| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40.1 | Very low | 74.5 | Confident | 233 Ų | 233 | 75 Ų | 75 | 100% | 1.148 | 40% | 0.399 | S | S | * | . | 0 | 145.1 | 0 | -69.5 | 178.7 | 173.4 | 0 | 0 | 108.9 | |||||
| 2 | P | 49 | Very low | 76.3 | Confident | 125 Ų | 125 | 69.5 Ų | 69.5 | 81% | 0.812 | 37% | 0.369 | S | S | * | . | trans | -58.2 | 147.4 | 165.1 | 27.7 | -34.2 | 0 | 0 | 0 | 109.7 | ||||
| 3 | K | 54.8 | Low | 77.6 | Confident | 123 Ų | 123 | 65.4 Ų | 65.4 | 54% | 0.535 | 35% | 0.347 | S | S | . | . | trans | -71.7 | 145.6 | 174.4 | -65.2 | 168.5 | 174.6 | -172.8 | 0 | 108.3 | D5 Q25 | K3-D5 PolarHBondContact O-N 3.44Å; K3-D5 VanDerWaalsContact O-N 3.07Å; K3-Q25 VanDerWaalsContact CD-OE1 3.3Å; K3-Q25 VanDerWaalsContact CE-OE1 3.25Å; K3-Q25 VanDerWaalsContact NZ-OE1 3.13Å | ||
| 4 | P | 59.5 | Low | 78.6 | Confident | 90 Ų | 90 | 67.3 Ų | 67.3 | 58% | 0.584 | 36% | 0.358 | S | S | * | . | trans | -69 | 109.5 | 175.1 | 27.2 | -33 | 0 | 0 | 0 | 109.8 | ||||
| 5 | D | 74.9 | Confident | 79.2 | Confident | 87 Ų | 87 | 65 Ų | 65 | 47% | 0.465 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56 | 146.2 | 174.2 | -65.8 | -20.3 | 0 | 0 | 0 | 111.1 | K3 R21 | K3-D5 PolarHBondContact O-N 3.44Å; K3-D5 VanDerWaalsContact O-N 3.07Å; D5-R21 HydrophobicContact CB-CB 4.46Å; D5-R21 IonicContact OD2-NH1 3.79Å |
| 6 | L | 83.1 | Confident | 80.1 | Confident | 4 Ų | 4 | 65 Ų | 65 | 2% | 0.021 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 138.1 | 161.1 | -56.7 | -174.7 | 0 | 0 | 0 | 109.1 | R21 V22 K24 F77 I81 F88 | L6-R21 WeakPolarHBondContact O-CA 3.25Å; L6-V22 WeakPolarHBondContact CA-O 3.46Å; L6-V22 HydrophobicContact CB-CG2 4.18Å; L6-V22 VanDerWaalsContact CB-O 3.25Å; L6-V22 WeakPolarHBondContact CB-O 3.11Å; L6-V22 PolarHBondContact N-O 3.44Å; L6-V22 PolarHBondContact O-N 3.16Å; L6-K24 HydrophobicContact CD1-CG 3.91Å; L6-K24 HydrophobicContact CD2-CD 3.98Å; L6-K24 HydrophobicContact CD2-CG 3.37Å; L6-K24 HydrophobicContact CG-CG 3.73Å; L6-F77 HydrophobicContact CD1-CB 3.9Å; L6-F77 HydrophobicContact CD1-CG 4.33Å; L6-I81 HydrophobicContact CD1-CD1 3.45Å; L6-I81 VanDerWaalsContact CD1-CD1 3.45Å; L6-F88 HydrophobicContact CB-CD2 4.31Å; L6-F88 HydrophobicContact CB-CE2 4.2Å; L6-F88 HydrophobicContact CD1-CD2 4.47Å; L6-F88 HydrophobicContact CD1-CE2 4.13Å; L6-F88 HydrophobicContact CD2-CE2 3.82Å; L6-F88 HydrophobicContact CD2-CZ 4.49Å; L6-F88 HydrophobicContact CG-CE2 4.28Å |
| 7 | L | 88.3 | Confident | 80.9 | Confident | 72 Ų | 72 | 65.1 Ų | 65.1 | 38% | 0.377 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 116.8 | 166.6 | -67.1 | 168 | 0 | 0 | 0 | 108.5 | T19 R21 P87 F88 | L7-T19 HydrophobicContact CD2-CG2 4Å; L7-R21 HydrophobicContact CD2-CG 4.09Å; L7-P87 HydrophobicContact CB-CB 3.94Å; L7-P87 WeakPolarHBondContact O-CA 3.2Å; L7-P87 WeakPolarHBondContact O-CB 3.45Å; L7-F88 PolarHBondContact O-N 2.99Å |
| 8 | C | 89.9 | Confident | 81.7 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 112.9 | 174.4 | -74.1 | 0 | 0 | 0 | 0 | 108.8 | F20 L31 F88 L90 | C8-F20 PolarHBondContact N-O 3.14Å; C8-F20 PolarHBondContact O-N 2.78Å; C8-L31 HydrophobicContact CB-CD1 4.23Å; C8-L31 HydrophobicContact CB-CD2 3.87Å; C8-F88 CarbonylContact C-O 3.53Å; C8-F88 WeakPolarHBondContact CA-O 3.48Å; C8-L90 HydrophobicContact CB-CD1 4.15Å |
| 9 | L | 92.4 | Very high | 82.3 | Confident | 32 Ų | 32 | 66.3 Ų | 66.3 | 17% | 0.168 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 117.7 | 172.1 | -85.4 | 77.9 | 0 | 0 | 0 | 107.8 | I17 E18 T19 P87 F88 Y89 L90 | L9-I17 HydrophobicContact CB-CG2 3.75Å; L9-I17 HydrophobicContact CD2-CG2 3.95Å; L9-I17 HydrophobicContact CG-CG2 4.07Å; L9-E18 WeakPolarHBondContact CA-O 3.28Å; L9-T19 HydrophobicContact CD1-CG2 4.25Å; L9-P87 HydrophobicContact CD1-CB 3.65Å; L9-P87 HydrophobicContact CD1-CG 4.01Å; L9-F88 PolarHBondContact N-O 3.16Å; L9-Y89 HydrophobicContact CB-CD1 3.85Å; L9-Y89 HydrophobicContact CB-CE1 3.94Å; L9-Y89 HydrophobicContact CD2-CD1 4.46Å; L9-Y89 HydrophobicContact CD2-CE1 3.7Å; L9-Y89 HydrophobicContact CG-CE1 4.41Å; L9-Y89 WeakPolarHBondContact O-CA 3.46Å; L9-L90 PolarHBondContact O-N 2.71Å |
| 10 | V | 93.8 | Very high | 82.9 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 115 | -178.1 | -179.1 | 0 | 0 | 0 | 0 | 108.2 | L12 I17 E18 F20 L31 V35 L49 L90 F92 | V10-L12 HydrophobicContact CG1-CD2 4.15Å; V10-I17 WeakPolarHBondContact O-CA 3.34Å; V10-E18 PolarHBondContact N-O 3.4Å; V10-E18 PolarHBondContact O-N 3.39Å; V10-F20 HydrophobicContact CB-CD2 4.09Å; V10-F20 HydrophobicContact CB-CE2 4.04Å; V10-F20 HydrophobicContact CG2-CD2 3.75Å; V10-F20 HydrophobicContact CG2-CE2 4.15Å; V10-L31 HydrophobicContact CG2-CD1 4.34Å; V10-L31 HydrophobicContact CG2-CD2 4.32Å; V10-V35 HydrophobicContact CB-CG2 4.34Å; V10-V35 HydrophobicContact CG1-CG1 4.44Å; V10-V35 HydrophobicContact CG1-CG2 4.07Å; V10-V35 HydrophobicContact CG2-CG2 4.04Å; V10-L49 HydrophobicContact CG1-CD2 3.54Å; V10-L49 HydrophobicContact CG2-CD2 4.24Å; V10-L90 CarbonylContact C-O 3.57Å; V10-L90 WeakPolarHBondContact CA-O 3.48Å; V10-L90 HydrophobicContact CG2-CB 4.47Å; V10-F92 HydrophobicContact CG1-CB 3.87Å |
| 11 | Q | 93.9 | Very high | 83.2 | Confident | 59 Ų | 59 | 69.2 Ų | 69.2 | 28% | 0.276 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 126.3 | 168.6 | -170.1 | 167 | 30.6 | 0 | 0 | 109.5 | G15 T16 I17 L90 F92 | Q11-G15 PolarHBondContact NE2-O 2.95Å; Q11-T16 CarbonylContact C-O 3.53Å; Q11-T16 VanDerWaalsContact CA-O 3.27Å; Q11-T16 WeakPolarHBondContact CA-O 3.47Å; Q11-T16 WeakPolarHBondContact CG-O 3.16Å; Q11-I17 HydrophobicContact CB-CG1 4.06Å; Q11-I17 HydrophobicContact CG-CG1 4.03Å; Q11-L90 PolarHBondContact N-O 3.18Å; Q11-F92 PolarHBondContact O-N 3.17Å |
