 VanDerWaalsContact O-N 3.11Å; N192-T194 PolarHBondContact O-N 2.93Å |
| 193 | S | 59.3 | Low | 64 | Low | 40 Ų | 40 | 74.2 Ų | 74.2 | 28% | 0.28 | 45% | 0.454 | S | S | . | . | trans | -67.2 | 132.4 | -179.3 | -168.6 | 0 | 0 | 0 | 0 | 110.9 | C190 Y195 | C190-S193 PolarHBondContact O-N 2.76Å; S193-Y195 VanDerWaalsContact C-N 3.3Å; S193-Y195 WeakPolarHBondContact OG-CB 3.37Å; S193-Y195 PolarHBondContact OG-N 3.43Å | ||
| 194 | T | 53.1 | Low | 64.9 | Low | 135 Ų | 135 | 76.5 Ų | 76.5 | 83% | 0.828 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -82.9 | -12 | 169.1 | 48.5 | 0 | 0 | 0 | 0 | 112.2 | N192 | N192-T194 PolarHBondContact O-N 2.93Š|
| 195 | Y | 50.8 | Low | 66 | Low | 76 Ų | 76 | 76.4 Ų | 76.4 | 30% | 0.298 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -67.5 | 124.6 | 165.6 | -63.4 | -77.8 | 0 | 0 | 0 | 106.2 | Q171 S193 | Q171-Y195 WeakPolarHBondContact CB-OH 3.39Å; Q171-Y195 WeakPolarHBondContact O-CE1 3.05Å; Q171-Y195 WeakPolarHBondContact O-CE2 3.05Å; S193-Y195 VanDerWaalsContact C-N 3.3Å; S193-Y195 WeakPolarHBondContact OG-CB 3.37Å; S193-Y195 PolarHBondContact OG-N 3.43Å |
| 196 | P | 46.3 | Very low | 66.4 | Low | 97 Ų | 97 | 82.7 Ų | 82.7 | 63% | 0.63 | 49% | 0.488 | S | S | * | . | P | Polyproline II helix | trans | -52.9 | 136.6 | 174.4 | 23.5 | -30.6 | 0 | 0 | 0 | 106.6 | F198 | P196-F198 PolarHBondContact O-N 2.91Š|
| 197 | P | 44.2 | Very low | 66.9 | Low | 105 Ų | 105 | 83 Ų | 83 | 68% | 0.682 | 49% | 0.49 | S | S | * | . | P | Polyproline II helix | trans | -49 | 123.6 | 162.4 | 23.7 | -31.3 | 0 | 0 | 0 | 104.2 | T199 | P197-T199 PolarHBondContact O-N 2.85Š|
| 198 | F | 43.6 | Very low | 67.2 | Low | 107 Ų | 107 | 88.2 Ų | 88.2 | 47% | 0.469 | 51% | 0.514 | S | S | . | . | trans | -62.3 | 95 | 176.4 | -139 | -86 | 0 | 0 | 0 | 104.1 | D176 P196 S200 | D176-F198 HydrophobicContact CB-CD2 4.41Å; D176-F198 WeakPolarHBondContact O-CB 3.31Å; P196-F198 PolarHBondContact O-N 2.91Å; F198-S200 PolarHBondContact O-N 3.25Å | ||
| 199 | T | 47.5 | Very low | 67.4 | Low | 105 Ų | 105 | 84.6 Ų | 84.6 | 64% | 0.644 | 50% | 0.498 | S | S | * | . | trans | -58.7 | 105.3 | 149.6 | 56.3 | 0 | 0 | 0 | 0 | 100.8 | P197 S201 | P197-T199 PolarHBondContact O-N 2.85Å; T199-S201 PolarHBondContact O-N 3.12Å | ||
| 200 | S | 52.3 | Low | 68.2 | Low | 30 Ų | 30 | 81 Ų | 81 | 21% | 0.21 | 46% | 0.461 | C | S | . | . | trans | -56.8 | 81 | 161.9 | 56.9 | 0 | 0 | 0 | 0 | 104.9 | F198 C202 | F198-S200 PolarHBondContact O-N 3.25Å; S200-C202 PolarHBondContact O-N 3.42Å | ||
| 201 | S | 65.4 | Low | 69.1 | Low | 83 Ų | 83 | 83.8 Ų | 83.8 | 58% | 0.58 | 47% | 0.469 | S | S | * | . | trans | -78.8 | 88.2 | -175.4 | 58.4 | 0 | 0 | 0 | 0 | 102.7 | T199 E203 | T199-S201 PolarHBondContact O-N 3.12Å; S201-E203 PolarHBondContact O-N 3.23Å | ||
| 202 | C | 79.8 | Confident | 70 | Confident | 51 Ų | 51 | 82.2 Ų | 82.2 | 35% | 0.345 | 46% | 0.462 | S | S | . | . | trans | -33.3 | 112.2 | 165.3 | -63.9 | 0 | 0 | 0 | 0 | 108.4 | S200 F217 T218 C264 | S200-C202 PolarHBondContact O-N 3.42Å; C202-F217 HydrophobicContact CB-CB 3.91Å; C202-F217 HydrophobicContact CB-CD1 4.14Å; C202-F217 HydrophobicContact CB-CG 4.22Å; C202-T218 CarbonylContact C-O 3.47Å; C202-T218 WeakPolarHBondContact CA-O 3.32Å; C202-C264 WeakPolarHBondContact CA-SG 3.48Å; C202-C264 HydrophobicContact CB-CB 3.67Å; C202-C264 WeakPolarHBondContact CB-SG 3.34Å; C202-C264 WeakPolarHBondContact SG-CB 3.36Å; C202-C264 CovalentContact SG-SG 2.03Å; C202-C264 PolarHBondContact SG-SG 3.35Å | ||
| 203 | E | 83.6 | Confident | 71.3 | Confident | 69 Ų | 69 | 75.3 Ų | 75.3 | 32% | 0.322 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 149.1 | -179.2 | 56 | 174.8 | 149.6 | 0 | 0 | 109 | S201 F217 T218 F220 Q230 | S201-E203 PolarHBondContact O-N 3.23Å; E203-F217 CarbonylContact O-C 3.53Å; E203-F217 VanDerWaalsContact O-CA 3.24Å; E203-F217 WeakPolarHBondContact O-CA 3.49Å; E203-T218 HydrophobicContact CG-CG2 3.89Å; E203-T218 WeakPolarHBondContact CG-O 3.45Å; E203-T218 PolarHBondContact N-O 3.32Å; E203-T218 PolarHBondContact O-N 3.17Å; E203-F220 VanDerWaalsContact OE1-CD2 3.26Å; E203-F220 WeakPolarHBondContact OE1-CD2 3.42Å; E203-Q230 PolarHBondContact OE2-NE2 3.45Å |
| 204 | I | 86.1 | Confident | 72.7 | Confident | 111 Ų | 111 | 77.3 Ų | 77.3 | 57% | 0.569 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 140.5 | 179.8 | -63.5 | 171.8 | 0 | 0 | 0 | 108.5 | E206 N216 F217 Q230 | I204-E206 PolarHBondContact O-N 3.5Å; I204-E206 VanDerWaalsContact O-N 3.11Å; I204-N216 WeakPolarHBondContact CA-O 3.48Å; I204-F217 HydrophobicContact CD1-CE1 4.46Å; I204-F217 HydrophobicContact CG1-CD1 4.02Å; I204-F217 HydrophobicContact CG1-CE1 3.58Å; I204-F217 HydrophobicContact CG1-CZ 4.41Å; I204-Q230 PolarHBondContact O-NE2 3.3Å |
| 205 | I | 91 | Very high | 74.5 | Confident | 9 Ų | 9 | 71.6 Ų | 71.6 | 5% | 0.046 | 40% | 0.403 | C | S | . | . | trans | -67 | 109.8 | 174.8 | -62.2 | 168.5 | 0 | 0 | 0 | 109.8 | V207 C210 L213 Y215 N216 T218 L261 | I205-V207 HydrophobicContact CG2-CB 4.39Å; I205-C210 HydrophobicContact CG2-CB 4.33Å; I205-L213 HydrophobicContact CD1-CD1 4.25Å; I205-Y215 HydrophobicContact CD1-CD2 3.86Å; I205-Y215 HydrophobicContact CD1-CE2 3.65Å; I205-N216 PolarHBondContact N-O 2.98Å; I205-T218 HydrophobicContact CG1-CG2 3.96Å; I205-L261 HydrophobicContact CG2-CD1 4.04Å | ||
| 206 | E | 86.2 | Confident | 76.4 | Confident | 152 Ų | 152 | 73 Ų | 73 | 71% | 0.71 | 42% | 0.415 | S | S | * | . | trans | -90 | -15.3 | 179 | -61.5 | -167.5 | 159.6 | 0 | 0 | 112.4 | I204 E208 | I204-E206 PolarHBondContact O-N 3.5Å; I204-E206 VanDerWaalsContact O-N 3.11Å; E206-E208 PolarHBondContact O-N 2.95Å; E206-E208 VanDerWaalsContact O-N 3.14Å | ||
| 207 | V | 87.6 | Confident | 78.4 | Confident | 9 Ų | 9 | 73.1 Ų | 73.1 | 6% | 0.055 | 41% | 0.406 | C | S | . | . | trans | -73.9 | 104.8 | -176.4 | -174.2 | 0 | 0 | 0 | 0 | 110.9 | I205 M209 C210 Q211 Q230 A234 L237 L261 | I205-V207 HydrophobicContact CG2-CB 4.39Å; V207-M209 VanDerWaalsContact C-N 3.27Å; V207-M209 HydrophobicContact CG1-CG 3.89Å; V207-M209 PolarHBondContact O-N 2.87Å; V207-M209 VanDerWaalsContact O-N 3.09Å; V207-C210 HydrophobicContact CB-CB 4.49Å; V207-C210 CarbonylContact O-C 3.59Å; V207-C210 PolarHBondContact O-N 3.45Å; V207-Q211 PolarHBondContact O-N 3.5Å; V207-Q230 HydrophobicContact CG2-CB 4.24Å; V207-A234 HydrophobicContact CG1-CB 3.96Å; V207-A234 HydrophobicContact CG2-CB 3.93Å; V207-L237 HydrophobicContact CG1-CD1 4.08Å; V207-L261 HydrophobicContact CB-CD1 3.77Å; V207-L261 HydrophobicContact CG1-CD1 4.25Å; V207-L261 HydrophobicContact CG2-CD1 3.87Å; V207-L261 HydrophobicContact CG2-CD2 3.8Å; V207-L261 HydrophobicContact CG2-CG 4.44Å | ||
| 208 | E | 84.9 | Confident | 80.6 | Confident | 166 Ų | 166 | 68.1 Ų | 68.1 | 78% | 0.776 | 37% | 0.374 | S | S | * | . | G | 310 helix | trans | -47 | -43.6 | -175.3 | -66.3 | -178.6 | 169.9 | 0 | 0 | 114.3 | E206 C210 Q211 | E206-E208 PolarHBondContact O-N 2.95Å; E206-E208 VanDerWaalsContact O-N 3.14Å; E208-C210 PolarHBondContact O-N 2.66Å; E208-Q211 PolarHBondContact O-N 3.19Å |
| 209 | M | 83.6 | Confident | 82.6 | Confident | 53 Ų | 53 | 63.5 Ų | 63.5 | 26% | 0.261 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -71.3 | -12.8 | -176.8 | 69.3 | 179.8 | 82.9 | 0 | 0 | 114.5 | V207 L237 M244 | V207-M209 VanDerWaalsContact C-N 3.27Å; V207-M209 HydrophobicContact CG1-CG 3.89Å; V207-M209 PolarHBondContact O-N 2.87Å; V207-M209 VanDerWaalsContact O-N 3.09Å; M209-L237 HydrophobicContact CE-CB 4.12Å; M209-L237 HydrophobicContact SD-CB 3.58Å; M209-L237 VanDerWaalsContact SD-CB 3.58Å; M209-M244 HydrophobicContact CB-CE 4.17Å; M209-M244 HydrophobicContact CG-CE 4.01Å; M209-M244 HydrophobicContact SD-CE 3.68Å |
| 210 | C | 89.6 | Confident | 84.1 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.007 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -115.9 | 15.3 | 179.8 | -63.7 | 0 | 0 | 0 | 0 | 112.5 | I205 V207 E208 L213 C257 L261 | I205-C210 HydrophobicContact CG2-CB 4.33Å; V207-C210 HydrophobicContact CB-CB 4.49Å; V207-C210 CarbonylContact O-C 3.59Å; V207-C210 PolarHBondContact O-N 3.45Å; E208-C210 PolarHBondContact O-N 2.66Å; C210-L213 WeakPolarHBondContact O-CG 3.36Å; C210-C257 WeakPolarHBondContact CA-SG 3.46Å; C210-C257 HydrophobicContact CB-CB 3.58Å; C210-C257 WeakPolarHBondContact CB-SG 3.34Å; C210-C257 VanDerWaalsContact SG-CA 3.56Å; C210-C257 WeakPolarHBondContact SG-CB 3.37Å; C210-C257 CovalentContact SG-SG 2.03Å; C210-C257 PolarHBondContact SG-SG 3.27Å; C210-L261 HydrophobicContact CB-CD1 3.34Å; C210-L261 VanDerWaalsContact SG-CD1 3.58Å |
| 211 | Q | 88.1 | Confident | 85.3 | Confident | 105 Ų | 105 | 61.2 Ų | 61.2 | 49% | 0.491 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | 146.2 | 169.5 | -68.7 | 177.4 | -13.2 | 0 | 0 | 110.7 | V207 E208 | V207-Q211 PolarHBondContact O-N 3.5Å; E208-Q211 PolarHBondContact O-N 3.19Å |
| 212 | G | 85.3 | Confident | 86 | Confident | 63 Ų | 63 | 57.3 Ų | 57.3 | 65% | 0.649 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.8 | 23.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 213 | L | 89.1 | Confident | 85.4 | Confident | 14 Ų | 14 | 60 Ų | 60 | 7% | 0.073 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -69.3 | 174.4 | 162.7 | -61.5 | 173 | 0 | 0 | 0 | 110.6 | I205 C210 Y215 K254 C257 P315 | I205-L213 HydrophobicContact CD1-CD1 4.25Å; C210-L213 WeakPolarHBondContact O-CG 3.36Å; L213-Y215 HydrophobicContact CB-CD1 4.41Å; L213-Y215 HydrophobicContact CB-CE1 4.31Å; L213-Y215 HydrophobicContact CD1-CE1 4.17Å; L213-Y215 HydrophobicContact CD1-CE2 4.19Å; L213-Y215 PolarHBondContact O-N 2.61Å; L213-Y215 VanDerWaalsContact O-N 3.17Å; L213-K254 HydrophobicContact CD2-CG 4.38Å; L213-C257 HydrophobicContact CD1-CB 3.87Å; L213-C257 HydrophobicContact CD2-CB 4.12Å; L213-P315 HydrophobicContact CD2-CB 4.04Å |