| 12 | L | 95.8 | Very high | 85.6 | Confident | 9 Ų | 9 | 58.2 Ų | 58.2 | 5% | 0.047 | 31% | 0.311 | C | S | . | . | trans | -89.2 | 170 | 176.5 | -56.4 | -178.7 | 0 | 0 | 0 | 110.7 | V10 D14 G15 T16 E18 V35 L39 F92 | V10-L12 HydrophobicContact CG1-CD2 4.15Å; L12-D14 VanDerWaalsContact C-N 3.3Å; L12-D14 WeakPolarHBondContact CB-OD1 3.46Å; L12-D14 PolarHBondContact O-N 3.23Å; L12-G15 WeakPolarHBondContact O-CA 3.28Å; L12-G15 PolarHBondContact O-N 2.76Å; L12-T16 PolarHBondContact N-O 2.96Å; L12-E18 HydrophobicContact CD1-CB 4.29Å; L12-E18 HydrophobicContact CD1-CG 3.9Å; L12-V35 HydrophobicContact CD2-CG1 3.94Å; L12-L39 HydrophobicContact CD1-CD2 4.2Å; L12-L39 HydrophobicContact CD2-CD1 4.45Å; L12-F92 HydrophobicContact CD2-CB 4.12Å | ||
| 13 | L | 93.9 | Very high | 87.4 | Confident | 16 Ų | 16 | 52.8 Ų | 52.8 | 8% | 0.084 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -15.6 | -171.2 | -72.9 | 170.5 | 0 | 0 | 0 | 114.3 | F47 F92 L112 L115 Q116 | L13-F47 HydrophobicContact CD1-CD1 4.37Å; L13-F47 HydrophobicContact CD1-CE1 4.06Å; L13-F92 HydrophobicContact CD1-CD1 4Å; L13-F92 HydrophobicContact CD1-CE1 4.05Å; L13-F92 WeakPolarHBondContact CD2-O 3.44Å; L13-F92 HydrophobicContact CG-CD1 4.11Å; L13-F92 WeakPolarHBondContact CG-O 3.46Å; L13-L112 HydrophobicContact CB-CD2 4.29Å; L13-L112 HydrophobicContact CD1-CB 4.12Å; L13-L112 HydrophobicContact CD1-CD2 4.18Å; L13-L115 HydrophobicContact CB-CB 4.04Å; L13-L115 HydrophobicContact CB-CD1 4.35Å; L13-Q116 HydrophobicContact CD1-CB 4.31Å; L13-Q116 HydrophobicContact CD2-CB 3.93Å; L13-Q116 HydrophobicContact CD2-CG 4.38Å |
| 14 | D | 90.5 | Very high | 88.9 | Confident | 92 Ų | 92 | 51.4 Ų | 51.4 | 49% | 0.492 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -13.1 | 166.7 | 59.6 | 4.9 | 0 | 0 | 0 | 112.7 | L12 T16 L115 | L12-D14 VanDerWaalsContact C-N 3.3Å; L12-D14 WeakPolarHBondContact CB-OD1 3.46Å; L12-D14 PolarHBondContact O-N 3.23Å; D14-T16 WeakPolarHBondContact OD1-CB 3.37Å; D14-T16 WeakPolarHBondContact OD1-CG2 3.43Å; D14-T16 PolarHBondContact OD1-N 3.32Å; D14-T16 PolarHBondContact OD1-OG1 3.38Å; D14-T16 WeakPolarHBondContact OD2-CG2 3.46Å; D14-T16 PolarHBondContact OD2-OG1 3.14Å; D14-L115 HydrophobicContact CB-CD1 4.36Å |
| 15 | G | 88.4 | Confident | 90.2 | Very high | 33 Ų | 33 | 51.7 Ų | 51.7 | 34% | 0.34 | 26% | 0.263 | S | S | . | . | S | Bend | trans | 99.8 | -8.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q11 L12 | Q11-G15 PolarHBondContact NE2-O 2.95Å; L12-G15 WeakPolarHBondContact O-CA 3.28Å; L12-G15 PolarHBondContact O-N 2.76Å |
| 16 | T | 93.3 | Very high | 90.9 | Very high | 65 Ų | 65 | 50 Ų | 50 | 40% | 0.399 | 25% | 0.254 | S | S | . | . | trans | -66.2 | 159.9 | 176.3 | 64.2 | 0 | 0 | 0 | 0 | 111.7 | Q11 L12 D14 | Q11-T16 CarbonylContact C-O 3.53Å; Q11-T16 VanDerWaalsContact CA-O 3.27Å; Q11-T16 WeakPolarHBondContact CA-O 3.47Å; Q11-T16 WeakPolarHBondContact CG-O 3.16Å; L12-T16 PolarHBondContact N-O 2.96Å; D14-T16 WeakPolarHBondContact OD1-CB 3.37Å; D14-T16 WeakPolarHBondContact OD1-CG2 3.43Å; D14-T16 PolarHBondContact OD1-N 3.32Å; D14-T16 PolarHBondContact OD1-OG1 3.38Å; D14-T16 WeakPolarHBondContact OD2-CG2 3.46Å; D14-T16 PolarHBondContact OD2-OG1 3.14Å | ||
| 17 | I | 93.8 | Very high | 91.3 | Very high | 67 Ų | 67 | 54.5 Ų | 54.5 | 34% | 0.344 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 108.2 | 179.9 | -55.8 | 179.7 | 0 | 0 | 0 | 109.9 | L9 V10 Q11 | L9-I17 HydrophobicContact CB-CG2 3.75Å; L9-I17 HydrophobicContact CD2-CG2 3.95Å; L9-I17 HydrophobicContact CG-CG2 4.07Å; V10-I17 WeakPolarHBondContact O-CA 3.34Å; Q11-I17 HydrophobicContact CB-CG1 4.06Å; Q11-I17 HydrophobicContact CG-CG1 4.03Å |
| 18 | E | 95.1 | Very high | 91.3 | Very high | 77 Ų | 77 | 51.1 Ų | 51.1 | 36% | 0.36 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 146.8 | -178.5 | -85.3 | -60.6 | 155.4 | 0 | 0 | 112.9 | L9 V10 L12 F20 | L9-E18 WeakPolarHBondContact CA-O 3.28Å; V10-E18 PolarHBondContact N-O 3.4Å; V10-E18 PolarHBondContact O-N 3.39Å; L12-E18 HydrophobicContact CD1-CB 4.29Å; L12-E18 HydrophobicContact CD1-CG 3.9Å; E18-F20 HydrophobicContact CB-CD2 4.38Å; E18-F20 HydrophobicContact CB-CE2 3.52Å; E18-F20 HydrophobicContact CB-CZ 4.02Å |
| 19 | T | 94.3 | Very high | 91.4 | Very high | 75 Ų | 75 | 54.6 Ų | 54.6 | 46% | 0.46 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 107.8 | -171.6 | -60.3 | 0 | 0 | 0 | 0 | 112.2 | L7 L9 | L7-T19 HydrophobicContact CD2-CG2 4Å; L9-T19 HydrophobicContact CD1-CG2 4.25Å |
| 20 | F | 92.9 | Very high | 91.4 | Very high | 21 Ų | 21 | 56 Ų | 56 | 9% | 0.092 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 147.1 | -179.8 | -61.7 | -90.7 | 0 | 0 | 0 | 111.5 | C8 V10 E18 L31 L34 V35 H38 | C8-F20 PolarHBondContact N-O 3.14Å; C8-F20 PolarHBondContact O-N 2.78Å; V10-F20 HydrophobicContact CB-CD2 4.09Å; V10-F20 HydrophobicContact CB-CE2 4.04Å; V10-F20 HydrophobicContact CG2-CD2 3.75Å; V10-F20 HydrophobicContact CG2-CE2 4.15Å; E18-F20 HydrophobicContact CB-CD2 4.38Å; E18-F20 HydrophobicContact CB-CE2 3.52Å; E18-F20 HydrophobicContact CB-CZ 4.02Å; F20-L31 HydrophobicContact CB-CD1 3.38Å; F20-L31 HydrophobicContact CD1-CD1 4.43Å; F20-L31 HydrophobicContact CD2-CD1 4.23Å; F20-L31 HydrophobicContact CG-CD1 3.77Å; F20-L34 HydrophobicContact CD1-CB 3.86Å; F20-L34 HydrophobicContact CE1-CB 4.16Å; F20-V35 HydrophobicContact CD1-CG2 4.45Å; F20-V35 HydrophobicContact CD2-CG2 3.99Å; F20-V35 HydrophobicContact CE1-CG2 4.1Å; F20-V35 HydrophobicContact CE2-CG2 3.61Å; F20-V35 HydrophobicContact CG-CG2 4.41Å; F20-V35 HydrophobicContact CZ-CB 4.31Å; F20-V35 HydrophobicContact CZ-CG2 3.68Å; F20-H38 HydrophobicContact CE1-CB 4.21Å; F20-H38 HydrophobicContact CZ-CB 4.2Å |
| 21 | R | 90.5 | Very high | 91.4 | Very high | 173 Ų | 173 | 56 Ų | 56 | 65% | 0.653 | 29% | 0.285 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 125.9 | 174 | -64 | -174.1 | -174 | -156.1 | 5.6 | 110.4 | D5 L6 L7 | D5-R21 HydrophobicContact CB-CB 4.46Å; D5-R21 IonicContact OD2-NH1 3.79Å; L6-R21 WeakPolarHBondContact O-CA 3.25Å; L7-R21 HydrophobicContact CD2-CG 4.09Å |