| 214 | S | 89.7 | Confident | 84.9 | Confident | 83 Ų | 83 | 63 Ų | 63 | 58% | 0.58 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -63.5 | -13.5 | 173.4 | 66.2 | 0 | 0 | 0 | 0 | 114.1 | Q314 P315 | S214-Q314 PolarHBondContact OG-O 2.02Å; S214-P315 PolarHBondContact N-OXT 2.99Å; S214-P315 WeakPolarHBondContact OG-CA 3.29Å; S214-P315 PolarHBondContact OG-OXT 3.22Å |
| 215 | Y | 90 | Very high | 84.7 | Confident | 15 Ų | 15 | 60.5 Ų | 60.5 | 6% | 0.059 | 32% | 0.317 | C | S | . | . | trans | -132.5 | 157.2 | 175.9 | 60.9 | -87 | 0 | 0 | 0 | 111.6 | I205 L213 F217 G258 L261 Q263 P315 | I205-Y215 HydrophobicContact CD1-CD2 3.86Å; I205-Y215 HydrophobicContact CD1-CE2 3.65Å; L213-Y215 HydrophobicContact CB-CD1 4.41Å; L213-Y215 HydrophobicContact CB-CE1 4.31Å; L213-Y215 HydrophobicContact CD1-CE1 4.17Å; L213-Y215 HydrophobicContact CD1-CE2 4.19Å; L213-Y215 PolarHBondContact O-N 2.61Å; L213-Y215 VanDerWaalsContact O-N 3.17Å; Y215-F217 WeakPolarHBondContact CD2-O 3.47Å; Y215-G258 WeakPolarHBondContact OH-CA 3.22Å; Y215-L261 WeakPolarHBondContact CE2-O 2.94Å; Y215-L261 PolarHBondContact OH-O 3.33Å; Y215-Q263 HydrophobicContact CD1-CB 3.83Å; Y215-Q263 HydrophobicContact CD1-CG 4Å; Y215-Q263 HydrophobicContact CD2-CB 3.81Å; Y215-Q263 HydrophobicContact CD2-CG 3.96Å; Y215-Q263 HydrophobicContact CE1-CB 3.84Å; Y215-Q263 HydrophobicContact CE2-CB 3.81Å; Y215-Q263 HydrophobicContact CE2-CG 4.47Å; Y215-Q263 HydrophobicContact CG-CB 3.82Å; Y215-Q263 HydrophobicContact CG-CG 3.7Å; Y215-P315 HydrophobicContact CE1-CB 3.79Å; Y215-P315 HydrophobicContact CE1-CG 4.07Å | ||
| 216 | N | 90.7 | Very high | 84.1 | Confident | 104 Ų | 104 | 65 Ų | 65 | 56% | 0.556 | 35% | 0.35 | S | S | * | . | trans | -112.9 | -7 | -177.4 | -64.4 | -34.8 | 0 | 0 | 0 | 113.6 | I204 I205 | I204-N216 WeakPolarHBondContact CA-O 3.48Å; I205-N216 PolarHBondContact N-O 2.98Å | ||
| 217 | F | 88.9 | Confident | 83.7 | Confident | 101 Ų | 101 | 58 Ų | 58 | 44% | 0.443 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 130.4 | -172.1 | -65.3 | -78.7 | 0 | 0 | 0 | 111.7 | C202 E203 I204 Y215 C264 | C202-F217 HydrophobicContact CB-CB 3.91Å; C202-F217 HydrophobicContact CB-CD1 4.14Å; C202-F217 HydrophobicContact CB-CG 4.22Å; E203-F217 CarbonylContact O-C 3.53Å; E203-F217 VanDerWaalsContact O-CA 3.24Å; E203-F217 WeakPolarHBondContact O-CA 3.49Å; I204-F217 HydrophobicContact CD1-CE1 4.46Å; I204-F217 HydrophobicContact CG1-CD1 4.02Å; I204-F217 HydrophobicContact CG1-CE1 3.58Å; I204-F217 HydrophobicContact CG1-CZ 4.41Å; Y215-F217 WeakPolarHBondContact CD2-O 3.47Å; F217-C264 HydrophobicContact CB-CB 4.22Å; F217-C264 PolarHBondContact O-N 2.85Å |
| 218 | T | 89.4 | Confident | 83 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 175.3 | 174.6 | -168.7 | 0 | 0 | 0 | 0 | 109.9 | C202 E203 I205 F220 Q230 L261 P262 | C202-T218 CarbonylContact C-O 3.47Å; C202-T218 WeakPolarHBondContact CA-O 3.32Å; E203-T218 HydrophobicContact CG-CG2 3.89Å; E203-T218 WeakPolarHBondContact CG-O 3.45Å; E203-T218 PolarHBondContact N-O 3.32Å; E203-T218 PolarHBondContact O-N 3.17Å; I205-T218 HydrophobicContact CG1-CG2 3.96Å; T218-F220 HydrophobicContact CG2-CD2 4.14Å; T218-F220 HydrophobicContact CG2-CE2 3.85Å; T218-Q230 HydrophobicContact CG2-CG 4.1Å; T218-L261 HydrophobicContact CG2-CD2 4.27Å; T218-L261 PolarHBondContact OG1-O 3.09Å; T218-P262 VanDerWaalsContact CA-O 3.3Å; T218-P262 WeakPolarHBondContact CA-O 2.96Å; T218-P262 WeakPolarHBondContact CB-O 3.01Å; T218-P262 PolarHBondContact OG1-O 3.41Å |
| 219 | S | 86.6 | Confident | 82.7 | Confident | 9 Ų | 9 | 55 Ų | 55 | 6% | 0.063 | 32% | 0.315 | C | S | . | . | trans | -145.1 | 137.2 | 173.2 | -172.4 | 0 | 0 | 0 | 0 | 109.1 | V270 | S219-V270 VanDerWaalsContact O-CG1 3.23Å; S219-V270 WeakPolarHBondContact O-CG1 3.48Å | ||
| 220 | F | 78.7 | Confident | 82.9 | Confident | 18 Ų | 18 | 53 Ų | 53 | 8% | 0.079 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -117.2 | 156.8 | 176.7 | -83.3 | -98.6 | 0 | 0 | 0 | 111.2 | E203 T218 N222 I227 Q230 A233 F260 L261 | E203-F220 VanDerWaalsContact OE1-CD2 3.26Å; E203-F220 WeakPolarHBondContact OE1-CD2 3.42Å; T218-F220 HydrophobicContact CG2-CD2 4.14Å; T218-F220 HydrophobicContact CG2-CE2 3.85Å; F220-N222 HydrophobicContact CD1-CB 4.11Å; F220-N222 HydrophobicContact CE1-CB 3.8Å; F220-N222 HydrophobicContact CZ-CB 4.44Å; F220-I227 HydrophobicContact CD1-CG2 4.42Å; F220-I227 HydrophobicContact CE1-CB 4.24Å; F220-I227 HydrophobicContact CE1-CG2 3.78Å; F220-Q230 HydrophobicContact CD2-CG 3.77Å; F220-Q230 HydrophobicContact CE2-CB 4.44Å; F220-Q230 HydrophobicContact CE2-CG 3.47Å; F220-Q230 VanDerWaalsContact CE2-CG 3.47Å; F220-Q230 HydrophobicContact CZ-CG 4.16Å; F220-A233 HydrophobicContact CE1-CB 4.19Å; F220-A233 HydrophobicContact CZ-CB 3.94Å; F220-F260 VanDerWaalsContact CZ-O 3.24Å; F220-F260 WeakPolarHBondContact CZ-O 3.2Å; F220-L261 HydrophobicContact CE2-CD2 3.73Å; F220-L261 HydrophobicContact CZ-CD2 3.79Å |
| 221 | P | 77.9 | Confident | 82.4 | Confident | 70 Ų | 70 | 62 Ų | 62 | 46% | 0.455 | 34% | 0.338 | S | S | . | . | cis | -75.9 | 149 | 7 | 31.2 | -35.7 | 0 | 0 | 0 | 114.3 | I223 I227 | P221-I223 HydrophobicContact CG-CG1 4.21Å; P221-I223 PolarHBondContact O-N 2.84Å; P221-I227 CarbonylContact C-O 3.53Å | ||
| 222 | N | 78.9 | Confident | 82.2 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 33% | 0.333 | C | S | . | . | B | Isolated β-bridge | trans | -86.5 | 86.7 | 169.7 | 179 | -4.1 | 0 | 0 | 0 | 109.1 | F220 W224 L225 S226 I227 M259 F260 | F220-N222 HydrophobicContact CD1-CB 4.11Å; F220-N222 HydrophobicContact CE1-CB 3.8Å; F220-N222 HydrophobicContact CZ-CB 4.44Å; N222-W224 VanDerWaalsContact C-N 3.28Å; N222-W224 PolarHBondContact O-N 3.19Å; N222-W224 PolarHBondContact OD1-N 3.32Å; N222-L225 PolarHBondContact O-N 3.37Å; N222-S226 PolarHBondContact O-N 3.02Å; N222-I227 HydrophobicContact CB-CB 4.21Å; N222-I227 PolarHBondContact N-O 2.81Å; N222-I227 PolarHBondContact O-N 3.29Å; N222-M259 PolarHBondContact ND2-O 2.03Å; N222-F260 PolarHBondContact ND2-O 2.79Å |
| 223 | I | 66.7 | Low | 82.2 | Confident | 109 Ų | 109 | 57.8 Ų | 57.8 | 56% | 0.559 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | -61.3 | -35.9 | -174.4 | -60.5 | 171.2 | 0 | 0 | 0 | 111.8 | P221 L225 S226 | P221-I223 HydrophobicContact CG-CG1 4.21Å; P221-I223 PolarHBondContact O-N 2.84Å; I223-L225 PolarHBondContact O-N 3.45Å; I223-S226 PolarHBondContact O-N 3.04Å |
| 224 | W | 74.6 | Confident | 82.1 | Confident | 132 Ų | 132 | 58.3 Ų | 58.3 | 50% | 0.5 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -57.5 | -38.6 | -178.6 | -175.8 | -89.5 | 0 | 0 | 0 | 112.5 | N222 L302 | N222-W224 VanDerWaalsContact C-N 3.28Å; N222-W224 PolarHBondContact O-N 3.19Å; N222-W224 PolarHBondContact OD1-N 3.32Å; W224-L302 HydrophobicContact CH2-CB 3.96Å; W224-L302 HydrophobicContact CZ2-CB 3.8Å; W224-L302 HydrophobicContact CZ2-CD1 4.13Å |
| 225 | L | 80.3 | Confident | 81.7 | Confident | 57 Ų | 57 | 57.9 Ų | 57.9 | 30% | 0.298 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -103.5 | 4.7 | 177.3 | -61.6 | 179.8 | 0 | 0 | 0 | 112.9 | N222 I223 I227 F260 | N222-L225 PolarHBondContact O-N 3.37Å; I223-L225 PolarHBondContact O-N 3.45Å; L225-I227 VanDerWaalsContact C-N 3.3Å; L225-I227 HydrophobicContact CB-CD1 3.6Å; L225-I227 HydrophobicContact CB-CG1 3.75Å; L225-I227 HydrophobicContact CD1-CD1 3.95Å; L225-I227 HydrophobicContact CG-CD1 4.44Å; L225-I227 PolarHBondContact O-N 3.08Å; L225-F260 HydrophobicContact CD1-CD1 4.13Å; L225-F260 HydrophobicContact CD1-CD2 3.74Å; L225-F260 HydrophobicContact CD1-CE1 4.15Å; L225-F260 HydrophobicContact CD1-CE2 3.8Å; L225-F260 HydrophobicContact CD1-CG 3.93Å; L225-F260 HydrophobicContact CD1-CZ 4.01Å |
| 226 | S | 78.8 | Confident | 81.5 | Confident | 105 Ų | 105 | 60.9 Ų | 60.9 | 73% | 0.734 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 43.7 | -174.1 | -156.8 | 0 | 0 | 0 | 0 | 113.2 | N222 I223 | N222-S226 PolarHBondContact O-N 3.02Å; I223-S226 PolarHBondContact O-N 3.04Å |
| 227 | I | 77.9 | Confident | 81.3 | Confident | 3 Ų | 3 | 56 Ų | 56 | 2% | 0.015 | 29% | 0.293 | C | S | . | . | B | Isolated β-bridge | trans | -105.1 | 126.2 | -179.5 | -55.2 | 171 | 0 | 0 | 0 | 109.4 | F220 P221 N222 L225 D229 E232 A233 L236 F260 | F220-I227 HydrophobicContact CD1-CG2 4.42Å; F220-I227 HydrophobicContact CE1-CB 4.24Å; F220-I227 HydrophobicContact CE1-CG2 3.78Å; P221-I227 CarbonylContact C-O 3.53Å; N222-I227 HydrophobicContact CB-CB 4.21Å; N222-I227 PolarHBondContact N-O 2.81Å; N222-I227 PolarHBondContact O-N 3.29Å; L225-I227 VanDerWaalsContact C-N 3.3Å; L225-I227 HydrophobicContact CB-CD1 3.6Å; L225-I227 HydrophobicContact CB-CG1 3.75Å; L225-I227 HydrophobicContact CD1-CD1 3.95Å; L225-I227 HydrophobicContact CG-CD1 4.44Å; L225-I227 PolarHBondContact O-N 3.08Å; I227-D229 WeakPolarHBondContact CG2-O 3.42Å; I227-E232 HydrophobicContact CG2-CB 3.83Å; I227-E232 HydrophobicContact CG2-CG 3.91Å; I227-A233 HydrophobicContact CG2-CB 4.01Å; I227-L236 HydrophobicContact CD1-CD1 3.81Å; I227-L236 HydrophobicContact CG1-CD1 3.89Å; I227-F260 HydrophobicContact CD1-CD1 3.52Å; I227-F260 HydrophobicContact CD1-CE1 3.79Å; I227-F260 HydrophobicContact CD1-CG 4.38Å |