| 22 | V | 89.5 | Confident | 91.4 | Very high | 3 Ų | 3 | 54 Ų | 54 | 2% | 0.018 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 151.1 | 177.8 | -65.3 | 0 | 0 | 0 | 0 | 110.7 | L6 L31 L34 F77 | L6-V22 WeakPolarHBondContact CA-O 3.46Å; L6-V22 HydrophobicContact CB-CG2 4.18Å; L6-V22 VanDerWaalsContact CB-O 3.25Å; L6-V22 WeakPolarHBondContact CB-O 3.11Å; L6-V22 PolarHBondContact N-O 3.44Å; L6-V22 PolarHBondContact O-N 3.16Å; V22-L31 HydrophobicContact CG1-CB 4.2Å; V22-L31 HydrophobicContact CG1-CD1 4.11Å; V22-L34 HydrophobicContact CG1-CD1 3.98Å; V22-F77 HydrophobicContact CB-CD2 4.45Å; V22-F77 HydrophobicContact CB-CE2 4.25Å; V22-F77 HydrophobicContact CG2-CD2 3.92Å; V22-F77 HydrophobicContact CG2-CE2 3.79Å; V22-F77 HydrophobicContact CG2-CG 4.43Å; V22-F77 HydrophobicContact CG2-CZ 4.16Å |
| 23 | S | 87.9 | Confident | 91.3 | Very high | 10 Ų | 10 | 56 Ų | 56 | 7% | 0.07 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 152.7 | 178.2 | -154.7 | 0 | 0 | 0 | 0 | 112.5 | Q25 D26 | S23-Q25 PolarHBondContact O-N 2.87Å; S23-D26 WeakPolarHBondContact CA-OD2 3.49Å; S23-D26 VanDerWaalsContact CB-CG 3.43Å; S23-D26 WeakPolarHBondContact CB-OD1 3.45Å; S23-D26 WeakPolarHBondContact CB-OD2 3.36Å; S23-D26 PolarHBondContact N-OD2 3.2Å; S23-D26 PolarHBondContact O-N 2.74Å |
| 24 | K | 84.3 | Confident | 91.4 | Very high | 94 Ų | 94 | 58.8 Ų | 58.8 | 41% | 0.409 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -21.2 | 171.7 | -73.2 | 177.7 | -177.6 | 175.9 | 0 | 113.7 | L6 K78 | L6-K24 HydrophobicContact CD1-CG 3.91Å; L6-K24 HydrophobicContact CD2-CD 3.98Å; L6-K24 HydrophobicContact CD2-CG 3.37Å; L6-K24 HydrophobicContact CG-CG 3.73Å; K24-K78 WeakPolarHBondContact O-CB 3.41Å; K24-K78 PolarHBondContact O-N 3.24Å |
| 25 | Q | 87.2 | Confident | 91.6 | Very high | 96 Ų | 96 | 54.4 Ų | 54.4 | 45% | 0.449 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -16 | 177.6 | -63.9 | 93.1 | 67.4 | 0 | 0 | 114.2 | K3 S23 S76 | K3-Q25 VanDerWaalsContact CD-OE1 3.3Å; K3-Q25 VanDerWaalsContact CE-OE1 3.25Å; K3-Q25 VanDerWaalsContact NZ-OE1 3.13Å; S23-Q25 PolarHBondContact O-N 2.87Å; Q25-S76 WeakPolarHBondContact O-CB 3.32Å |
| 26 | D | 89.9 | Confident | 91.9 | Very high | 51 Ų | 51 | 52.9 Ų | 52.9 | 27% | 0.273 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -73.3 | 150 | -171.2 | -58.5 | -13 | 0 | 0 | 0 | 110.7 | S23 V30 S76 F77 | S23-D26 WeakPolarHBondContact CA-OD2 3.49Å; S23-D26 VanDerWaalsContact CB-CG 3.43Å; S23-D26 WeakPolarHBondContact CB-OD1 3.45Å; S23-D26 WeakPolarHBondContact CB-OD2 3.36Å; S23-D26 PolarHBondContact N-OD2 3.2Å; S23-D26 PolarHBondContact O-N 2.74Å; D26-V30 HydrophobicContact CB-CB 4.37Å; D26-V30 HydrophobicContact CB-CG2 4.23Å; D26-S76 CarbonylContact O-C 3.53Å; D26-S76 WeakPolarHBondContact O-CA 3.5Å; D26-F77 WeakPolarHBondContact O-CD2 3.43Å; D26-F77 PolarHBondContact O-N 2.58Å |
| 27 | E | 91.8 | Very high | 91.9 | Very high | 100 Ų | 100 | 54 Ų | 54 | 47% | 0.467 | 27% | 0.273 | S | S | . | . | B | Isolated β-bridge | trans | -77.9 | 151.6 | 180 | -68.6 | 177.4 | -174.2 | 0 | 0 | 111.1 | L29 V30 | E27-L29 PolarHBondContact O-N 2.79Å; E27-L29 VanDerWaalsContact O-N 3.14Å; E27-V30 WeakPolarHBondContact O-CB 3.25Å; E27-V30 WeakPolarHBondContact O-CG2 3.35Å; E27-V30 PolarHBondContact O-N 2.99Å |
| 28 | G | 88.7 | Confident | 92 | Very high | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.01 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -56.9 | -30 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | V30 L31 L32 P73 K75 | G28-V30 PolarHBondContact O-N 3.27Å; G28-L31 PolarHBondContact O-N 3.03Å; G28-L32 PolarHBondContact O-N 3.33Å; G28-P73 WeakPolarHBondContact CA-O 3.41Å; G28-P73 PolarHBondContact N-O 2.95Å; G28-K75 PolarHBondContact N-O 3.39Å |
| 29 | L | 91.7 | Very high | 91.9 | Very high | 72 Ų | 72 | 53.7 Ų | 53.7 | 38% | 0.377 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -57.3 | -33.8 | 173.2 | -177.8 | 60.2 | 0 | 0 | 0 | 112.9 | E27 L31 L32 D33 P73 | E27-L29 PolarHBondContact O-N 2.79Å; E27-L29 VanDerWaalsContact O-N 3.14Å; L29-L31 VanDerWaalsContact C-N 3.33Å; L29-L31 PolarHBondContact O-N 3.05Å; L29-L32 PolarHBondContact O-N 3.37Å; L29-D33 WeakPolarHBondContact O-CB 3.29Å; L29-D33 PolarHBondContact O-N 3.03Å; L29-P73 HydrophobicContact CB-CB 4.14Å; L29-P73 PolarHBondContact N-O 3.45Å |
| 30 | V | 93.2 | Very high | 91.8 | Very high | 61 Ų | 61 | 52.4 Ų | 52.4 | 37% | 0.37 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.6 | -41.6 | -179.6 | -179.1 | 0 | 0 | 0 | 0 | 110.9 | D26 E27 G28 L34 | D26-V30 HydrophobicContact CB-CB 4.37Å; D26-V30 HydrophobicContact CB-CG2 4.23Å; E27-V30 WeakPolarHBondContact O-CB 3.25Å; E27-V30 WeakPolarHBondContact O-CG2 3.35Å; E27-V30 PolarHBondContact O-N 2.99Å; G28-V30 PolarHBondContact O-N 3.27Å; V30-L34 HydrophobicContact CG1-CD1 4.35Å; V30-L34 VanDerWaalsContact O-CG 3.27Å; V30-L34 WeakPolarHBondContact O-CG 3.44Å; V30-L34 PolarHBondContact O-N 3.02Å |
| 31 | L | 93.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -71.1 | -39.4 | 176.2 | -176.3 | 60.3 | 0 | 0 | 0 | 111.7 | C8 V10 F20 V22 G28 L29 D33 L34 V35 L49 F77 L90 | C8-L31 HydrophobicContact CB-CD1 4.23Å; C8-L31 HydrophobicContact CB-CD2 3.87Å; V10-L31 HydrophobicContact CG2-CD1 4.34Å; V10-L31 HydrophobicContact CG2-CD2 4.32Å; F20-L31 HydrophobicContact CB-CD1 3.38Å; F20-L31 HydrophobicContact CD1-CD1 4.43Å; F20-L31 HydrophobicContact CD2-CD1 4.23Å; F20-L31 HydrophobicContact CG-CD1 3.77Å; V22-L31 HydrophobicContact CG1-CB 4.2Å; V22-L31 HydrophobicContact CG1-CD1 4.11Å; G28-L31 PolarHBondContact O-N 3.03Å; L29-L31 VanDerWaalsContact C-N 3.33Å; L29-L31 PolarHBondContact O-N 3.05Å; L31-D33 VanDerWaalsContact C-N 3.32Å; L31-D33 PolarHBondContact O-N 3.44Å; L31-L34 PolarHBondContact O-N 3.15Å; L31-V35 HydrophobicContact CD1-CG2 4.33Å; L31-V35 HydrophobicContact CG-CG2 4.49Å; L31-V35 VanDerWaalsContact O-CG2 3.27Å; L31-V35 WeakPolarHBondContact O-CG2 3.12Å; L31-V35 PolarHBondContact O-N 2.83Å; L31-L49 HydrophobicContact CB-CD1 4.07Å; L31-L49 HydrophobicContact CD2-CD1 3.87Å; L31-L49 HydrophobicContact CG-CD1 3.65Å; L31-F77 HydrophobicContact CB-CE2 4.07Å; L31-F77 HydrophobicContact CB-CZ 3.63Å; L31-F77 HydrophobicContact CD2-CE1 4.08Å; L31-F77 HydrophobicContact CD2-CZ 3.65Å; L31-F77 HydrophobicContact CG-CZ 4.29Å; L31-L90 HydrophobicContact CD2-CD1 4.14Å; L31-L90 HydrophobicContact CD2-CD2 4.25Å |
| 32 | L | 93.5 | Very high | 91.7 | Very high | 18 Ų | 18 | 50.1 Ų | 50.1 | 9% | 0.094 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.2 | -39.4 | 176.6 | -177.4 | 60.6 | 0 | 0 | 0 | 111.7 | G28 L29 S36 L49 F92 | G28-L32 PolarHBondContact O-N 3.33Å; L29-L32 PolarHBondContact O-N 3.37Å; L32-S36 VanDerWaalsContact O-CB 3.27Å; L32-S36 WeakPolarHBondContact O-CB 3.12Å; L32-S36 PolarHBondContact O-N 3.34Å; L32-S36 PolarHBondContact O-OG 3.09Å; L32-L49 HydrophobicContact CB-CD1 4.14Å; L32-L49 HydrophobicContact CD1-CD1 4.42Å; L32-L49 HydrophobicContact CD1-CG 4.24Å; L32-F92 HydrophobicContact CD1-CD2 4.42Å; L32-F92 HydrophobicContact CD1-CE2 4.1Å |
| 33 | D | 93.6 | Very high | 91.8 | Very high | 51 Ų | 51 | 51 Ų | 51 | 27% | 0.273 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -69.9 | -38.1 | 176.4 | -82.3 | -7.5 | 0 | 0 | 0 | 112.1 | L29 L31 S37 K44 | L29-D33 WeakPolarHBondContact O-CB 3.29Å; L29-D33 PolarHBondContact O-N 3.03Å; L31-D33 VanDerWaalsContact C-N 3.32Å; L31-D33 PolarHBondContact O-N 3.44Å; D33-S37 VanDerWaalsContact O-CB 3.25Å; D33-S37 WeakPolarHBondContact O-CB 3.23Å; D33-S37 PolarHBondContact O-N 3.25Å; D33-S37 PolarHBondContact O-OG 3.41Å; D33-K44 IonicContact OD1-NZ 2.71Å; D33-K44 PolarHBondContact OD1-NZ 2.65Å; D33-K44 IonicContact OD2-NZ 3.63Å |
| 34 | L | 95.3 | Very high | 92 | Very high | 74 Ų | 74 | 54.3 Ų | 54.3 | 39% | 0.387 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.3 | -47.5 | 172.6 | -74.5 | 168.8 | 0 | 0 | 0 | 111.9 | F20 V22 V30 L31 S37 H38 | F20-L34 HydrophobicContact CD1-CB 3.86Å; F20-L34 HydrophobicContact CE1-CB 4.16Å; V22-L34 HydrophobicContact CG1-CD1 3.98Å; V30-L34 HydrophobicContact CG1-CD1 4.35Å; V30-L34 VanDerWaalsContact O-CG 3.27Å; V30-L34 WeakPolarHBondContact O-CG 3.44Å; V30-L34 PolarHBondContact O-N 3.02Å; L31-L34 PolarHBondContact O-N 3.15Å; L34-S37 PolarHBondContact O-N 3.21Å; L34-H38 WeakPolarHBondContact O-CB 3.19Å; L34-H38 PolarHBondContact O-N 2.87Å |
| 35 | V | 95.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.4 | -45.2 | 177 | 173.8 | 0 | 0 | 0 | 0 | 111 | V10 L12 F20 L31 S37 H38 L39 L49 F92 | V10-V35 HydrophobicContact CB-CG2 4.34Å; V10-V35 HydrophobicContact CG1-CG1 4.44Å; V10-V35 HydrophobicContact CG1-CG2 4.07Å; V10-V35 HydrophobicContact CG2-CG2 4.04Å; L12-V35 HydrophobicContact CD2-CG1 3.94Å; F20-V35 HydrophobicContact CD1-CG2 4.45Å; F20-V35 HydrophobicContact CD2-CG2 3.99Å; F20-V35 HydrophobicContact CE1-CG2 4.1Å; F20-V35 HydrophobicContact CE2-CG2 3.61Å; F20-V35 HydrophobicContact CG-CG2 4.41Å; F20-V35 HydrophobicContact CZ-CB 4.31Å; F20-V35 HydrophobicContact CZ-CG2 3.68Å; L31-V35 HydrophobicContact CD1-CG2 4.33Å; L31-V35 HydrophobicContact CG-CG2 4.49Å; L31-V35 VanDerWaalsContact O-CG2 3.27Å; L31-V35 WeakPolarHBondContact O-CG2 3.12Å; L31-V35 PolarHBondContact O-N 2.83Å; V35-S37 VanDerWaalsContact C-N 3.31Å; V35-S37 PolarHBondContact O-N 2.81Å; V35-H38 PolarHBondContact O-N 2.86Å; V35-L39 HydrophobicContact CG1-CD1 4.15Å; V35-L39 WeakPolarHBondContact O-CG 3.23Å; V35-L39 PolarHBondContact O-N 2.88Å; V35-L49 HydrophobicContact CG2-CD2 4.42Å; V35-F92 HydrophobicContact CG1-CB 4.23Å; V35-F92 HydrophobicContact CG1-CD2 3.5Å; V35-F92 HydrophobicContact CG1-CE2 3.98Å; V35-F92 HydrophobicContact CG1-CG 3.89Å |
| 36 | S | 94.2 | Very high | 92.7 | Very high | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.014 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.9 | -36.6 | 178.3 | -56.1 | 0 | 0 | 0 | 0 | 112.1 | L32 L39 G40 L41 K44 | L32-S36 VanDerWaalsContact O-CB 3.27Å; L32-S36 WeakPolarHBondContact O-CB 3.12Å; L32-S36 PolarHBondContact O-N 3.34Å; L32-S36 PolarHBondContact O-OG 3.09Å; S36-L39 CarbonylContact O-C 3.57Å; S36-L39 PolarHBondContact O-N 2.91Å; S36-G40 PolarHBondContact O-N 2.93Å; S36-L41 PolarHBondContact O-N 2.83Å; S36-K44 WeakPolarHBondContact OG-CB 3.34Å |
| 37 | S | 94.4 | Very high | 92.9 | Very high | 89 Ų | 89 | 48.2 Ų | 48.2 | 62% | 0.622 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -72.2 | -39.5 | 178 | -56 | 0 | 0 | 0 | 0 | 112.1 | D33 L34 V35 L39 G40 | D33-S37 VanDerWaalsContact O-CB 3.25Å; D33-S37 WeakPolarHBondContact O-CB 3.23Å; D33-S37 PolarHBondContact O-N 3.25Å; D33-S37 PolarHBondContact O-OG 3.41Å; L34-S37 PolarHBondContact O-N 3.21Å; V35-S37 VanDerWaalsContact C-N 3.31Å; V35-S37 PolarHBondContact O-N 2.81Å; S37-L39 VanDerWaalsContact C-N 3.28Å; S37-L39 PolarHBondContact O-N 3.26Å; S37-G40 PolarHBondContact O-N 2.81Å; S37-G40 VanDerWaalsContact O-N 3.1Å |
| 38 | H | 94.9 | Very high | 93.1 | Very high | 104 Ų | 104 | 44 Ų | 44 | 48% | 0.481 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -59.6 | -40.5 | 171.4 | 173.4 | 101.4 | 0 | 0 | 0 | 111.3 | F20 L34 V35 G40 | F20-H38 HydrophobicContact CE1-CB 4.21Å; F20-H38 HydrophobicContact CZ-CB 4.2Å; L34-H38 WeakPolarHBondContact O-CB 3.19Å; L34-H38 PolarHBondContact O-N 2.87Å; V35-H38 PolarHBondContact O-N 2.86Å; H38-G40 VanDerWaalsContact C-N 3.32Å; H38-G40 PolarHBondContact O-N 2.94Å |