| 228 | A | 74.2 | Confident | 81 | Confident | 63 Ų | 63 | 58.9 Ų | 58.9 | 52% | 0.521 | 30% | 0.301 | S | S | . | . | trans | -79.2 | -38.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | E232 | A228-E232 WeakPolarHBondContact CB-OE2 3.4Å; A228-E232 PolarHBondContact N-OE2 2.97Å | ||
| 229 | D | 78.8 | Confident | 80.5 | Confident | 51 Ų | 51 | 66 Ų | 66 | 27% | 0.273 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -148.8 | 167.2 | -173.1 | 67.8 | 41 | 0 | 0 | 0 | 113.5 | I227 R231 E232 A233 | I227-D229 WeakPolarHBondContact CG2-O 3.42Å; D229-R231 PolarHBondContact O-N 2.83Å; D229-R231 WeakPolarHBondContact OD1-CA 3.22Å; D229-R231 VanDerWaalsContact OD1-CB 3.27Å; D229-R231 WeakPolarHBondContact OD1-CB 3.46Å; D229-R231 PolarHBondContact OD1-N 2.9Å; D229-R231 IonicContact OD2-CZ 3.93Å; D229-R231 IonicContact OD2-NE 3.93Å; D229-R231 IonicContact OD2-NH2 3.19Å; D229-R231 PolarHBondContact OD2-NH2 2.86Å; D229-E232 PolarHBondContact O-N 3.06Å; D229-E232 PolarHBondContact OD1-N 3.11Å; D229-A233 PolarHBondContact O-N 2.98Å |
| 230 | Q | 86.3 | Confident | 80.1 | Confident | 9 Ų | 9 | 67.3 Ų | 67.3 | 4% | 0.042 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.8 | -26.5 | 177.7 | -70.1 | -164.8 | 63.2 | 0 | 0 | 113.8 | E203 I204 V207 T218 F220 A234 L261 | E203-Q230 PolarHBondContact OE2-NE2 3.45Å; I204-Q230 PolarHBondContact O-NE2 3.3Å; V207-Q230 HydrophobicContact CG2-CB 4.24Å; T218-Q230 HydrophobicContact CG2-CG 4.1Å; F220-Q230 HydrophobicContact CD2-CG 3.77Å; F220-Q230 HydrophobicContact CE2-CB 4.44Å; F220-Q230 HydrophobicContact CE2-CG 3.47Å; F220-Q230 VanDerWaalsContact CE2-CG 3.47Å; F220-Q230 HydrophobicContact CZ-CG 4.16Å; Q230-A234 VanDerWaalsContact O-CB 3.3Å; Q230-A234 WeakPolarHBondContact O-CB 3.15Å; Q230-A234 PolarHBondContact O-N 3.43Å; Q230-L261 HydrophobicContact CB-CD2 4.36Å; Q230-L261 HydrophobicContact CG-CD2 3.84Å |
| 231 | R | 80.8 | Confident | 80 | Confident | 190 Ų | 190 | 73.2 Ų | 73.2 | 72% | 0.717 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -74.2 | -38.6 | 179.9 | 174.1 | -169.9 | 63 | -171.4 | -8.2 | 110.9 | D229 T235 | D229-R231 PolarHBondContact O-N 2.83Å; D229-R231 WeakPolarHBondContact OD1-CA 3.22Å; D229-R231 VanDerWaalsContact OD1-CB 3.27Å; D229-R231 WeakPolarHBondContact OD1-CB 3.46Å; D229-R231 PolarHBondContact OD1-N 2.9Å; D229-R231 IonicContact OD2-CZ 3.93Å; D229-R231 IonicContact OD2-NE 3.93Å; D229-R231 IonicContact OD2-NH2 3.19Å; D229-R231 PolarHBondContact OD2-NH2 2.86Å; R231-T235 PolarHBondContact O-N 2.03Å; R231-T235 VanDerWaalsContact O-N 3.11Å; R231-T235 PolarHBondContact O-OG1 2.82Å |
| 232 | E | 81.9 | Confident | 79.7 | Confident | 81 Ų | 81 | 75.1 Ų | 75.1 | 38% | 0.379 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -65.7 | -45.9 | 171.2 | -173.5 | 174.3 | -152.9 | 0 | 0 | 110.5 | I227 A228 D229 A234 T235 L236 | I227-E232 HydrophobicContact CG2-CB 3.83Å; I227-E232 HydrophobicContact CG2-CG 3.91Å; A228-E232 WeakPolarHBondContact CB-OE2 3.4Å; A228-E232 PolarHBondContact N-OE2 2.97Å; D229-E232 PolarHBondContact O-N 3.06Å; D229-E232 PolarHBondContact OD1-N 3.11Å; E232-A234 VanDerWaalsContact C-N 3.34Å; E232-A234 PolarHBondContact O-N 3.04Å; E232-T235 WeakPolarHBondContact O-CB 3.1Å; E232-T235 PolarHBondContact O-N 3.28Å; E232-L236 PolarHBondContact O-N 2.88Å |
| 233 | A | 87.1 | Confident | 79.3 | Confident | 0 Ų | 0 | 76.1 Ų | 76.1 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -54.5 | -49.3 | 173 | 0 | 0 | 0 | 0 | 0 | 111.6 | F220 I227 D229 T235 L236 L237 L261 | F220-A233 HydrophobicContact CE1-CB 4.19Å; F220-A233 HydrophobicContact CZ-CB 3.94Å; I227-A233 HydrophobicContact CG2-CB 4.01Å; D229-A233 PolarHBondContact O-N 2.98Å; A233-T235 PolarHBondContact O-N 3.27Å; A233-L236 PolarHBondContact O-N 2.83Å; A233-L237 WeakPolarHBondContact O-CB 3.29Å; A233-L237 WeakPolarHBondContact O-CG 2.95Å; A233-L237 PolarHBondContact O-N 2.97Å; A233-L261 HydrophobicContact CB-CD2 4.32Å |
| 234 | A | 86.7 | Confident | 79.3 | Confident | 24 Ų | 24 | 72.3 Ų | 72.3 | 20% | 0.198 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -59.2 | -32.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113 | V207 Q230 E232 R238 | V207-A234 HydrophobicContact CG1-CB 3.96Å; V207-A234 HydrophobicContact CG2-CB 3.93Å; Q230-A234 VanDerWaalsContact O-CB 3.3Å; Q230-A234 WeakPolarHBondContact O-CB 3.15Å; Q230-A234 PolarHBondContact O-N 3.43Å; E232-A234 VanDerWaalsContact C-N 3.34Å; E232-A234 PolarHBondContact O-N 3.04Å; A234-R238 WeakPolarHBondContact O-CG 3.34Å |
| 235 | T | 81.1 | Confident | 78.8 | Confident | 74 Ų | 74 | 72.4 Ų | 72.4 | 45% | 0.454 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -72 | -45.9 | 178.7 | -59.8 | 0 | 0 | 0 | 0 | 111.2 | R231 E232 A233 R238 | R231-T235 PolarHBondContact O-N 2.03Å; R231-T235 VanDerWaalsContact O-N 3.11Å; R231-T235 PolarHBondContact O-OG1 2.82Å; E232-T235 WeakPolarHBondContact O-CB 3.1Å; E232-T235 PolarHBondContact O-N 3.28Å; A233-T235 PolarHBondContact O-N 3.27Å; T235-R238 WeakPolarHBondContact O-CB 3.1Å; T235-R238 PolarHBondContact O-N 2.93Å |
| 236 | L | 85.2 | Confident | 78.3 | Confident | 79 Ų | 79 | 73.3 Ų | 73.3 | 41% | 0.414 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -66.3 | -39.9 | 177.5 | -66.4 | 172.1 | 0 | 0 | 0 | 111.8 | I227 E232 A233 R238 Q239 F260 | I227-L236 HydrophobicContact CD1-CD1 3.81Å; I227-L236 HydrophobicContact CG1-CD1 3.89Å; E232-L236 PolarHBondContact O-N 2.88Å; A233-L236 PolarHBondContact O-N 2.83Å; L236-R238 PolarHBondContact O-N 3.35Å; L236-R238 VanDerWaalsContact O-N 3.11Å; L236-Q239 PolarHBondContact O-N 2.96Å; L236-F260 HydrophobicContact CB-CD1 4.36Å; L236-F260 HydrophobicContact CB-CE1 3.64Å; L236-F260 HydrophobicContact CD1-CE1 4.09Å |
| 237 | L | 86.5 | Confident | 77.2 | Confident | 0 Ų | 0 | 73.6 Ų | 73.6 | 0% | 0 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.1 | -19.3 | 178 | -74.8 | 170.7 | 0 | 0 | 0 | 113.7 | V207 M209 A233 Q239 Y240 R241 V256 F260 L261 | V207-L237 HydrophobicContact CG1-CD1 4.08Å; M209-L237 HydrophobicContact CE-CB 4.12Å; M209-L237 HydrophobicContact SD-CB 3.58Å; M209-L237 VanDerWaalsContact SD-CB 3.58Å; A233-L237 WeakPolarHBondContact O-CB 3.29Å; A233-L237 WeakPolarHBondContact O-CG 2.95Å; A233-L237 PolarHBondContact O-N 2.97Å; L237-Q239 PolarHBondContact O-N 3.01Å; L237-Y240 PolarHBondContact O-N 3.24Å; L237-R241 PolarHBondContact O-N 3.09Å; L237-V256 HydrophobicContact CD2-CG1 3.29Å; L237-F260 HydrophobicContact CD1-CB 3.96Å; L237-F260 HydrophobicContact CD1-CD1 4.46Å; L237-F260 HydrophobicContact CD1-CG 4.34Å; L237-F260 HydrophobicContact CD2-CB 3.93Å; L237-F260 HydrophobicContact CD2-CD1 3.93Å; L237-F260 HydrophobicContact CD2-CD2 3.81Å; L237-F260 HydrophobicContact CD2-CE1 4.42Å; L237-F260 HydrophobicContact CD2-CE2 4.29Å; L237-F260 HydrophobicContact CD2-CG 3.6Å; L237-F260 HydrophobicContact CG-CB 4.07Å; L237-F260 HydrophobicContact CG-CD1 3.79Å; L237-F260 HydrophobicContact CG-CE1 4.4Å; L237-F260 HydrophobicContact CG-CG 3.88Å; L237-L261 HydrophobicContact CD1-CD1 4.22Å |
| 238 | R | 83.3 | Confident | 76.6 | Confident | 163 Ų | 163 | 78.3 Ų | 78.3 | 62% | 0.615 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -58.4 | -29.7 | 175.3 | -72.1 | 174.3 | -178.2 | 176.5 | 1 | 113.1 | A234 T235 L236 Y240 R241 | A234-R238 WeakPolarHBondContact O-CG 3.34Å; T235-R238 WeakPolarHBondContact O-CB 3.1Å; T235-R238 PolarHBondContact O-N 2.93Å; L236-R238 PolarHBondContact O-N 3.35Å; L236-R238 VanDerWaalsContact O-N 3.11Å; R238-Y240 PolarHBondContact O-N 3.29Å; R238-R241 VanDerWaalsContact O-CB 3.26Å; R238-R241 WeakPolarHBondContact O-CB 3.31Å; R238-R241 PolarHBondContact O-N 2.77Å |
| 239 | Q | 78.4 | Confident | 76.7 | Confident | 148 Ų | 148 | 75.6 Ų | 75.6 | 69% | 0.692 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -61.2 | -33 | 176.5 | 176.9 | 174.7 | -11.3 | 0 | 0 | 111.9 | L236 L237 | L236-Q239 PolarHBondContact O-N 2.96Å; L237-Q239 PolarHBondContact O-N 3.01Å |
| 240 | Y | 78.1 | Confident | 76.8 | Confident | 38 Ų | 38 | 78 Ų | 78 | 15% | 0.149 | 39% | 0.393 | C | S | . | . | G | 310 helix | trans | -88.8 | -7.2 | -178.3 | -62.2 | -83.1 | 0 | 0 | 0 | 113.1 | L237 R238 V242 L243 M244 V256 F260 F298 | L237-Y240 PolarHBondContact O-N 3.24Å; R238-Y240 PolarHBondContact O-N 3.29Å; Y240-V242 VanDerWaalsContact C-N 3.31Å; Y240-V242 PolarHBondContact O-N 2.74Å; Y240-L243 HydrophobicContact CD1-CD1 4.19Å; Y240-L243 WeakPolarHBondContact O-CB 3.32Å; Y240-L243 PolarHBondContact O-N 3.31Å; Y240-M244 VanDerWaalsContact O-CG 3.31Å; Y240-M244 WeakPolarHBondContact O-CG 3.34Å; Y240-M244 PolarHBondContact O-N 2.94Å; Y240-V256 HydrophobicContact CD2-CG1 4.34Å; Y240-V256 HydrophobicContact CG-CG1 4.34Å; Y240-F260 HydrophobicContact CE2-CZ 4.37Å; Y240-F298 HydrophobicContact CE1-CZ 4.44Å |
| 241 | R | 76.4 | Confident | 76.9 | Confident | 142 Ų | 142 | 78.8 Ų | 78.8 | 54% | 0.536 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -52.3 | -46.1 | -174.9 | -175.6 | -180 | -179.2 | 149.4 | 9.1 | 113.3 | L237 R238 L243 M244 E245 | L237-R241 PolarHBondContact O-N 3.09Å; R238-R241 VanDerWaalsContact O-CB 3.26Å; R238-R241 WeakPolarHBondContact O-CB 3.31Å; R238-R241 PolarHBondContact O-N 2.77Å; R241-L243 VanDerWaalsContact C-N 3.31Å; R241-L243 PolarHBondContact O-N 2.85Å; R241-M244 PolarHBondContact O-N 3.48Å; R241-E245 IonicContact CZ-OE1 3.84Å; R241-E245 IonicContact NE-OE1 3Å; R241-E245 PolarHBondContact NE-OE1 2.79Å; R241-E245 IonicContact NH2-OE1 3.78Å; R241-E245 WeakPolarHBondContact O-CG 3.41Å; R241-E245 PolarHBondContact O-N 2.82Å; R241-E245 VanDerWaalsContact O-N 3.11Å |