| 39 | L | 93.6 | Very high | 93.3 | Very high | 32 Ų | 32 | 44 Ų | 44 | 17% | 0.168 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -9.6 | 174.7 | -68.8 | 174.4 | 0 | 0 | 0 | 114.3 | L12 V35 S36 S37 L41 F92 Q108 | L12-L39 HydrophobicContact CD1-CD2 4.2Å; L12-L39 HydrophobicContact CD2-CD1 4.45Å; V35-L39 HydrophobicContact CG1-CD1 4.15Å; V35-L39 WeakPolarHBondContact O-CG 3.23Å; V35-L39 PolarHBondContact O-N 2.88Å; S36-L39 CarbonylContact O-C 3.57Å; S36-L39 PolarHBondContact O-N 2.91Å; S37-L39 VanDerWaalsContact C-N 3.28Å; S37-L39 PolarHBondContact O-N 3.26Å; L39-L41 HydrophobicContact CB-CB 4.16Å; L39-L41 PolarHBondContact O-N 2.94Å; L39-F92 HydrophobicContact CD1-CD1 3.82Å; L39-F92 HydrophobicContact CD1-CE1 3.43Å; L39-F92 VanDerWaalsContact CD1-CE1 3.43Å; L39-F92 HydrophobicContact CD1-CE2 4.34Å; L39-F92 HydrophobicContact CD1-CG 4.43Å; L39-F92 HydrophobicContact CD1-CZ 3.72Å; L39-Q108 PolarHBondContact O-NE2 3.04Å; L39-Q108 PolarHBondContact O-OE1 3.24Å |
| 40 | G | 91.9 | Very high | 93.4 | Very high | 49 Ų | 49 | 41.1 Ų | 41.1 | 51% | 0.505 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.3 | 14.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | S36 S37 H38 Q42 | S36-G40 PolarHBondContact O-N 2.93Å; S37-G40 PolarHBondContact O-N 2.81Å; S37-G40 VanDerWaalsContact O-N 3.1Å; H38-G40 VanDerWaalsContact C-N 3.32Å; H38-G40 PolarHBondContact O-N 2.94Å; G40-Q42 PolarHBondContact O-N 3.02Å |
| 41 | L | 92.1 | Very high | 93.1 | Very high | 11 Ų | 11 | 38.4 Ų | 38.4 | 6% | 0.058 | 21% | 0.208 | C | C | . | . | trans | -74.7 | 120.7 | -164.5 | 175.3 | 61.1 | 0 | 0 | 0 | 113.5 | S36 L39 K44 F47 F92 L112 | S36-L41 PolarHBondContact O-N 2.83Å; L39-L41 HydrophobicContact CB-CB 4.16Å; L39-L41 PolarHBondContact O-N 2.94Å; L41-K44 HydrophobicContact CD2-CB 4.18Å; L41-K44 HydrophobicContact CG-CB 4.2Å; L41-F47 HydrophobicContact CD1-CE2 4.04Å; L41-F47 HydrophobicContact CD2-CD2 3.6Å; L41-F47 HydrophobicContact CD2-CE2 3.86Å; L41-F47 HydrophobicContact CD2-CG 4.05Å; L41-F47 HydrophobicContact CD2-CZ 4.5Å; L41-F92 HydrophobicContact CD2-CZ 3.72Å; L41-L112 HydrophobicContact CD1-CD1 3.93Å; L41-L112 HydrophobicContact CD2-CD1 4.23Å | ||
| 42 | Q | 89.3 | Confident | 92.5 | Very high | 134 Ų | 134 | 38.8 Ų | 38.8 | 63% | 0.626 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -81.5 | -49.2 | 178.7 | -56.3 | -164.9 | 31.7 | 0 | 0 | 113.1 | G40 K44 H106 | G40-Q42 PolarHBondContact O-N 3.02Å; Q42-K44 PolarHBondContact O-N 2.68Å; Q42-H106 VanDerWaalsContact CD-CE1 3.45Å; Q42-H106 PolarHBondContact OE1-CE1 2.88Å |
| 43 | E | 91.3 | Very high | 91.4 | Very high | 22 Ų | 22 | 42 Ų | 42 | 10% | 0.103 | 22% | 0.224 | C | C | . | . | trans | -81.8 | 39.5 | -178.2 | -65.9 | 172.5 | 99.9 | 0 | 0 | 113.2 | Q45 L46 Q105 H106 T109 | E43-Q45 PolarHBondContact O-N 3.31Å; E43-L46 HydrophobicContact CB-CD1 3.88Å; E43-L46 HydrophobicContact CB-CG 4.47Å; E43-L46 WeakPolarHBondContact O-CB 3.48Å; E43-L46 PolarHBondContact O-N 3.31Å; E43-Q105 PolarHBondContact OE1-N 3.12Å; E43-Q105 PolarHBondContact OE2-N 3.24Å; E43-H106 IonicContact OE2-CD2 2.82Å; E43-H106 PolarHBondContact OE2-CD2 2.88Å; E43-H106 IonicContact OE2-CG 2.59Å; E43-H106 PolarHBondContact OE2-N 3.23Å; E43-T109 HydrophobicContact CB-CG2 4.09Å; E43-T109 WeakPolarHBondContact OE2-CB 3.38Å; E43-T109 PolarHBondContact OE2-OG1 2.89Å | ||
| 44 | K | 92.1 | Very high | 89.9 | Confident | 80 Ų | 80 | 41.9 Ų | 41.9 | 35% | 0.348 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -56.8 | -21.7 | -173.3 | 63.9 | 176.3 | 179.6 | 174.6 | 0 | 114.9 | D33 S36 L41 Q42 L46 F47 | D33-K44 IonicContact OD1-NZ 2.71Å; D33-K44 PolarHBondContact OD1-NZ 2.65Å; D33-K44 IonicContact OD2-NZ 3.63Å; S36-K44 WeakPolarHBondContact OG-CB 3.34Å; L41-K44 HydrophobicContact CD2-CB 4.18Å; L41-K44 HydrophobicContact CG-CB 4.2Å; Q42-K44 PolarHBondContact O-N 2.68Å; K44-L46 PolarHBondContact O-N 3.06Å; K44-L46 VanDerWaalsContact O-N 3.16Å; K44-F47 PolarHBondContact O-N 2.79Å; K44-F47 VanDerWaalsContact O-N 3.12Å |
| 45 | Q | 91.3 | Very high | 88 | Confident | 104 Ų | 104 | 42.4 Ų | 42.4 | 49% | 0.486 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -61.3 | -17.9 | 174.3 | 70.2 | -78.1 | -4 | 0 | 0 | 114.4 | E43 F47 F96 F293 | E43-Q45 PolarHBondContact O-N 3.31Å; Q45-F47 VanDerWaalsContact C-N 3.3Å; Q45-F96 WeakPolarHBondContact O-CD2 3.5Å; Q45-F293 HydrophobicContact CB-CE2 4.28Å; Q45-F293 HydrophobicContact CG-CE2 4Å; Q45-F293 HydrophobicContact CG-CZ 4.45Å |
| 46 | L | 94.3 | Very high | 86.1 | Confident | 4 Ų | 4 | 45.9 Ų | 45.9 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -80.7 | -9.2 | 176.7 | -63.4 | 170.6 | 0 | 0 | 0 | 113.4 | E43 K44 R95 F96 I98 L104 T109 Y113 F293 | E43-L46 HydrophobicContact CB-CD1 3.88Å; E43-L46 HydrophobicContact CB-CG 4.47Å; E43-L46 WeakPolarHBondContact O-CB 3.48Å; E43-L46 PolarHBondContact O-N 3.31Å; K44-L46 PolarHBondContact O-N 3.06Å; K44-L46 VanDerWaalsContact O-N 3.16Å; L46-R95 PolarHBondContact O-N 2.92Å; L46-F96 PolarHBondContact O-N 2.97Å; L46-F96 VanDerWaalsContact O-N 3.13Å; L46-I98 HydrophobicContact CD2-CD1 3.7Å; L46-I98 HydrophobicContact CD2-CG1 3.81Å; L46-L104 HydrophobicContact CD1-CD2 3.66Å; L46-T109 HydrophobicContact CD1-CG2 3.59Å; L46-Y113 HydrophobicContact CB-CE2 4.4Å; L46-Y113 HydrophobicContact CD1-CE2 4.16Å; L46-F293 HydrophobicContact CD2-CE1 4.21Å; L46-F293 HydrophobicContact CD2-CZ 3.64Å |