| 242 | V | 72.8 | Confident | 77.1 | Confident | 109 Ų | 109 | 69.9 Ų | 69.9 | 66% | 0.661 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -64.2 | -38 | -178.2 | -179.9 | 0 | 0 | 0 | 0 | 111.5 | Y240 M244 | Y240-V242 VanDerWaalsContact C-N 3.31Å; Y240-V242 PolarHBondContact O-N 2.74Å; V242-M244 VanDerWaalsContact C-N 3.32Å |
| 243 | L | 70.6 | Confident | 77.4 | Confident | 22 Ų | 22 | 69.8 Ų | 69.8 | 12% | 0.115 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -68.9 | -34.4 | 177.8 | -62.8 | 171.9 | 0 | 0 | 0 | 111.2 | Y240 R241 F249 L252 L289 F294 | Y240-L243 HydrophobicContact CD1-CD1 4.19Å; Y240-L243 WeakPolarHBondContact O-CB 3.32Å; Y240-L243 PolarHBondContact O-N 3.31Å; R241-L243 VanDerWaalsContact C-N 3.31Å; R241-L243 PolarHBondContact O-N 2.85Å; L243-F249 WeakPolarHBondContact O-CB 3.29Å; L243-F249 WeakPolarHBondContact O-CD2 3.34Å; L243-F249 WeakPolarHBondContact O-CG 3.34Å; L243-L252 HydrophobicContact CB-CD2 4.38Å; L243-L289 HydrophobicContact CD1-CD2 3.95Å; L243-L289 HydrophobicContact CD2-CD2 3.78Å; L243-L289 HydrophobicContact CG-CD2 4.42Å; L243-F294 HydrophobicContact CD2-CD2 4.31Å; L243-F294 HydrophobicContact CD2-CE2 4.47Å |
| 244 | M | 65.6 | Low | 77.6 | Confident | 29 Ų | 29 | 72.8 Ų | 72.8 | 14% | 0.143 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -83.9 | -16.1 | -176.6 | -58.7 | -144.4 | -66 | 0 | 0 | 114.7 | M209 Y240 R241 V242 L246 R253 | M209-M244 HydrophobicContact CB-CE 4.17Å; M209-M244 HydrophobicContact CG-CE 4.01Å; M209-M244 HydrophobicContact SD-CE 3.68Å; Y240-M244 VanDerWaalsContact O-CG 3.31Å; Y240-M244 WeakPolarHBondContact O-CG 3.34Å; Y240-M244 PolarHBondContact O-N 2.94Å; R241-M244 PolarHBondContact O-N 3.48Å; V242-M244 VanDerWaalsContact C-N 3.32Å; M244-L246 VanDerWaalsContact C-N 3.25Å; M244-L246 PolarHBondContact O-N 3.09Å; M244-R253 HydrophobicContact CE-CG 4.14Å; M244-R253 WeakPolarHBondContact SD-CA 3.39Å; M244-R253 HydrophobicContact SD-CB 3.53Å; M244-R253 VanDerWaalsContact SD-CB 3.53Å; M244-R253 HydrophobicContact SD-CG 3.57Å; M244-R253 VanDerWaalsContact SD-CG 3.57Å |
| 245 | E | 65.2 | Low | 77.8 | Confident | 134 Ų | 134 | 71.7 Ų | 71.7 | 63% | 0.626 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -7.6 | 175 | -76.2 | 178.1 | -174.3 | 0 | 0 | 112.9 | R241 | R241-E245 IonicContact CZ-OE1 3.84Å; R241-E245 IonicContact NE-OE1 3Å; R241-E245 PolarHBondContact NE-OE1 2.79Å; R241-E245 IonicContact NH2-OE1 3.78Å; R241-E245 WeakPolarHBondContact O-CG 3.41Å; R241-E245 PolarHBondContact O-N 2.82Å; R241-E245 VanDerWaalsContact O-N 3.11Å |
| 246 | L | 69.4 | Low | 78.3 | Confident | 76 Ų | 76 | 68.1 Ų | 68.1 | 40% | 0.398 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -84.9 | 127.9 | 173.6 | -66.4 | 173.1 | 0 | 0 | 0 | 110.3 | M244 C248 F249 F292 | M244-L246 VanDerWaalsContact C-N 3.25Å; M244-L246 PolarHBondContact O-N 3.09Å; L246-C248 PolarHBondContact O-N 3.4Å; L246-F249 HydrophobicContact CB-CD2 3.57Å; L246-F249 HydrophobicContact CB-CE2 3.92Å; L246-F249 HydrophobicContact CD1-CD2 4.26Å; L246-F249 HydrophobicContact CD1-CE2 3.8Å; L246-F249 PolarHBondContact O-N 2.95Å; L246-F249 VanDerWaalsContact O-N 3.1Å; L246-F292 HydrophobicContact CD1-CE2 4.16Å; L246-F292 HydrophobicContact CD1-CZ 4.27Å |
| 247 | A | 56 | Low | 78.6 | Confident | 111 Ų | 111 | 64.4 Ų | 64.4 | 92% | 0.917 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -10.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 248 | C | 63.9 | Low | 78.9 | Confident | 101 Ų | 101 | 64.4 Ų | 64.4 | 68% | 0.682 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | 2.3 | 178.2 | -64.4 | 0 | 0 | 0 | 0 | 114.7 | L246 | L246-C248 PolarHBondContact O-N 3.4Š|
| 249 | F | 76.1 | Confident | 79.3 | Confident | 6 Ų | 6 | 57.3 Ų | 57.3 | 3% | 0.026 | 30% | 0.298 | C | S | . | . | trans | -117.5 | 27.9 | -167.9 | -72.5 | -89.7 | 0 | 0 | 0 | 115.3 | L243 L246 L252 R253 C285 A288 L289 | L243-F249 WeakPolarHBondContact O-CB 3.29Å; L243-F249 WeakPolarHBondContact O-CD2 3.34Å; L243-F249 WeakPolarHBondContact O-CG 3.34Å; L246-F249 HydrophobicContact CB-CD2 3.57Å; L246-F249 HydrophobicContact CB-CE2 3.92Å; L246-F249 HydrophobicContact CD1-CD2 4.26Å; L246-F249 HydrophobicContact CD1-CE2 3.8Å; L246-F249 PolarHBondContact O-N 2.95Å; L246-F249 VanDerWaalsContact O-N 3.1Å; F249-L252 HydrophobicContact CB-CB 4.3Å; F249-L252 HydrophobicContact CD1-CB 3.94Å; F249-L252 HydrophobicContact CD1-CD2 3.5Å; F249-L252 HydrophobicContact CD1-CG 4.37Å; F249-L252 HydrophobicContact CE1-CD2 4.02Å; F249-L252 HydrophobicContact CG-CD2 4.45Å; F249-L252 PolarHBondContact O-N 3.01Å; F249-R253 PolarHBondContact O-N 3.19Å; F249-C285 HydrophobicContact CD1-CB 4.03Å; F249-C285 HydrophobicContact CE1-CB 3.86Å; F249-A288 HydrophobicContact CE1-CB 4.24Å; F249-A288 HydrophobicContact CE2-CB 4.34Å; F249-A288 HydrophobicContact CZ-CB 3.6Å; F249-L289 HydrophobicContact CE1-CD2 4.07Å; F249-L289 HydrophobicContact CE1-CG 4.27Å | ||
| 250 | E | 82.1 | Confident | 79.9 | Confident | 103 Ų | 103 | 51.1 Ų | 51.1 | 48% | 0.481 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -58.3 | -43.2 | 171.7 | -162.6 | -158.5 | 158.7 | 0 | 0 | 113.2 | L252 R253 K254 | E250-L252 PolarHBondContact O-N 3.42Å; E250-R253 PolarHBondContact O-N 3.47Å; E250-K254 PolarHBondContact O-N 2.55Å; E250-K254 WeakPolarHBondContact OE1-CE 3.49Å; E250-K254 IonicContact OE1-NZ 2.8Å; E250-K254 PolarHBondContact OE1-NZ 2.82Å |
| 251 | P | 87.4 | Confident | 80.6 | Confident | 25 Ų | 25 | 49.3 Ų | 49.3 | 16% | 0.162 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.5 | -40.6 | 177.7 | -22.4 | 34.6 | 0 | 0 | 0 | 112.8 | R253 K254 L255 A281 Q284 | P251-R253 VanDerWaalsContact C-N 3.34Å; P251-K254 PolarHBondContact O-N 3.42Å; P251-L255 PolarHBondContact O-N 3.03Å; P251-L255 VanDerWaalsContact O-N 3.1Å; P251-A281 HydrophobicContact CB-CB 4.01Å; P251-Q284 HydrophobicContact CG-CB 4.43Å |
| 252 | L | 86.4 | Confident | 81.3 | Confident | 3 Ų | 3 | 42.5 Ų | 42.5 | 2% | 0.016 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.3 | -41 | 176.1 | -177.5 | 63.4 | 0 | 0 | 0 | 111 | L243 F249 E250 K254 L255 V256 W296 F298 | L243-L252 HydrophobicContact CB-CD2 4.38Å; F249-L252 HydrophobicContact CB-CB 4.3Å; F249-L252 HydrophobicContact CD1-CB 3.94Å; F249-L252 HydrophobicContact CD1-CD2 3.5Å; F249-L252 HydrophobicContact CD1-CG 4.37Å; F249-L252 HydrophobicContact CE1-CD2 4.02Å; F249-L252 HydrophobicContact CG-CD2 4.45Å; F249-L252 PolarHBondContact O-N 3.01Å; E250-L252 PolarHBondContact O-N 3.42Å; L252-K254 PolarHBondContact O-N 3.36Å; L252-L255 PolarHBondContact O-N 2.92Å; L252-V256 HydrophobicContact CD1-CG2 3.85Å; L252-V256 HydrophobicContact CG-CG2 4.11Å; L252-V256 WeakPolarHBondContact O-CB 3.41Å; L252-V256 VanDerWaalsContact O-CG2 3.25Å; L252-V256 WeakPolarHBondContact O-CG2 3.32Å; L252-V256 PolarHBondContact O-N 3.26Å; L252-W296 HydrophobicContact CD1-CH2 3.92Å; L252-W296 HydrophobicContact CD1-CZ3 3.8Å; L252-F298 HydrophobicContact CD1-CE2 4.12Å |
| 253 | R | 88.4 | Confident | 82.2 | Confident | 78 Ų | 78 | 39.7 Ų | 39.7 | 29% | 0.294 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -59.1 | -47 | 175.8 | -177.6 | -176.2 | 73.9 | 162.1 | 6.1 | 112 | M244 F249 E250 P251 L255 V256 C257 | M244-R253 HydrophobicContact CE-CG 4.14Å; M244-R253 WeakPolarHBondContact SD-CA 3.39Å; M244-R253 HydrophobicContact SD-CB 3.53Å; M244-R253 VanDerWaalsContact SD-CB 3.53Å; M244-R253 HydrophobicContact SD-CG 3.57Å; M244-R253 VanDerWaalsContact SD-CG 3.57Å; F249-R253 PolarHBondContact O-N 3.19Å; E250-R253 PolarHBondContact O-N 3.47Å; P251-R253 VanDerWaalsContact C-N 3.34Å; R253-L255 VanDerWaalsContact C-N 3.35Å; R253-L255 PolarHBondContact O-N 2.49Å; R253-V256 PolarHBondContact O-N 2.99Å; R253-C257 WeakPolarHBondContact O-CB 3.27Å; R253-C257 PolarHBondContact O-N 2.84Å; R253-C257 PolarHBondContact O-SG 2.82Å; R253-C257 VanDerWaalsContact O-SG 3.32Å |
| 254 | K | 90.3 | Very high | 83 | Confident | 64 Ų | 64 | 39.1 Ų | 39.1 | 28% | 0.278 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -59.5 | -45.7 | 178.4 | -74.7 | 171.3 | 172.4 | 171.1 | 0 | 111.7 | L213 E250 P251 L252 G258 P315 | L213-K254 HydrophobicContact CD2-CG 4.38Å; E250-K254 PolarHBondContact O-N 2.55Å; E250-K254 WeakPolarHBondContact OE1-CE 3.49Å; E250-K254 IonicContact OE1-NZ 2.8Å; E250-K254 PolarHBondContact OE1-NZ 2.82Å; P251-K254 PolarHBondContact O-N 3.42Å; L252-K254 PolarHBondContact O-N 3.36Å; K254-G258 PolarHBondContact O-N 2.83Å; K254-P315 HydrophobicContact CB-CB 4.27Å; K254-P315 VanDerWaalsContact CD-O 3.23Å; K254-P315 WeakPolarHBondContact CD-O 3.33Å; K254-P315 WeakPolarHBondContact CG-O 3.35Å; K254-P315 WeakPolarHBondContact O-CB 3.44Å |
| 255 | L | 91.1 | Very high | 83.7 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.9 | -55.5 | 177 | 177.4 | 63.9 | 0 | 0 | 0 | 111.7 | P251 L252 R253 C257 G258 M259 P273 V277 C278 A281 W296 F298 L303 | P251-L255 PolarHBondContact O-N 3.03Å; P251-L255 VanDerWaalsContact O-N 3.1Å; L252-L255 PolarHBondContact O-N 2.92Å; R253-L255 VanDerWaalsContact C-N 3.35Å; R253-L255 PolarHBondContact O-N 2.49Å; L255-C257 PolarHBondContact O-N 2.95Å; L255-G258 PolarHBondContact O-N 2.9Å; L255-M259 HydrophobicContact CD1-CG 4.18Å; L255-M259 HydrophobicContact CD1-SD 4.02Å; L255-M259 HydrophobicContact CG-SD 4.15Å; L255-M259 WeakPolarHBondContact O-CG 3.03Å; L255-M259 PolarHBondContact O-N 2.72Å; L255-P273 HydrophobicContact CD1-CB 4.3Å; L255-V277 HydrophobicContact CB-CG1 4.43Å; L255-V277 HydrophobicContact CD1-CG1 4.47Å; L255-C278 HydrophobicContact CD1-CB 3.67Å; L255-C278 HydrophobicContact CD2-CB 4.18Å; L255-A281 HydrophobicContact CB-CB 4.18Å; L255-A281 HydrophobicContact CD2-CB 4.04Å; L255-W296 HydrophobicContact CD2-CH2 3.69Å; L255-W296 HydrophobicContact CD2-CZ2 3.55Å; L255-F298 HydrophobicContact CD2-CD2 3.68Å; L255-F298 HydrophobicContact CD2-CE2 4.18Å; L255-F298 HydrophobicContact CD2-CG 4.25Å; L255-L303 HydrophobicContact CD1-CD1 4.3Å |
| 256 | V | 90.9 | Very high | 83.7 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.2 | -47.5 | -175.1 | 171.4 | 0 | 0 | 0 | 0 | 110.6 | L237 Y240 L252 R253 G258 M259 F260 F298 | L237-V256 HydrophobicContact CD2-CG1 3.29Å; Y240-V256 HydrophobicContact CD2-CG1 4.34Å; Y240-V256 HydrophobicContact CG-CG1 4.34Å; L252-V256 HydrophobicContact CD1-CG2 3.85Å; L252-V256 HydrophobicContact CG-CG2 4.11Å; L252-V256 WeakPolarHBondContact O-CB 3.41Å; L252-V256 VanDerWaalsContact O-CG2 3.25Å; L252-V256 WeakPolarHBondContact O-CG2 3.32Å; L252-V256 PolarHBondContact O-N 3.26Å; R253-V256 PolarHBondContact O-N 2.99Å; V256-G258 VanDerWaalsContact C-N 3.33Å; V256-G258 PolarHBondContact O-N 2.8Å; V256-M259 PolarHBondContact O-N 2.8Å; V256-F260 HydrophobicContact CG1-CD2 4.14Å; V256-F260 HydrophobicContact CG1-CE2 4.32Å; V256-F260 VanDerWaalsContact O-CD2 3.26Å; V256-F260 WeakPolarHBondContact O-CD2 3.15Å; V256-F260 PolarHBondContact O-N 3.47Å; V256-F298 HydrophobicContact CG2-CE2 3.8Å; V256-F298 HydrophobicContact CG2-CZ 3.75Å |
| 257 | C | 92.5 | Very high | 83.3 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63 | -40.3 | 176.4 | -70.8 | 0 | 0 | 0 | 0 | 111.9 | C210 L213 R253 L255 M259 F260 L261 | C210-C257 WeakPolarHBondContact CA-SG 3.46Å; C210-C257 HydrophobicContact CB-CB 3.58Å; C210-C257 WeakPolarHBondContact CB-SG 3.34Å; C210-C257 VanDerWaalsContact SG-CA 3.56Å; C210-C257 WeakPolarHBondContact SG-CB 3.37Å; C210-C257 CovalentContact SG-SG 2.03Å; C210-C257 PolarHBondContact SG-SG 3.27Å; L213-C257 HydrophobicContact CD1-CB 3.87Å; L213-C257 HydrophobicContact CD2-CB 4.12Å; R253-C257 WeakPolarHBondContact O-CB 3.27Å; R253-C257 PolarHBondContact O-N 2.84Å; R253-C257 PolarHBondContact O-SG 2.82Å; R253-C257 VanDerWaalsContact O-SG 3.32Å; L255-C257 PolarHBondContact O-N 2.95Å; C257-M259 VanDerWaalsContact C-N 3.32Å; C257-M259 PolarHBondContact O-N 2.7Å; C257-F260 PolarHBondContact O-N 2.84Å; C257-L261 WeakPolarHBondContact O-CA 3.42Å; C257-L261 WeakPolarHBondContact O-CB 3.38Å; C257-L261 PolarHBondContact O-N 2.8Å |
| 258 | G | 92.1 | Very high | 83.6 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66 | -30.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y215 K254 L255 V256 P262 P273 | Y215-G258 WeakPolarHBondContact OH-CA 3.22Å; K254-G258 PolarHBondContact O-N 2.83Å; L255-G258 PolarHBondContact O-N 2.9Å; V256-G258 VanDerWaalsContact C-N 3.33Å; V256-G258 PolarHBondContact O-N 2.8Å; G258-P262 VanDerWaalsContact O-CA 3.25Å; G258-P262 WeakPolarHBondContact O-CA 3.46Å; G258-P273 WeakPolarHBondContact O-CD 3.26Å |
| 259 | M | 91.1 | Very high | 83.9 | Confident | 15 Ų | 15 | 33.3 Ų | 33.3 | 7% | 0.074 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -75.6 | -38.6 | 175 | -71.7 | -177 | 69.4 | 0 | 0 | 112.3 | N222 L255 V256 C257 P273 F298 | N222-M259 PolarHBondContact ND2-O 2.03Å; L255-M259 HydrophobicContact CD1-CG 4.18Å; L255-M259 HydrophobicContact CD1-SD 4.02Å; L255-M259 HydrophobicContact CG-SD 4.15Å; L255-M259 WeakPolarHBondContact O-CG 3.03Å; L255-M259 PolarHBondContact O-N 2.72Å; V256-M259 PolarHBondContact O-N 2.8Å; C257-M259 VanDerWaalsContact C-N 3.32Å; C257-M259 PolarHBondContact O-N 2.7Å; M259-P273 HydrophobicContact CG-CG 4Å; M259-F298 HydrophobicContact CE-CD1 3.72Å; M259-F298 HydrophobicContact CE-CE1 4.03Å; M259-F298 HydrophobicContact SD-CD1 3.56Å; M259-F298 VanDerWaalsContact SD-CD1 3.56Å; M259-F298 HydrophobicContact SD-CE1 3.76Å; M259-F298 HydrophobicContact SD-CG 4.1Å; M259-F298 HydrophobicContact SD-CZ 4.45Å |
| 260 | F | 92.3 | Very high | 84.1 | Confident | 17 Ų | 17 | 35 Ų | 35 | 8% | 0.075 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -84.8 | -33.3 | -176.5 | -81.9 | -106.5 | 0 | 0 | 0 | 113 | F220 N222 L225 I227 L236 L237 Y240 V256 C257 | F220-F260 VanDerWaalsContact CZ-O 3.24Å; F220-F260 WeakPolarHBondContact CZ-O 3.2Å; N222-F260 PolarHBondContact ND2-O 2.79Å; L225-F260 HydrophobicContact CD1-CD1 4.13Å; L225-F260 HydrophobicContact CD1-CD2 3.74Å; L225-F260 HydrophobicContact CD1-CE1 4.15Å; L225-F260 HydrophobicContact CD1-CE2 3.8Å; L225-F260 HydrophobicContact CD1-CG 3.93Å; L225-F260 HydrophobicContact CD1-CZ 4.01Å; I227-F260 HydrophobicContact CD1-CD1 3.52Å; I227-F260 HydrophobicContact CD1-CE1 3.79Å; I227-F260 HydrophobicContact CD1-CG 4.38Å; L236-F260 HydrophobicContact CB-CD1 4.36Å; L236-F260 HydrophobicContact CB-CE1 3.64Å; L236-F260 HydrophobicContact CD1-CE1 4.09Å; L237-F260 HydrophobicContact CD1-CB 3.96Å; L237-F260 HydrophobicContact CD1-CD1 4.46Å; L237-F260 HydrophobicContact CD1-CG 4.34Å; L237-F260 HydrophobicContact CD2-CB 3.93Å; L237-F260 HydrophobicContact CD2-CD1 3.93Å; L237-F260 HydrophobicContact CD2-CD2 3.81Å; L237-F260 HydrophobicContact CD2-CE1 4.42Å; L237-F260 HydrophobicContact CD2-CE2 4.29Å; L237-F260 HydrophobicContact CD2-CG 3.6Å; L237-F260 HydrophobicContact CG-CB 4.07Å; L237-F260 HydrophobicContact CG-CD1 3.79Å; L237-F260 HydrophobicContact CG-CE1 4.4Å; L237-F260 HydrophobicContact CG-CG 3.88Å; Y240-F260 HydrophobicContact CE2-CZ 4.37Å; V256-F260 HydrophobicContact CG1-CD2 4.14Å; V256-F260 HydrophobicContact CG1-CE2 4.32Å; V256-F260 VanDerWaalsContact O-CD2 3.26Å; V256-F260 WeakPolarHBondContact O-CD2 3.15Å; V256-F260 PolarHBondContact O-N 3.47Å; C257-F260 PolarHBondContact O-N 2.84Å |
| 261 | L | 92.4 | Very high | 84.3 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -126.8 | 63.7 | -177.4 | -61.8 | 154.1 | 0 | 0 | 0 | 109.3 | I205 V207 C210 Y215 T218 F220 Q230 A233 L237 C257 | I205-L261 HydrophobicContact CG2-CD1 4.04Å; V207-L261 HydrophobicContact CB-CD1 3.77Å; V207-L261 HydrophobicContact CG1-CD1 4.25Å; V207-L261 HydrophobicContact CG2-CD1 3.87Å; V207-L261 HydrophobicContact CG2-CD2 3.8Å; V207-L261 HydrophobicContact CG2-CG 4.44Å; C210-L261 HydrophobicContact CB-CD1 3.34Å; C210-L261 VanDerWaalsContact SG-CD1 3.58Å; Y215-L261 WeakPolarHBondContact CE2-O 2.94Å; Y215-L261 PolarHBondContact OH-O 3.33Å; T218-L261 HydrophobicContact CG2-CD2 4.27Å; T218-L261 PolarHBondContact OG1-O 3.09Å; F220-L261 HydrophobicContact CE2-CD2 3.73Å; F220-L261 HydrophobicContact CZ-CD2 3.79Å; Q230-L261 HydrophobicContact CB-CD2 4.36Å; Q230-L261 HydrophobicContact CG-CD2 3.84Å; A233-L261 HydrophobicContact CB-CD2 4.32Å; L237-L261 HydrophobicContact CD1-CD1 4.22Å; C257-L261 WeakPolarHBondContact O-CA 3.42Å; C257-L261 WeakPolarHBondContact O-CB 3.38Å; C257-L261 PolarHBondContact O-N 2.8Å |
| 262 | P | 91.3 | Very high | 84.4 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | P | Polyproline II helix | trans | -61.3 | 152 | -171.7 | 29.3 | -37.6 | 0 | 0 | 0 | 112 | T218 G258 C264 V270 | T218-P262 VanDerWaalsContact CA-O 3.3Å; T218-P262 WeakPolarHBondContact CA-O 2.96Å; T218-P262 WeakPolarHBondContact CB-O 3.01Å; T218-P262 PolarHBondContact OG1-O 3.41Å; G258-P262 VanDerWaalsContact O-CA 3.25Å; G258-P262 WeakPolarHBondContact O-CA 3.46Å; P262-C264 PolarHBondContact O-N 2.75Å; P262-V270 HydrophobicContact CB-CB 3.95Å; P262-V270 HydrophobicContact CB-CG1 4.48Å; P262-V270 HydrophobicContact CG-CB 3.72Å; P262-V270 HydrophobicContact CG-CG1 3.83Å; P262-V270 HydrophobicContact CG-CG2 4.2Å |
| 263 | Q | 90.5 | Very high | 84.6 | Confident | 50 Ų | 50 | 30.7 Ų | 30.7 | 23% | 0.234 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 134.8 | -176.6 | 177.3 | 177.8 | -3.4 | 0 | 0 | 110.7 | Y215 S265 V270 L271 | Y215-Q263 HydrophobicContact CD1-CB 3.83Å; Y215-Q263 HydrophobicContact CD1-CG 4Å; Y215-Q263 HydrophobicContact CD2-CB 3.81Å; Y215-Q263 HydrophobicContact CD2-CG 3.96Å; Y215-Q263 HydrophobicContact CE1-CB 3.84Å; Y215-Q263 HydrophobicContact CE2-CB 3.81Å; Y215-Q263 HydrophobicContact CE2-CG 4.47Å; Y215-Q263 HydrophobicContact CG-CB 3.82Å; Y215-Q263 HydrophobicContact CG-CG 3.7Å; Q263-S265 PolarHBondContact O-N 3.41Å; Q263-V270 CarbonylContact O-C 3.6Å; Q263-V270 WeakPolarHBondContact O-CA 3.43Å; Q263-L271 HydrophobicContact CB-CB 4.24Å; Q263-L271 PolarHBondContact N-O 3.21Å; Q263-L271 PolarHBondContact O-N 3.03Å |
| 264 | C | 87.6 | Confident | 84.8 | Confident | 10 Ų | 10 | 27 Ų | 27 | 7% | 0.068 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 129.7 | 173.7 | -166.6 | 0 | 0 | 0 | 0 | 111.3 | C202 F217 P262 | C202-C264 WeakPolarHBondContact CA-SG 3.48Å; C202-C264 HydrophobicContact CB-CB 3.67Å; C202-C264 WeakPolarHBondContact CB-SG 3.34Å; C202-C264 WeakPolarHBondContact SG-CB 3.36Å; C202-C264 CovalentContact SG-SG 2.03Å; C202-C264 PolarHBondContact SG-SG 3.35Å; F217-C264 HydrophobicContact CB-CB 4.22Å; F217-C264 PolarHBondContact O-N 2.85Å; P262-C264 PolarHBondContact O-N 2.75Å |
| 265 | S | 80.1 | Confident | 84.9 | Confident | 8 Ų | 8 | 26.6 Ų | 26.6 | 6% | 0.056 | 15% | 0.15 | C | C | . | . | P | Polyproline II helix | trans | -82.1 | 139.4 | 176.4 | 177.4 | 0 | 0 | 0 | 0 | 111.7 | Q263 Q267 G268 G269 | Q263-S265 PolarHBondContact O-N 3.41Å; S265-Q267 PolarHBondContact O-N 3.45Å; S265-Q267 VanDerWaalsContact O-N 3.17Å; S265-Q267 PolarHBondContact OG-N 3.49Å; S265-G268 WeakPolarHBondContact CB-O 3.1Å; S265-G268 PolarHBondContact O-N 2.68Å; S265-G269 PolarHBondContact N-O 2.82Å |