| 47 | F | 95.5 | Very high | 84 | Confident | 5 Ų | 5 | 48.3 Ų | 48.3 | 2% | 0.022 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 160.1 | -168 | -61 | -98.2 | 0 | 0 | 0 | 112.2 | L13 L41 K44 Q45 F92 R93 V94 T109 L112 Y113 | L13-F47 HydrophobicContact CD1-CD1 4.37Å; L13-F47 HydrophobicContact CD1-CE1 4.06Å; L41-F47 HydrophobicContact CD1-CE2 4.04Å; L41-F47 HydrophobicContact CD2-CD2 3.6Å; L41-F47 HydrophobicContact CD2-CE2 3.86Å; L41-F47 HydrophobicContact CD2-CG 4.05Å; L41-F47 HydrophobicContact CD2-CZ 4.5Å; K44-F47 PolarHBondContact O-N 2.79Å; K44-F47 VanDerWaalsContact O-N 3.12Å; Q45-F47 VanDerWaalsContact C-N 3.3Å; F47-F92 HydrophobicContact CB-CE1 4.36Å; F47-F92 HydrophobicContact CB-CE2 3.64Å; F47-F92 HydrophobicContact CB-CZ 3.47Å; F47-F92 VanDerWaalsContact CB-CZ 3.47Å; F47-F92 AromaticContact CD1-CE1 3.58Å; F47-F92 HydrophobicContact CD1-CE1 3.58Å; F47-F92 HydrophobicContact CD1-CE2 4.4Å; F47-F92 AromaticContact CD1-CZ 3.5Å; F47-F92 HydrophobicContact CD1-CZ 3.5Å; F47-F92 VanDerWaalsContact CD1-CZ 3.5Å; F47-F92 HydrophobicContact CD2-CZ 4.43Å; F47-F92 HydrophobicContact CE1-CE1 4.14Å; F47-F92 HydrophobicContact CE1-CZ 4.34Å; F47-F92 HydrophobicContact CG-CE1 4.14Å; F47-F92 HydrophobicContact CG-CE2 4.25Å; F47-F92 AromaticContact CG-CZ 3.55Å; F47-F92 HydrophobicContact CG-CZ 3.55Å; F47-R93 CarbonylContact C-O 3.59Å; F47-R93 VanDerWaalsContact CA-O 3.3Å; F47-R93 WeakPolarHBondContact CA-O 3.44Å; F47-V94 HydrophobicContact CD1-CG2 4.04Å; F47-V94 HydrophobicContact CE1-CG2 3.59Å; F47-V94 HydrophobicContact CZ-CG2 4.3Å; F47-T109 HydrophobicContact CE2-CG2 4.17Å; F47-T109 HydrophobicContact CZ-CG2 4.36Å; F47-L112 HydrophobicContact CE1-CB 3.74Å; F47-L112 HydrophobicContact CE1-CD1 4.18Å; F47-L112 HydrophobicContact CZ-CB 3.76Å; F47-L112 HydrophobicContact CZ-CD1 3.99Å; F47-Y113 HydrophobicContact CZ-CD2 4.11Å; F47-Y113 HydrophobicContact CZ-CE2 4.23Å |
| 48 | S | 95.2 | Very high | 82 | Confident | 11 Ų | 11 | 50.8 Ų | 50.8 | 8% | 0.077 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 176.7 | 175.4 | -165.8 | 0 | 0 | 0 | 0 | 111.5 | R93 | S48-R93 PolarHBondContact N-O 2.94Å; S48-R93 PolarHBondContact O-N 2.99Å |
| 49 | L | 94 | Very high | 79.9 | Confident | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 118.6 | 179.9 | -70 | 163.4 | 0 | 0 | 0 | 110 | V10 L31 L32 V35 L71 L90 N91 F92 | V10-L49 HydrophobicContact CG1-CD2 3.54Å; V10-L49 HydrophobicContact CG2-CD2 4.24Å; L31-L49 HydrophobicContact CB-CD1 4.07Å; L31-L49 HydrophobicContact CD2-CD1 3.87Å; L31-L49 HydrophobicContact CG-CD1 3.65Å; L32-L49 HydrophobicContact CB-CD1 4.14Å; L32-L49 HydrophobicContact CD1-CD1 4.42Å; L32-L49 HydrophobicContact CD1-CG 4.24Å; V35-L49 HydrophobicContact CG2-CD2 4.42Å; L49-L71 HydrophobicContact CB-CB 4.08Å; L49-L71 HydrophobicContact CB-CD2 4.01Å; L49-L71 HydrophobicContact CD1-CD2 3.86Å; L49-L71 VanDerWaalsContact O-CB 3.28Å; L49-L71 WeakPolarHBondContact O-CB 3.31Å; L49-L71 PolarHBondContact O-N 2.76Å; L49-L90 HydrophobicContact CB-CD2 3.91Å; L49-L90 HydrophobicContact CD2-CB 4.4Å; L49-N91 CarbonylContact C-O 3.53Å; L49-N91 WeakPolarHBondContact CA-O 3.41Å; L49-F92 HydrophobicContact CD2-CB 4.11Å; L49-F92 HydrophobicContact CD2-CD2 4.27Å |
| 50 | Q | 91.8 | Very high | 77.7 | Confident | 11 Ų | 11 | 49.1 Ų | 49.1 | 5% | 0.051 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 126.3 | 174.6 | -172.7 | -174.6 | 48.5 | 0 | 0 | 109.3 | W70 L90 N91 | Q50-W70 HydrophobicContact CB-CE3 4.07Å; Q50-W70 HydrophobicContact CB-CZ3 4.01Å; Q50-L90 CarbonylContact O-C 3.48Å; Q50-L90 WeakPolarHBondContact O-CA 3.37Å; Q50-L90 WeakPolarHBondContact O-CB 3.41Å; Q50-N91 HydrophobicContact CB-CB 4.25Å; Q50-N91 PolarHBondContact N-O 2.87Å; Q50-N91 PolarHBondContact O-N 2.85Å; Q50-N91 PolarHBondContact OE1-ND2 3.23Å |
| 51 | I | 88.8 | Confident | 75.7 | Confident | 4 Ų | 4 | 51.8 Ų | 51.8 | 2% | 0.021 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 128.2 | 177.6 | -58.4 | 173 | 0 | 0 | 0 | 109 | R69 L71 L84 L90 | I51-R69 HydrophobicContact CB-CG 4.46Å; I51-R69 PolarHBondContact N-O 3.3Å; I51-L71 HydrophobicContact CD1-CB 4.38Å; I51-L71 HydrophobicContact CD1-CD1 4.04Å; I51-L71 HydrophobicContact CG1-CB 4.22Å; I51-L71 HydrophobicContact CG1-CD1 4.35Å; I51-L84 HydrophobicContact CG2-CD1 3.73Å; I51-L90 HydrophobicContact CG1-CD2 4.2Å |
| 52 | R | 81.2 | Confident | 73.5 | Confident | 9 Ų | 9 | 55.1 Ų | 55.1 | 3% | 0.034 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -79.4 | 137 | 168.5 | -59.5 | -167.7 | -174.2 | -174.3 | -4.1 | 110.6 | A57 Y89 N91 | R52-A57 PolarHBondContact NH1-O 2.96Å; R52-Y89 PolarHBondContact N-O 3.15Å; R52-N91 VanDerWaalsContact CZ-OD1 3.26Å; R52-N91 PolarHBondContact NE-OD1 3.01Å; R52-N91 PolarHBondContact NH2-OD1 3.32Å |
| 53 | E | 68.5 | Low | 71.3 | Confident | 84 Ų | 84 | 52 Ų | 52 | 39% | 0.393 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -88 | -9.3 | 175.1 | -55.2 | -127.2 | 121.4 | 0 | 0 | 113.4 | N64 R69 K278 | E53-N64 PolarHBondContact N-OD1 3.01Å; E53-R69 WeakPolarHBondContact OE1-CD 3.29Å; E53-R69 IonicContact OE1-CZ 2.62Å; E53-R69 IonicContact OE1-NE 2.61Å; E53-R69 IonicContact OE1-NH1 3.98Å; E53-R69 PolarHBondContact OE1-NH1 2.87Å; E53-K278 IonicContact OE1-NZ 3.17Å; E53-K278 PolarHBondContact OE1-NZ 2.96Å; E53-K278 IonicContact OE2-NZ 2.7Å; E53-K278 PolarHBondContact OE2-NZ 2.94Å |
| 54 | S | 63.2 | Low | 69.5 | Low | 50 Ų | 50 | 52.1 Ų | 52.1 | 35% | 0.35 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -104.8 | 144.8 | 171.7 | -60.1 | 0 | 0 | 0 | 0 | 111.6 | T56 | S54-T56 PolarHBondContact O-N 3.24Š|
| 55 | S | 55.4 | Low | 67.8 | Low | 84 Ų | 84 | 50.3 Ų | 50.3 | 59% | 0.587 | 31% | 0.313 | S | S | * | . | trans | -84.3 | 13.2 | 178.4 | 57.5 | 0 | 0 | 0 | 0 | 114.3 | Y89 | S55-Y89 WeakPolarHBondContact O-CE2 3.2Š| ||
| 56 | T | 54.8 | Low | 66.6 | Low | 73 Ų | 73 | 49.2 Ų | 49.2 | 45% | 0.448 | 31% | 0.311 | S | S | . | . | trans | -90.9 | 140 | 179.6 | 47.9 | 0 | 0 | 0 | 0 | 111.3 | S54 I58 | S54-T56 PolarHBondContact O-N 3.24Å; T56-I58 WeakPolarHBondContact CB-O 3.27Å; T56-I58 PolarHBondContact O-N 2.81Å; T56-I58 PolarHBondContact OG1-O 3.14Å | ||
| 57 | A | 50.6 | Low | 65.6 | Low | 53 Ų | 53 | 50.4 Ų | 50.4 | 44% | 0.438 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -63.5 | -29.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | R52 Y89 | R52-A57 PolarHBondContact NH1-O 2.96Å; A57-Y89 HydrophobicContact CB-CE1 4.07Å |
| 58 | I | 52.7 | Low | 65.1 | Low | 142 Ų | 142 | 50.6 Ų | 50.6 | 73% | 0.728 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -77.3 | 128.2 | 169.8 | -53.6 | 174.8 | 0 | 0 | 0 | 108.9 | T56 | T56-I58 WeakPolarHBondContact CB-O 3.27Å; T56-I58 PolarHBondContact O-N 2.81Å; T56-I58 PolarHBondContact OG1-O 3.14Å |