| 266 | P | 65.9 | Low | 85 | Confident | 125 Ų | 125 | 29.4 Ų | 29.4 | 81% | 0.812 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -18.1 | 172.6 | -19.1 | 30.7 | 0 | 0 | 0 | 114.4 | ||
| 267 | Q | 61.4 | Low | 85 | Confident | 151 Ų | 151 | 30.5 Ų | 30.5 | 71% | 0.706 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.9 | 3 | -175.7 | -66.5 | 153.8 | 18 | 0 | 0 | 112.6 | S265 | S265-Q267 PolarHBondContact O-N 3.45Å; S265-Q267 VanDerWaalsContact O-N 3.17Å; S265-Q267 PolarHBondContact OG-N 3.49Å |
| 268 | G | 61.6 | Low | 85 | Confident | 39 Ų | 39 | 30.5 Ų | 30.5 | 40% | 0.402 | 18% | 0.176 | S | C | . | . | S | Bend | trans | 99.4 | 140.1 | -169.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | S265 | S265-G268 WeakPolarHBondContact CB-O 3.1Å; S265-G268 PolarHBondContact O-N 2.68Å |
| 269 | G | 69.8 | Low | 84.9 | Confident | 6 Ų | 6 | 32.4 Ų | 32.4 | 6% | 0.062 | 19% | 0.19 | C | C | . | . | S | Bend | trans | 93.3 | -167.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | W178 S265 | W178-G269 VanDerWaalsContact CH2-CA 3.44Å; S265-G269 PolarHBondContact N-O 2.82Å |
| 270 | V | 81.3 | Confident | 84.9 | Confident | 41 Ų | 41 | 34 Ų | 34 | 25% | 0.248 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 139.4 | -173.7 | -68 | 0 | 0 | 0 | 0 | 111.6 | S219 P262 Q263 | S219-V270 VanDerWaalsContact O-CG1 3.23Å; S219-V270 WeakPolarHBondContact O-CG1 3.48Å; P262-V270 HydrophobicContact CB-CB 3.95Å; P262-V270 HydrophobicContact CB-CG1 4.48Å; P262-V270 HydrophobicContact CG-CB 3.72Å; P262-V270 HydrophobicContact CG-CG1 3.83Å; P262-V270 HydrophobicContact CG-CG2 4.2Å; Q263-V270 CarbonylContact O-C 3.6Å; Q263-V270 WeakPolarHBondContact O-CA 3.43Å |
| 271 | L | 86.3 | Confident | 84.8 | Confident | 12 Ų | 12 | 33.2 Ų | 33.2 | 6% | 0.063 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 107.4 | 176.6 | -58.9 | 178.1 | 0 | 0 | 0 | 109.7 | Q263 P309 V310 S313 | Q263-L271 HydrophobicContact CB-CB 4.24Å; Q263-L271 PolarHBondContact N-O 3.21Å; Q263-L271 PolarHBondContact O-N 3.03Å; L271-P309 WeakPolarHBondContact CD1-O 3.24Å; L271-V310 WeakPolarHBondContact CD2-O 3.3Å; L271-S313 PolarHBondContact O-OG 2.75Å |
| 272 | Q | 88.4 | Confident | 84.5 | Confident | 29 Ų | 29 | 36.7 Ų | 36.7 | 14% | 0.136 | 22% | 0.215 | C | C | . | . | P | Polyproline II helix | trans | -65.6 | 155.4 | 172.7 | -64.5 | -63.4 | -35.5 | 0 | 0 | 110.9 | L303 C312 S313 | Q272-L303 HydrophobicContact CB-CD2 4.44Å; Q272-C312 CarbonylContact O-C 3.53Å; Q272-C312 WeakPolarHBondContact O-CA 3.34Å; Q272-C312 WeakPolarHBondContact O-CB 3.43Å; Q272-S313 PolarHBondContact O-N 3.21Å; Q272-S313 PolarHBondContact O-OG 3.27Å |
| 273 | P | 92.1 | Very high | 84.4 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 25% | 0.251 | C | S | . | . | B | Isolated β-bridge | trans | -61.4 | 143.4 | 177.5 | -23.5 | 35.1 | 0 | 0 | 0 | 112.1 | L255 G258 M259 V277 S313 P315 | L255-P273 HydrophobicContact CD1-CB 4.3Å; G258-P273 WeakPolarHBondContact O-CD 3.26Å; M259-P273 HydrophobicContact CG-CG 4Å; P273-V277 HydrophobicContact CB-CB 4.46Å; P273-S313 WeakPolarHBondContact CA-O 3.24Å; P273-P315 HydrophobicContact CB-CG 4.5Å; P273-P315 HydrophobicContact CG-CG 4.44Å |
| 274 | C | 92.4 | Very high | 84.2 | Confident | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.007 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -64.5 | 150.7 | 173.6 | -54.3 | 0 | 0 | 0 | 0 | 111.3 | S276 V277 C278 C312 S313 | C274-S276 PolarHBondContact O-N 2.88Å; C274-V277 HydrophobicContact CB-CG2 4.29Å; C274-V277 WeakPolarHBondContact O-CB 3.34Å; C274-V277 PolarHBondContact O-N 2.8Å; C274-C278 PolarHBondContact O-N 2.82Å; C274-C312 VanDerWaalsContact CA-SG 3.53Å; C274-C312 HydrophobicContact CB-CB 3.91Å; C274-C312 WeakPolarHBondContact CB-SG 3.17Å; C274-C312 VanDerWaalsContact SG-C 3.53Å; C274-C312 WeakPolarHBondContact SG-CB 3.01Å; C274-C312 CovalentContact SG-SG 2.03Å; C274-C312 PolarHBondContact SG-SG 1.99Å; C274-S313 PolarHBondContact N-O 3.4Å; C274-S313 PolarHBondContact SG-O 2.6Å; C274-S313 VanDerWaalsContact SG-O 3.34Å |
| 275 | R | 92.1 | Very high | 83.9 | Confident | 54 Ų | 54 | 47.1 Ų | 47.1 | 20% | 0.204 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -50.8 | -39.9 | 173 | 178.5 | -178.2 | -55.5 | -114.5 | -11.2 | 112.7 | V277 C278 S279 H301 L303 P304 | R275-V277 VanDerWaalsContact C-N 3.27Å; R275-V277 PolarHBondContact O-N 2.84Å; R275-C278 PolarHBondContact O-N 3.34Å; R275-C278 VanDerWaalsContact O-N 3.12Å; R275-S279 PolarHBondContact O-N 3.38Å; R275-S279 PolarHBondContact O-OG 2.81Å; R275-H301 VanDerWaalsContact NH1-CA 3.3Å; R275-H301 PolarHBondContact NH1-ND1 3.08Å; R275-H301 PolarHBondContact NH2-O 3.2Å; R275-L303 HydrophobicContact CB-CB 4.32Å; R275-L303 PolarHBondContact NE-O 3.08Å; R275-L303 PolarHBondContact NH2-O 2.88Å; R275-P304 WeakPolarHBondContact CB-O 2.97Å; R275-P304 PolarHBondContact N-O 3.18Å |
| 276 | S | 92.3 | Very high | 83.8 | Confident | 59 Ų | 59 | 48.5 Ų | 48.5 | 41% | 0.413 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -57.9 | -37.2 | 178 | 57.6 | 0 | 0 | 0 | 0 | 113.1 | C274 S280 | C274-S276 PolarHBondContact O-N 2.88Å; S276-S280 WeakPolarHBondContact O-CB 3.01Å; S276-S280 PolarHBondContact O-N 2.86Å |
| 277 | V | 92.1 | Very high | 84.5 | Confident | 23 Ų | 23 | 50 Ų | 50 | 14% | 0.139 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.2 | -46.1 | 176.2 | -178.8 | 0 | 0 | 0 | 0 | 109.8 | L255 P273 C274 R275 S280 A281 Q314 | L255-V277 HydrophobicContact CB-CG1 4.43Å; L255-V277 HydrophobicContact CD1-CG1 4.47Å; P273-V277 HydrophobicContact CB-CB 4.46Å; C274-V277 HydrophobicContact CB-CG2 4.29Å; C274-V277 WeakPolarHBondContact O-CB 3.34Å; C274-V277 PolarHBondContact O-N 2.8Å; R275-V277 VanDerWaalsContact C-N 3.27Å; R275-V277 PolarHBondContact O-N 2.84Å; V277-S280 PolarHBondContact O-N 2.96Å; V277-A281 WeakPolarHBondContact O-CB 3.37Å; V277-A281 PolarHBondContact O-N 2.82Å; V277-Q314 HydrophobicContact CG2-CB 4.47Å; V277-Q314 HydrophobicContact CG2-CG 4.24Å |
| 278 | C | 91.6 | Very high | 85.3 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.007 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.3 | -49.8 | 179 | -175.6 | 0 | 0 | 0 | 0 | 112.2 | L255 C274 R275 S280 A281 E282 C300 L303 | L255-C278 HydrophobicContact CD1-CB 3.67Å; L255-C278 HydrophobicContact CD2-CB 4.18Å; C274-C278 PolarHBondContact O-N 2.82Å; R275-C278 PolarHBondContact O-N 3.34Å; R275-C278 VanDerWaalsContact O-N 3.12Å; C278-S280 VanDerWaalsContact C-N 3.28Å; C278-S280 PolarHBondContact O-N 3.41Å; C278-A281 PolarHBondContact O-N 3.18Å; C278-A281 VanDerWaalsContact O-N 3.15Å; C278-E282 WeakPolarHBondContact O-CB 3.48Å; C278-E282 PolarHBondContact O-N 2.76Å; C278-C300 HydrophobicContact CB-CB 3.65Å; C278-C300 WeakPolarHBondContact CB-SG 3.32Å; C278-C300 WeakPolarHBondContact SG-CA 3.27Å; C278-C300 WeakPolarHBondContact SG-CB 3.39Å; C278-C300 CovalentContact SG-SG 2.04Å; C278-C300 PolarHBondContact SG-SG 3.47Å; C278-L303 HydrophobicContact CB-CD1 3.44Å; C278-L303 VanDerWaalsContact CB-CD1 3.44Å |
| 279 | S | 90.9 | Very high | 85.9 | Confident | 40 Ų | 40 | 42.4 Ų | 42.4 | 28% | 0.28 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62.8 | -36 | 179 | -60.8 | 0 | 0 | 0 | 0 | 112.3 | R275 E282 Q283 | R275-S279 PolarHBondContact O-N 3.38Å; R275-S279 PolarHBondContact O-OG 2.81Å; S279-E282 PolarHBondContact O-N 3.43Å; S279-Q283 WeakPolarHBondContact O-CB 3.47Å; S279-Q283 WeakPolarHBondContact O-CG 3.44Å; S279-Q283 PolarHBondContact O-N 2.78Å |
| 280 | S | 90.3 | Very high | 86.1 | Confident | 49 Ų | 49 | 47.1 Ų | 47.1 | 34% | 0.343 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -66.9 | -40.3 | 175.2 | -173.4 | 0 | 0 | 0 | 0 | 112.1 | S276 V277 C278 Q284 | S276-S280 WeakPolarHBondContact O-CB 3.01Å; S276-S280 PolarHBondContact O-N 2.86Å; V277-S280 PolarHBondContact O-N 2.96Å; C278-S280 VanDerWaalsContact C-N 3.28Å; C278-S280 PolarHBondContact O-N 3.41Å; S280-Q284 WeakPolarHBondContact O-CG 3.4Å; S280-Q284 PolarHBondContact O-N 3.46Å; S280-Q284 PolarHBondContact O-NE2 3.26Å; S280-Q284 VanDerWaalsContact O-NE2 3.13Å; S280-Q284 PolarHBondContact OG-NE2 2.97Å |
| 281 | A | 89.4 | Confident | 85.8 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -68.5 | -40.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | P251 L255 V277 C278 Q284 C285 W296 | P251-A281 HydrophobicContact CB-CB 4.01Å; L255-A281 HydrophobicContact CB-CB 4.18Å; L255-A281 HydrophobicContact CD2-CB 4.04Å; V277-A281 WeakPolarHBondContact O-CB 3.37Å; V277-A281 PolarHBondContact O-N 2.82Å; C278-A281 PolarHBondContact O-N 3.18Å; C278-A281 VanDerWaalsContact O-N 3.15Å; A281-Q284 PolarHBondContact O-N 3.34Å; A281-C285 WeakPolarHBondContact O-CB 3.42Å; A281-C285 PolarHBondContact O-N 3.31Å; A281-W296 HydrophobicContact CB-CH2 3.72Å; A281-W296 HydrophobicContact CB-CZ2 4.42Å |