| 59 | A | 50.1 | Low | 64.7 | Low | 47 Ų | 47 | 52.2 Ų | 52.2 | 39% | 0.388 | 33% | 0.325 | S | S | . | . | trans | -85.4 | 126.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | I61 | A59-I61 PolarHBondContact O-N 2.65Š| ||
| 60 | S | 48.4 | Very low | 64.5 | Low | 53 Ų | 53 | 53.8 Ų | 53.8 | 37% | 0.371 | 33% | 0.331 | S | S | . | . | trans | -76.1 | 114.5 | 169.5 | 49.2 | 0 | 0 | 0 | 0 | 110.2 | A62 A63 | S60-A62 VanDerWaalsContact C-N 3.26Å; S60-A62 PolarHBondContact O-N 2.97Å; S60-A63 PolarHBondContact O-N 3.11Å | ||
| 61 | I | 50 | Low | 64.5 | Low | 105 Ų | 105 | 53.4 Ų | 53.4 | 54% | 0.538 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -34.7 | -170.7 | -59.3 | 173.8 | 0 | 0 | 0 | 112.1 | A59 T65 | A59-I61 PolarHBondContact O-N 2.65Å; I61-T65 WeakPolarHBondContact O-CG2 3.12Å; I61-T65 PolarHBondContact O-OG1 3.23Å |
| 62 | A | 45.1 | Very low | 64.5 | Low | 82 Ų | 82 | 55.1 Ų | 55.1 | 68% | 0.678 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -22.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | S60 T65 | S60-A62 VanDerWaalsContact C-N 3.26Å; S60-A62 PolarHBondContact O-N 2.97Å; A62-T65 PolarHBondContact O-OG1 2.93Å |
| 63 | A | 43.6 | Very low | 64.8 | Low | 68 Ų | 68 | 57 Ų | 57 | 56% | 0.562 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -32.4 | -161.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | S60 | S60-A63 PolarHBondContact O-N 3.11Š|
| 64 | N | 52 | Low | 65.6 | Low | 25 Ų | 25 | 56 Ų | 56 | 13% | 0.134 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -107.2 | -2.7 | -173.2 | -61.1 | -81.8 | 0 | 0 | 0 | 113.5 | E53 | E53-N64 PolarHBondContact N-OD1 3.01Š|
| 65 | T | 57.6 | Low | 66.9 | Low | 41 Ų | 41 | 57 Ų | 57 | 25% | 0.252 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -87.1 | -36.5 | -170.7 | 41.5 | 0 | 0 | 0 | 0 | 113.3 | I61 A62 R125 | I61-T65 WeakPolarHBondContact O-CG2 3.12Å; I61-T65 PolarHBondContact O-OG1 3.23Å; A62-T65 PolarHBondContact O-OG1 2.93Å; T65-R125 HydrophobicContact CG2-CG 3.74Å |
| 66 | L | 65.9 | Low | 68.5 | Low | 82 Ų | 82 | 54.1 Ų | 54.1 | 43% | 0.429 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -94.7 | 11.3 | -175.8 | -54.4 | 175.2 | 0 | 0 | 0 | 113.6 | L207 H208 A209 M219 | L66-L207 CarbonylContact C-O 3.59Å; L66-H208 CarbonylContact O-C 3.54Å; L66-H208 WeakPolarHBondContact O-CA 3.45Å; L66-A209 HydrophobicContact CB-CB 4.31Å; L66-A209 PolarHBondContact O-N 3.27Å; L66-M219 HydrophobicContact CB-CE 4Å; L66-M219 HydrophobicContact CD2-CE 3.57Å; L66-M219 HydrophobicContact CD2-SD 4.33Å; L66-M219 HydrophobicContact CG-CE 4.34Å |
| 67 | S | 73.9 | Confident | 69.9 | Low | 29 Ų | 29 | 50.7 Ų | 50.7 | 20% | 0.203 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -169.3 | 66.2 | 173.8 | -80.5 | 0 | 0 | 0 | 0 | 110.2 | ||
| 68 | P | 83.5 | Confident | 71.5 | Confident | 8 Ų | 8 | 55.1 Ų | 55.1 | 5% | 0.052 | 31% | 0.312 | C | S | . | . | trans | -59.6 | 139.7 | -171.5 | 22.6 | -32.8 | 0 | 0 | 0 | 112.9 | E206 L207 | P68-E206 HydrophobicContact CG-CG 3.49Å; P68-E206 VanDerWaalsContact CG-CG 3.49Å; P68-L207 VanDerWaalsContact CD-O 3.29Å; P68-L207 WeakPolarHBondContact CD-O 3.47Å | ||
| 69 | R | 87.1 | Confident | 73.1 | Confident | 45 Ų | 45 | 54.3 Ų | 54.3 | 17% | 0.17 | 30% | 0.303 | C | S | . | . | trans | -114.5 | 97 | -179.2 | -173.2 | -180 | 174.9 | -161 | -12 | 111.4 | I51 E53 Q80 | I51-R69 HydrophobicContact CB-CG 4.46Å; I51-R69 PolarHBondContact N-O 3.3Å; E53-R69 WeakPolarHBondContact OE1-CD 3.29Å; E53-R69 IonicContact OE1-CZ 2.62Å; E53-R69 IonicContact OE1-NE 2.61Å; E53-R69 IonicContact OE1-NH1 3.98Å; E53-R69 PolarHBondContact OE1-NH1 2.87Å; R69-Q80 PolarHBondContact NH2-O 3.15Å | ||
| 70 | W | 90.8 | Very high | 74.7 | Confident | 34 Ų | 34 | 52.5 Ų | 52.5 | 13% | 0.129 | 29% | 0.287 | C | S | . | . | B | Isolated β-bridge | trans | -76.2 | 152.2 | 175.9 | -59.1 | 106.2 | 0 | 0 | 0 | 113.2 | Q50 R93 E206 | Q50-W70 HydrophobicContact CB-CE3 4.07Å; Q50-W70 HydrophobicContact CB-CZ3 4.01Å; W70-R93 HydrophobicContact CH2-CB 3.8Å; W70-R93 HydrophobicContact CZ3-CB 3.93Å; W70-E206 PolarHBondContact NE1-OE2 3.29Å |
| 71 | L | 91.1 | Very high | 76.2 | Confident | 4 Ų | 4 | 50.9 Ų | 50.9 | 2% | 0.021 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -76.7 | 116.3 | 169.2 | -177 | 71.9 | 0 | 0 | 0 | 109.1 | L49 I51 P73 F77 L90 | L49-L71 HydrophobicContact CB-CB 4.08Å; L49-L71 HydrophobicContact CB-CD2 4.01Å; L49-L71 HydrophobicContact CD1-CD2 3.86Å; L49-L71 VanDerWaalsContact O-CB 3.28Å; L49-L71 WeakPolarHBondContact O-CB 3.31Å; L49-L71 PolarHBondContact O-N 2.76Å; I51-L71 HydrophobicContact CD1-CB 4.38Å; I51-L71 HydrophobicContact CD1-CD1 4.04Å; I51-L71 HydrophobicContact CG1-CB 4.22Å; I51-L71 HydrophobicContact CG1-CD1 4.35Å; L71-P73 WeakPolarHBondContact O-CD 3.41Å; L71-F77 HydrophobicContact CD1-CD1 4.36Å; L71-F77 HydrophobicContact CD1-CE1 3.76Å; L71-F77 HydrophobicContact CD1-CZ 4.27Å; L71-F77 HydrophobicContact CD2-CE1 4.09Å; L71-F77 HydrophobicContact CD2-CZ 3.89Å; L71-L90 HydrophobicContact CB-CD2 4.47Å; L71-L90 HydrophobicContact CD1-CD2 4.49Å; L71-L90 HydrophobicContact CD2-CD2 4.09Å |
| 72 | E | 89.2 | Confident | 77.1 | Confident | 40 Ų | 40 | 53.7 Ų | 53.7 | 19% | 0.187 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -71.5 | 117.1 | -179 | -54.9 | -171.2 | -108.1 | 0 | 0 | 109.5 | E74 K75 Q80 R285 | E72-E74 PolarHBondContact O-N 3.02Å; E72-K75 HydrophobicContact CB-CB 4.21Å; E72-K75 HydrophobicContact CB-CD 3.94Å; E72-K75 HydrophobicContact CB-CG 4.25Å; E72-K75 VanDerWaalsContact CD-NZ 3.3Å; E72-K75 HydrophobicContact CG-CD 4.38Å; E72-K75 PolarHBondContact O-N 3.22Å; E72-K75 IonicContact OE1-NZ 3.9Å; E72-K75 PolarHBondContact OE1-NZ 3.2Å; E72-K75 WeakPolarHBondContact OE2-CE 3.45Å; E72-K75 IonicContact OE2-NZ 2.76Å; E72-K75 PolarHBondContact OE2-NZ 2.87Å; E72-Q80 PolarHBondContact O-NE2 3.01Å; E72-R285 IonicContact OE1-CZ 3.77Å; E72-R285 IonicContact OE1-NE 2.69Å; E72-R285 PolarHBondContact OE1-NE 2.65Å; E72-R285 IonicContact OE1-NH2 2.79Å; E72-R285 PolarHBondContact OE1-NH2 3.42Å; E72-R285 WeakPolarHBondContact OE2-CD 3.4Å; E72-R285 IonicContact OE2-CZ 2.37Å; E72-R285 IonicContact OE2-NE 3.55Å; E72-R285 PolarHBondContact OE2-NE 3.09Å; E72-R285 IonicContact OE2-NH2 3.66Å |