| 282 | E | 87.8 | Confident | 85.1 | Confident | 72 Ų | 72 | 56.7 Ų | 56.7 | 34% | 0.336 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.1 | -48.6 | 176.1 | -174.7 | 176.8 | -165.7 | 0 | 0 | 111.3 | C278 S279 Q284 C285 S286 W296 | C278-E282 WeakPolarHBondContact O-CB 3.48Å; C278-E282 PolarHBondContact O-N 2.76Å; S279-E282 PolarHBondContact O-N 3.43Å; E282-Q284 VanDerWaalsContact C-N 3.27Å; E282-Q284 PolarHBondContact O-N 3.28Å; E282-C285 PolarHBondContact O-N 2.88Å; E282-S286 WeakPolarHBondContact O-CB 3.42Å; E282-S286 PolarHBondContact O-N 2.91Å; E282-S286 PolarHBondContact O-OG 3.15Å; E282-W296 HydrophobicContact CB-CD2 4.08Å; E282-W296 HydrophobicContact CB-CE3 4.47Å; E282-W296 HydrophobicContact CB-CH2 4.14Å; E282-W296 HydrophobicContact CB-CZ2 3.65Å; E282-W296 HydrophobicContact CG-CD2 3.92Å; E282-W296 HydrophobicContact CG-CG 4.04Å; E282-W296 HydrophobicContact CG-CZ2 4.36Å; E282-W296 VanDerWaalsContact N-CH2 3.34Å |
| 283 | Q | 88.4 | Confident | 84.3 | Confident | 162 Ų | 162 | 60.8 Ų | 60.8 | 76% | 0.757 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -61.3 | -34.7 | 178.9 | -76.7 | 179.3 | -5.2 | 0 | 0 | 113.2 | S279 | S279-Q283 WeakPolarHBondContact O-CB 3.47Å; S279-Q283 WeakPolarHBondContact O-CG 3.44Å; S279-Q283 PolarHBondContact O-N 2.78Å |
| 284 | Q | 86.1 | Confident | 83.4 | Confident | 116 Ų | 116 | 66.1 Ų | 66.1 | 54% | 0.542 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -88.1 | -27.2 | -176.4 | -70.9 | 177.6 | 73.3 | 0 | 0 | 113.2 | P251 S280 A281 E282 | P251-Q284 HydrophobicContact CG-CB 4.43Å; S280-Q284 WeakPolarHBondContact O-CG 3.4Å; S280-Q284 PolarHBondContact O-N 3.46Å; S280-Q284 PolarHBondContact O-NE2 3.26Å; S280-Q284 VanDerWaalsContact O-NE2 3.13Å; S280-Q284 PolarHBondContact OG-NE2 2.97Å; A281-Q284 PolarHBondContact O-N 3.34Å; E282-Q284 VanDerWaalsContact C-N 3.27Å; E282-Q284 PolarHBondContact O-N 3.28Å |
| 285 | C | 81.7 | Confident | 82.6 | Confident | 1 Ų | 1 | 70.7 Ų | 70.7 | 1% | 0.007 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -115.4 | -21.6 | -169.3 | -61.3 | 0 | 0 | 0 | 0 | 114.3 | F249 A281 E282 Q287 A288 L289 W296 | F249-C285 HydrophobicContact CD1-CB 4.03Å; F249-C285 HydrophobicContact CE1-CB 3.86Å; A281-C285 WeakPolarHBondContact O-CB 3.42Å; A281-C285 PolarHBondContact O-N 3.31Å; E282-C285 PolarHBondContact O-N 2.88Å; C285-Q287 PolarHBondContact O-N 3.35Å; C285-A288 PolarHBondContact O-N 3.01Å; C285-L289 WeakPolarHBondContact O-CG 3.49Å; C285-L289 PolarHBondContact O-N 3.14Å; C285-W296 HydrophobicContact CB-CZ3 4.09Å |
| 286 | S | 78.6 | Confident | 82 | Confident | 37 Ų | 37 | 70.1 Ų | 70.1 | 26% | 0.259 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -51.6 | -52.7 | -179.2 | 51 | 0 | 0 | 0 | 0 | 112.2 | E282 A288 L289 D290 | E282-S286 WeakPolarHBondContact O-CB 3.42Å; E282-S286 PolarHBondContact O-N 2.91Å; E282-S286 PolarHBondContact O-OG 3.15Å; S286-A288 PolarHBondContact O-N 3.46Å; S286-L289 PolarHBondContact O-N 3.35Å; S286-L289 VanDerWaalsContact O-N 3.12Å; S286-D290 PolarHBondContact O-N 2.82Å |
| 287 | Q | 79.5 | Confident | 81.2 | Confident | 156 Ų | 156 | 70.7 Ų | 70.7 | 73% | 0.729 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -62.5 | -30.9 | 179.9 | -167.4 | 175.3 | 26.4 | 0 | 0 | 113 | C285 L291 | C285-Q287 PolarHBondContact O-N 3.35Å; Q287-L291 WeakPolarHBondContact O-CG 3.35Å |
| 288 | A | 77.6 | Confident | 80.8 | Confident | 27 Ų | 27 | 70.7 Ų | 70.7 | 22% | 0.223 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -77.1 | -34.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | F249 C285 S286 L291 F292 | F249-A288 HydrophobicContact CE1-CB 4.24Å; F249-A288 HydrophobicContact CE2-CB 4.34Å; F249-A288 HydrophobicContact CZ-CB 3.6Å; C285-A288 PolarHBondContact O-N 3.01Å; S286-A288 PolarHBondContact O-N 3.46Å; A288-L291 WeakPolarHBondContact O-CB 3.27Å; A288-L291 PolarHBondContact O-N 3.06Å; A288-F292 WeakPolarHBondContact O-CD2 2.97Å |
| 289 | L | 75 | Confident | 80.4 | Confident | 5 Ų | 5 | 75 Ų | 75 | 3% | 0.026 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -68.1 | -37 | 174.4 | -68 | 173.5 | 0 | 0 | 0 | 111.7 | L243 F249 C285 S286 L291 F292 S293 F294 W296 | L243-L289 HydrophobicContact CD1-CD2 3.95Å; L243-L289 HydrophobicContact CD2-CD2 3.78Å; L243-L289 HydrophobicContact CG-CD2 4.42Å; F249-L289 HydrophobicContact CE1-CD2 4.07Å; F249-L289 HydrophobicContact CE1-CG 4.27Å; C285-L289 WeakPolarHBondContact O-CG 3.49Å; C285-L289 PolarHBondContact O-N 3.14Å; S286-L289 PolarHBondContact O-N 3.35Å; S286-L289 VanDerWaalsContact O-N 3.12Å; L289-L291 VanDerWaalsContact C-N 3.26Å; L289-L291 PolarHBondContact O-N 2.98Å; L289-F292 CarbonylContact O-C 3.55Å; L289-F292 WeakPolarHBondContact O-CA 3.5Å; L289-F292 PolarHBondContact O-N 3.08Å; L289-S293 PolarHBondContact O-N 3.17Å; L289-S293 VanDerWaalsContact O-N 3.16Å; L289-F294 CarbonylContact C-O 3.51Å; L289-F294 VanDerWaalsContact C-O 3.24Å; L289-F294 HydrophobicContact CB-CB 4.19Å; L289-F294 WeakPolarHBondContact CB-O 3.38Å; L289-F294 HydrophobicContact CD2-CB 4.36Å; L289-F294 PolarHBondContact O-N 3.44Å; L289-W296 HydrophobicContact CD1-CE3 3.67Å; L289-W296 HydrophobicContact CD1-CZ3 4.11Å |
| 290 | D | 74.8 | Confident | 80.2 | Confident | 104 Ų | 104 | 73.3 Ų | 73.3 | 56% | 0.556 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -58.6 | -37.2 | 174.2 | -72.7 | -24.2 | 0 | 0 | 0 | 112 | S286 F292 S293 | S286-D290 PolarHBondContact O-N 2.82Å; D290-F292 PolarHBondContact O-N 2.97Å; D290-S293 PolarHBondContact O-N 2.65Å |
| 291 | L | 75 | Confident | 80.1 | Confident | 141 Ų | 141 | 77.8 Ų | 77.8 | 74% | 0.738 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -62 | -25.6 | 175.7 | -67.9 | 172.9 | 0 | 0 | 0 | 112.9 | Q287 A288 L289 | Q287-L291 WeakPolarHBondContact O-CG 3.35Å; A288-L291 WeakPolarHBondContact O-CB 3.27Å; A288-L291 PolarHBondContact O-N 3.06Å; L289-L291 VanDerWaalsContact C-N 3.26Å; L289-L291 PolarHBondContact O-N 2.98Å |
| 292 | F | 70.4 | Confident | 79.8 | Confident | 114 Ų | 114 | 82.9 Ų | 82.9 | 50% | 0.5 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | 11.7 | 175.8 | -64.1 | -74.3 | 0 | 0 | 0 | 112.7 | L246 A288 L289 D290 F294 | L246-F292 HydrophobicContact CD1-CE2 4.16Å; L246-F292 HydrophobicContact CD1-CZ 4.27Å; A288-F292 WeakPolarHBondContact O-CD2 2.97Å; L289-F292 CarbonylContact O-C 3.55Å; L289-F292 WeakPolarHBondContact O-CA 3.5Å; L289-F292 PolarHBondContact O-N 3.08Å; D290-F292 PolarHBondContact O-N 2.97Å; F292-F294 HydrophobicContact CB-CD2 3.72Å; F292-F294 HydrophobicContact CB-CE2 4.11Å; F292-F294 WeakPolarHBondContact O-CD2 3.24Å; F292-F294 PolarHBondContact O-N 3.14Å |
| 293 | S | 73.2 | Confident | 79.7 | Confident | 114 Ų | 114 | 79.9 Ų | 79.9 | 80% | 0.797 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.5 | 28.7 | -178.2 | -51 | 0 | 0 | 0 | 0 | 114.2 | L289 D290 | L289-S293 PolarHBondContact O-N 3.17Å; L289-S293 VanDerWaalsContact O-N 3.16Å; D290-S293 PolarHBondContact O-N 2.65Å |
| 294 | F | 72 | Confident | 79.6 | Confident | 112 Ų | 112 | 74.5 Ų | 74.5 | 49% | 0.491 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -101.5 | 127.9 | 170.8 | -70 | -70.1 | 0 | 0 | 0 | 109.7 | L243 L289 F292 | L243-F294 HydrophobicContact CD2-CD2 4.31Å; L243-F294 HydrophobicContact CD2-CE2 4.47Å; L289-F294 CarbonylContact C-O 3.51Å; L289-F294 VanDerWaalsContact C-O 3.24Å; L289-F294 HydrophobicContact CB-CB 4.19Å; L289-F294 WeakPolarHBondContact CB-O 3.38Å; L289-F294 HydrophobicContact CD2-CB 4.36Å; L289-F294 PolarHBondContact O-N 3.44Å; F292-F294 HydrophobicContact CB-CD2 3.72Å; F292-F294 HydrophobicContact CB-CE2 4.11Å; F292-F294 WeakPolarHBondContact O-CD2 3.24Å; F292-F294 PolarHBondContact O-N 3.14Å |
| 295 | S | 75.1 | Confident | 79.6 | Confident | 98 Ų | 98 | 75.3 Ų | 75.3 | 69% | 0.685 | 41% | 0.407 | S | S | * | . | P | Polyproline II helix | trans | -77.4 | 150.7 | 169.1 | 55.2 | 0 | 0 | 0 | 0 | 110.6 | P297 | S295-P297 VanDerWaalsContact O-CD 3.3Å; S295-P297 WeakPolarHBondContact O-CD 3.31Å |
| 296 | W | 80 | Confident | 79.5 | Confident | 41 Ų | 41 | 76.2 Ų | 76.2 | 16% | 0.155 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 119.4 | 172.8 | -177.4 | -104.2 | 0 | 0 | 0 | 110 | L252 L255 A281 E282 C285 L289 F298 | L252-W296 HydrophobicContact CD1-CH2 3.92Å; L252-W296 HydrophobicContact CD1-CZ3 3.8Å; L255-W296 HydrophobicContact CD2-CH2 3.69Å; L255-W296 HydrophobicContact CD2-CZ2 3.55Å; A281-W296 HydrophobicContact CB-CH2 3.72Å; A281-W296 HydrophobicContact CB-CZ2 4.42Å; E282-W296 HydrophobicContact CB-CD2 4.08Å; E282-W296 HydrophobicContact CB-CE3 4.47Å; E282-W296 HydrophobicContact CB-CH2 4.14Å; E282-W296 HydrophobicContact CB-CZ2 3.65Å; E282-W296 HydrophobicContact CG-CD2 3.92Å; E282-W296 HydrophobicContact CG-CG 4.04Å; E282-W296 HydrophobicContact CG-CZ2 4.36Å; E282-W296 VanDerWaalsContact N-CH2 3.34Å; C285-W296 HydrophobicContact CB-CZ3 4.09Å; L289-W296 HydrophobicContact CD1-CE3 3.67Å; L289-W296 HydrophobicContact CD1-CZ3 4.11Å; W296-F298 HydrophobicContact CH2-CD2 4.19Å; W296-F298 HydrophobicContact CZ2-CB 4.24Å; W296-F298 AromaticContact CZ2-CD2 3.82Å; W296-F298 HydrophobicContact CZ2-CD2 3.82Å; W296-F298 PolarHBondContact NE1-O 3.21Å |
| 297 | P | 76.1 | Confident | 79.4 | Confident | 71 Ų | 71 | 83.1 Ų | 83.1 | 46% | 0.461 | 44% | 0.442 | S | S | . | . | trans | -92.5 | -1 | -168.9 | 35.3 | -34.9 | 0 | 0 | 0 | 114 | S295 | S295-P297 VanDerWaalsContact O-CD 3.3Å; S295-P297 WeakPolarHBondContact O-CD 3.31Å | ||
| 298 | F | 83.4 | Confident | 79.2 | Confident | 24 Ų | 24 | 79.3 Ų | 79.3 | 11% | 0.105 | 43% | 0.426 | C | S | . | . | trans | -113.3 | 126.7 | -170.9 | -54.6 | -62.6 | 0 | 0 | 0 | 112.1 | Y240 L252 L255 V256 M259 W296 C300 | Y240-F298 HydrophobicContact CE1-CZ 4.44Å; L252-F298 HydrophobicContact CD1-CE2 4.12Å; L255-F298 HydrophobicContact CD2-CD2 3.68Å; L255-F298 HydrophobicContact CD2-CE2 4.18Å; L255-F298 HydrophobicContact CD2-CG 4.25Å; V256-F298 HydrophobicContact CG2-CE2 3.8Å; V256-F298 HydrophobicContact CG2-CZ 3.75Å; M259-F298 HydrophobicContact CE-CD1 3.72Å; M259-F298 HydrophobicContact CE-CE1 4.03Å; M259-F298 HydrophobicContact SD-CD1 3.56Å; M259-F298 VanDerWaalsContact SD-CD1 3.56Å; M259-F298 HydrophobicContact SD-CE1 3.76Å; M259-F298 HydrophobicContact SD-CG 4.1Å; M259-F298 HydrophobicContact SD-CZ 4.45Å; W296-F298 HydrophobicContact CH2-CD2 4.19Å; W296-F298 HydrophobicContact CZ2-CB 4.24Å; W296-F298 AromaticContact CZ2-CD2 3.82Å; W296-F298 HydrophobicContact CZ2-CD2 3.82Å; W296-F298 PolarHBondContact NE1-O 3.21Å; F298-C300 PolarHBondContact O-N 3.35Å | ||
| 299 | N | 84.1 | Confident | 78.9 | Confident | 90 Ų | 90 | 82.7 Ų | 82.7 | 48% | 0.481 | 45% | 0.446 | S | S | . | . | trans | -87.5 | 98.5 | 169.7 | -171.5 | -19.1 | 0 | 0 | 0 | 110 | H301 L302 | N299-H301 PolarHBondContact O-N 2.02Å; N299-H301 VanDerWaalsContact OD1-CB 3.31Å; N299-H301 WeakPolarHBondContact OD1-CB 3.26Å; N299-H301 PolarHBondContact OD1-N 3.25Å; N299-L302 HydrophobicContact CB-CD1 4.06Å; N299-L302 HydrophobicContact CB-CG 4.17Å; N299-L302 PolarHBondContact O-N 3.47Å; N299-L302 VanDerWaalsContact O-N 3.12Å | ||
| 300 | C | 86.9 | Confident | 78.9 | Confident | 5 Ų | 5 | 85.6 Ų | 85.6 | 3% | 0.034 | 46% | 0.464 | C | S | . | . | G | 310 helix | trans | -61.4 | -17.7 | -179.6 | -57.1 | 0 | 0 | 0 | 0 | 113.2 | C278 F298 L302 L303 | C278-C300 HydrophobicContact CB-CB 3.65Å; C278-C300 WeakPolarHBondContact CB-SG 3.32Å; C278-C300 WeakPolarHBondContact SG-CA 3.27Å; C278-C300 WeakPolarHBondContact SG-CB 3.39Å; C278-C300 CovalentContact SG-SG 2.04Å; C278-C300 PolarHBondContact SG-SG 3.47Å; F298-C300 PolarHBondContact O-N 3.35Å; C300-L302 PolarHBondContact O-N 3.18Å; C300-L303 PolarHBondContact O-N 3.34Å |
| 301 | H | 86.3 | Confident | 79 | Confident | 143 Ų | 143 | 86.5 Ų | 86.5 | 66% | 0.662 | 47% | 0.465 | S | S | * | . | G | 310 helix | trans | -70.9 | -14.6 | 177.4 | -64.9 | -92.4 | 0 | 0 | 0 | 114.6 | R275 N299 L303 | R275-H301 VanDerWaalsContact NH1-CA 3.3Å; R275-H301 PolarHBondContact NH1-ND1 3.08Å; R275-H301 PolarHBondContact NH2-O 3.2Å; N299-H301 PolarHBondContact O-N 2.02Å; N299-H301 VanDerWaalsContact OD1-CB 3.31Å; N299-H301 WeakPolarHBondContact OD1-CB 3.26Å; N299-H301 PolarHBondContact OD1-N 3.25Å; H301-L303 VanDerWaalsContact C-N 3.31Å |
| 302 | L | 83.9 | Confident | 79.5 | Confident | 108 Ų | 108 | 79.9 Ų | 79.9 | 57% | 0.565 | 43% | 0.43 | S | S | * | . | G | 310 helix | trans | -82.8 | -10.5 | 175.7 | -60.2 | 177.9 | 0 | 0 | 0 | 113 | W224 N299 C300 | W224-L302 HydrophobicContact CH2-CB 3.96Å; W224-L302 HydrophobicContact CZ2-CB 3.8Å; W224-L302 HydrophobicContact CZ2-CD1 4.13Å; N299-L302 HydrophobicContact CB-CD1 4.06Å; N299-L302 HydrophobicContact CB-CG 4.17Å; N299-L302 PolarHBondContact O-N 3.47Å; N299-L302 VanDerWaalsContact O-N 3.12Å; C300-L302 PolarHBondContact O-N 3.18Å |
| 303 | L | 86.1 | Confident | 80.5 | Confident | 9 Ų | 9 | 74.5 Ų | 74.5 | 5% | 0.047 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -91.7 | 151.7 | -178.9 | -65.4 | 175.9 | 0 | 0 | 0 | 112.3 | L255 Q272 R275 C278 C300 H301 D305 | L255-L303 HydrophobicContact CD1-CD1 4.3Å; Q272-L303 HydrophobicContact CB-CD2 4.44Å; R275-L303 HydrophobicContact CB-CB 4.32Å; R275-L303 PolarHBondContact NE-O 3.08Å; R275-L303 PolarHBondContact NH2-O 2.88Å; C278-L303 HydrophobicContact CB-CD1 3.44Å; C278-L303 VanDerWaalsContact CB-CD1 3.44Å; C300-L303 PolarHBondContact O-N 3.34Å; H301-L303 VanDerWaalsContact C-N 3.31Å; L303-D305 PolarHBondContact O-N 3.21Å |
| 304 | P | 84.9 | Confident | 81.2 | Confident | 49 Ų | 49 | 74.4 Ų | 74.4 | 32% | 0.318 | 39% | 0.394 | S | S | . | . | trans | -58.9 | 133 | 178.6 | -22.2 | 32.6 | 0 | 0 | 0 | 112.1 | R275 S306 C312 | R275-P304 WeakPolarHBondContact CB-O 2.97Å; R275-P304 PolarHBondContact N-O 3.18Å; P304-S306 PolarHBondContact O-N 2.66Å; P304-C312 HydrophobicContact CB-CB 3.98Å; P304-C312 HydrophobicContact CG-CB 4.15Å | ||
| 305 | D | 86.4 | Confident | 81.7 | Confident | 133 Ų | 133 | 69.8 Ų | 69.8 | 71% | 0.711 | 38% | 0.375 | S | S | * | . | trans | -95.7 | 75.7 | 173.4 | -163.8 | 17 | 0 | 0 | 0 | 110.1 | L303 | L303-D305 PolarHBondContact O-N 3.21Š| ||
| 306 | S | 80.1 | Confident | 82.1 | Confident | 20 Ų | 20 | 68.4 Ų | 68.4 | 14% | 0.14 | 36% | 0.359 | C | S | . | . | trans | -138.3 | 155.1 | -178.7 | -169.5 | 0 | 0 | 0 | 0 | 111.7 | P304 D308 E311 C312 | P304-S306 PolarHBondContact O-N 2.66Å; S306-D308 WeakPolarHBondContact OG-CB 3.33Å; S306-D308 PolarHBondContact OG-N 2.93Å; S306-E311 WeakPolarHBondContact CB-OE2 3.03Å; S306-E311 PolarHBondContact OG-OE2 2.97Å; S306-C312 PolarHBondContact O-SG 2.92Å; S306-C312 VanDerWaalsContact O-SG 3.37Å | ||
| 307 | Q | 75.9 | Confident | 82.2 | Confident | 182 Ų | 182 | 69.8 Ų | 69.8 | 85% | 0.85 | 37% | 0.37 | S | S | * | . | trans | -105.1 | -1 | 168.1 | -61.7 | -173.9 | 17.3 | 0 | 0 | 111.5 | P309 | Q307-P309 WeakPolarHBondContact O-CD 3.25Š| ||
| 308 | D | 76.6 | Confident | 82.5 | Confident | 75 Ų | 75 | 69.7 Ų | 69.7 | 40% | 0.401 | 37% | 0.365 | S | S | . | . | trans | -77.4 | 120.6 | 178.7 | -164.6 | -37.3 | 0 | 0 | 0 | 110.1 | S306 V310 E311 C312 | S306-D308 WeakPolarHBondContact OG-CB 3.33Å; S306-D308 PolarHBondContact OG-N 2.93Å; D308-V310 PolarHBondContact O-N 2.97Å; D308-V310 VanDerWaalsContact O-N 3.08Å; D308-V310 WeakPolarHBondContact OD1-CB 3.25Å; D308-V310 WeakPolarHBondContact OD1-CG2 3.02Å; D308-V310 PolarHBondContact OD1-N 3Å; D308-E311 HydrophobicContact CB-CB 4.29Å; D308-E311 HydrophobicContact CB-CG 4.11Å; D308-E311 PolarHBondContact O-N 3.31Å; D308-C312 PolarHBondContact O-N 3.09Å | ||
| 309 | P | 70.4 | Confident | 82.5 | Confident | 99 Ų | 99 | 72.4 Ų | 72.4 | 64% | 0.643 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -6 | 179.7 | 29.5 | -37.2 | 0 | 0 | 0 | 114 | L271 Q307 | L271-P309 WeakPolarHBondContact CD1-O 3.24Å; Q307-P309 WeakPolarHBondContact O-CD 3.25Å |
| 310 | V | 75.2 | Confident | 82.4 | Confident | 65 Ų | 65 | 71.3 Ų | 71.3 | 39% | 0.394 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -19.3 | 173.9 | -173.5 | 0 | 0 | 0 | 0 | 111.7 | L271 D308 | L271-V310 WeakPolarHBondContact CD2-O 3.3Å; D308-V310 PolarHBondContact O-N 2.97Å; D308-V310 VanDerWaalsContact O-N 3.08Å; D308-V310 WeakPolarHBondContact OD1-CB 3.25Å; D308-V310 WeakPolarHBondContact OD1-CG2 3.02Å; D308-V310 PolarHBondContact OD1-N 3Å |
| 311 | E | 77.5 | Confident | 82.1 | Confident | 124 Ų | 124 | 75.7 Ų | 75.7 | 58% | 0.579 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | -31.8 | -179.8 | -69.5 | -173.6 | 162.6 | 0 | 0 | 113 | S306 D308 | S306-E311 WeakPolarHBondContact CB-OE2 3.03Å; S306-E311 PolarHBondContact OG-OE2 2.97Å; D308-E311 HydrophobicContact CB-CB 4.29Å; D308-E311 HydrophobicContact CB-CG 4.11Å; D308-E311 PolarHBondContact O-N 3.31Å |
| 312 | C | 85.9 | Confident | 81.8 | Confident | 2 Ų | 2 | 70.9 Ų | 70.9 | 1% | 0.014 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -152.9 | 157.3 | 177.5 | 60.6 | 0 | 0 | 0 | 0 | 112.3 | Q272 C274 P304 S306 D308 | Q272-C312 CarbonylContact O-C 3.53Å; Q272-C312 WeakPolarHBondContact O-CA 3.34Å; Q272-C312 WeakPolarHBondContact O-CB 3.43Å; C274-C312 VanDerWaalsContact CA-SG 3.53Å; C274-C312 HydrophobicContact CB-CB 3.91Å; C274-C312 WeakPolarHBondContact CB-SG 3.17Å; C274-C312 VanDerWaalsContact SG-C 3.53Å; C274-C312 WeakPolarHBondContact SG-CB 3.01Å; C274-C312 CovalentContact SG-SG 2.03Å; C274-C312 PolarHBondContact SG-SG 1.99Å; P304-C312 HydrophobicContact CB-CB 3.98Å; P304-C312 HydrophobicContact CG-CB 4.15Å; S306-C312 PolarHBondContact O-SG 2.92Å; S306-C312 VanDerWaalsContact O-SG 3.37Å; D308-C312 PolarHBondContact O-N 3.09Å |
| 313 | S | 89.5 | Confident | 81.6 | Confident | 1 Ų | 1 | 68.1 Ų | 68.1 | 1% | 0.007 | 36% | 0.363 | C | S | . | . | B | Isolated β-bridge | trans | -92 | 150.6 | -179.2 | 60.2 | 0 | 0 | 0 | 0 | 112.4 | L271 Q272 P273 C274 P315 | L271-S313 PolarHBondContact O-OG 2.75Å; Q272-S313 PolarHBondContact O-N 3.21Å; Q272-S313 PolarHBondContact O-OG 3.27Å; P273-S313 WeakPolarHBondContact CA-O 3.24Å; C274-S313 PolarHBondContact N-O 3.4Å; C274-S313 PolarHBondContact SG-O 2.6Å; C274-S313 VanDerWaalsContact SG-O 3.34Å; S313-P315 WeakPolarHBondContact O-CD 3.03Å |
| 314 | Q | 89.7 | Confident | 81.2 | Confident | 111 Ų | 111 | 73 Ų | 73 | 52% | 0.519 | 39% | 0.389 | S | S | . | . | trans | -119.6 | 83.9 | 169.8 | -66.2 | -174.2 | -5.7 | 0 | 0 | 108.5 | S214 V277 | S214-Q314 PolarHBondContact OG-O 2.02Å; V277-Q314 HydrophobicContact CG2-CB 4.47Å; V277-Q314 HydrophobicContact CG2-CG 4.24Å | ||
| 315 | P | 82.4 | Confident | 80.9 | Confident | 15 Ų | 15 | 75.2 Ų | 75.2 | 10% | 0.097 | 40% | 0.396 | C | S | . | . | trans | -63.9 | 0 | -172.9 | -18 | 30.5 | 0 | 0 | 0 | 115 | L213 S214 Y215 K254 P273 S313 | L213-P315 HydrophobicContact CD2-CB 4.04Å; S214-P315 PolarHBondContact N-OXT 2.99Å; S214-P315 WeakPolarHBondContact OG-CA 3.29Å; S214-P315 PolarHBondContact OG-OXT 3.22Å; Y215-P315 HydrophobicContact CE1-CB 3.79Å; Y215-P315 HydrophobicContact CE1-CG 4.07Å; K254-P315 HydrophobicContact CB-CB 4.27Å; K254-P315 VanDerWaalsContact CD-O 3.23Å; K254-P315 WeakPolarHBondContact CD-O 3.33Å; K254-P315 WeakPolarHBondContact CG-O 3.35Å; K254-P315 WeakPolarHBondContact O-CB 3.44Å; P273-P315 HydrophobicContact CB-CG 4.5Å; P273-P315 HydrophobicContact CG-CG 4.44Å; S313-P315 WeakPolarHBondContact O-CD 3.03Å |
Retrieved 315 of 315 residues in 133.8 ms
(Link to these results)