| 73 | P | 86.6 | Confident | 78.3 | Confident | 47 Ų | 47 | 54 Ų | 54 | 31% | 0.305 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -42.5 | -167.2 | -28.2 | 36.6 | 0 | 0 | 0 | 114.7 | G28 L29 L71 K75 | G28-P73 WeakPolarHBondContact CA-O 3.41Å; G28-P73 PolarHBondContact N-O 2.95Å; L29-P73 HydrophobicContact CB-CB 4.14Å; L29-P73 PolarHBondContact N-O 3.45Å; L71-P73 WeakPolarHBondContact O-CD 3.41Å; P73-K75 VanDerWaalsContact C-N 3.27Å; P73-K75 PolarHBondContact O-N 3.3Å |
| 74 | E | 86.4 | Confident | 79.6 | Confident | 65 Ų | 65 | 52.8 Ų | 52.8 | 30% | 0.304 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 20.5 | -172.5 | -30.4 | 88.7 | 153.1 | 0 | 0 | 112.7 | E72 I317 | E72-E74 PolarHBondContact O-N 3.02Å; E74-I317 HydrophobicContact CB-CD1 3.85Å; E74-I317 HydrophobicContact CG-CD1 3.48Å; E74-I317 VanDerWaalsContact CG-CD1 3.48Å; E74-I317 VanDerWaalsContact OE1-CD1 3.3Å; E74-I317 WeakPolarHBondContact OE1-CD1 3.47Å |
| 75 | K | 89.1 | Confident | 80.5 | Confident | 71 Ų | 71 | 54.6 Ų | 54.6 | 31% | 0.309 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -120.3 | 129.8 | -179.8 | -68.8 | -177.2 | -171.2 | 168.3 | 0 | 112.1 | G28 E72 P73 Q80 | G28-K75 PolarHBondContact N-O 3.39Å; E72-K75 HydrophobicContact CB-CB 4.21Å; E72-K75 HydrophobicContact CB-CD 3.94Å; E72-K75 HydrophobicContact CB-CG 4.25Å; E72-K75 VanDerWaalsContact CD-NZ 3.3Å; E72-K75 HydrophobicContact CG-CD 4.38Å; E72-K75 PolarHBondContact O-N 3.22Å; E72-K75 IonicContact OE1-NZ 3.9Å; E72-K75 PolarHBondContact OE1-NZ 3.2Å; E72-K75 WeakPolarHBondContact OE2-CE 3.45Å; E72-K75 IonicContact OE2-NZ 2.76Å; E72-K75 PolarHBondContact OE2-NZ 2.87Å; P73-K75 VanDerWaalsContact C-N 3.27Å; P73-K75 PolarHBondContact O-N 3.3Å; K75-Q80 HydrophobicContact CB-CG 4.05Å; K75-Q80 PolarHBondContact O-NE2 3.41Å |
| 76 | S | 89.2 | Confident | 81.3 | Confident | 23 Ų | 23 | 56.3 Ų | 56.3 | 16% | 0.161 | 31% | 0.309 | C | S | . | . | B | Isolated β-bridge | trans | -63.2 | 141.9 | -179.5 | 56 | 0 | 0 | 0 | 0 | 113.5 | Q25 D26 K78 K79 | Q25-S76 WeakPolarHBondContact O-CB 3.32Å; D26-S76 CarbonylContact O-C 3.53Å; D26-S76 WeakPolarHBondContact O-CA 3.5Å; S76-K78 VanDerWaalsContact C-N 3.25Å; S76-K78 PolarHBondContact O-N 2.78Å; S76-K78 VanDerWaalsContact O-N 3.12Å; S76-K79 WeakPolarHBondContact O-CB 3.47Å; S76-K79 PolarHBondContact O-N 3.31Å |
| 77 | F | 85.4 | Confident | 82 | Confident | 1 Ų | 1 | 54.6 Ų | 54.6 | 0% | 0.004 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -48.3 | -43.6 | -176.9 | -85.7 | -76.2 | 0 | 0 | 0 | 113.1 | L6 V22 D26 L31 L71 K79 Q80 I81 | L6-F77 HydrophobicContact CD1-CB 3.9Å; L6-F77 HydrophobicContact CD1-CG 4.33Å; V22-F77 HydrophobicContact CB-CD2 4.45Å; V22-F77 HydrophobicContact CB-CE2 4.25Å; V22-F77 HydrophobicContact CG2-CD2 3.92Å; V22-F77 HydrophobicContact CG2-CE2 3.79Å; V22-F77 HydrophobicContact CG2-CG 4.43Å; V22-F77 HydrophobicContact CG2-CZ 4.16Å; D26-F77 WeakPolarHBondContact O-CD2 3.43Å; D26-F77 PolarHBondContact O-N 2.58Å; L31-F77 HydrophobicContact CB-CE2 4.07Å; L31-F77 HydrophobicContact CB-CZ 3.63Å; L31-F77 HydrophobicContact CD2-CE1 4.08Å; L31-F77 HydrophobicContact CD2-CZ 3.65Å; L31-F77 HydrophobicContact CG-CZ 4.29Å; L71-F77 HydrophobicContact CD1-CD1 4.36Å; L71-F77 HydrophobicContact CD1-CE1 3.76Å; L71-F77 HydrophobicContact CD1-CZ 4.27Å; L71-F77 HydrophobicContact CD2-CE1 4.09Å; L71-F77 HydrophobicContact CD2-CZ 3.89Å; F77-K79 PolarHBondContact O-N 3.08Å; F77-Q80 PolarHBondContact O-N 3.25Å; F77-I81 HydrophobicContact CB-CD1 4.01Å; F77-I81 HydrophobicContact CD1-CD1 4.24Å; F77-I81 HydrophobicContact CD1-CG2 4.14Å; F77-I81 WeakPolarHBondContact O-CG1 3.48Å; F77-I81 PolarHBondContact O-N 2.82Å |
| 78 | K | 83.4 | Confident | 82.6 | Confident | 145 Ų | 145 | 54 Ų | 54 | 63% | 0.63 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -54.5 | -24 | 174.4 | 177.3 | 176.1 | 179.9 | -178.8 | 0 | 115.1 | K24 S76 K82 | K24-K78 WeakPolarHBondContact O-CB 3.41Å; K24-K78 PolarHBondContact O-N 3.24Å; S76-K78 VanDerWaalsContact C-N 3.25Å; S76-K78 PolarHBondContact O-N 2.78Å; S76-K78 VanDerWaalsContact O-N 3.12Å; K78-K82 WeakPolarHBondContact O-CE 3.26Å; K78-K82 WeakPolarHBondContact O-CG 3.1Å |
| 79 | K | 85.7 | Confident | 82.7 | Confident | 125 Ų | 125 | 55.8 Ų | 55.8 | 54% | 0.543 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -85.9 | -24.9 | 175.6 | -65.8 | 175.4 | -179.8 | 171.5 | 0 | 112.5 | S76 F77 | S76-K79 WeakPolarHBondContact O-CB 3.47Å; S76-K79 PolarHBondContact O-N 3.31Å; F77-K79 PolarHBondContact O-N 3.08Å |
| 80 | Q | 85.8 | Confident | 82.9 | Confident | 9 Ų | 9 | 53.9 Ų | 53.9 | 4% | 0.042 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -98.9 | -49.1 | -170.3 | -53.7 | -154.9 | 62.3 | 0 | 0 | 113.1 | R69 E72 K75 F77 K82 | R69-Q80 PolarHBondContact NH2-O 3.15Å; E72-Q80 PolarHBondContact O-NE2 3.01Å; K75-Q80 HydrophobicContact CB-CG 4.05Å; K75-Q80 PolarHBondContact O-NE2 3.41Å; F77-Q80 PolarHBondContact O-N 3.25Å; Q80-K82 VanDerWaalsContact C-N 3.25Å; Q80-K82 PolarHBondContact O-N 2.87Å |
| 81 | I | 78.1 | Confident | 83 | Confident | 19 Ų | 19 | 53.3 Ų | 53.3 | 10% | 0.097 | 30% | 0.295 | C | S | . | . | trans | -87.5 | 20.5 | -170.8 | 72.5 | -159.7 | 0 | 0 | 0 | 114 | L6 F77 G83 L84 F88 | L6-I81 HydrophobicContact CD1-CD1 3.45Å; L6-I81 VanDerWaalsContact CD1-CD1 3.45Å; F77-I81 HydrophobicContact CB-CD1 4.01Å; F77-I81 HydrophobicContact CD1-CD1 4.24Å; F77-I81 HydrophobicContact CD1-CG2 4.14Å; F77-I81 WeakPolarHBondContact O-CG1 3.48Å; F77-I81 PolarHBondContact O-N 2.82Å; I81-G83 PolarHBondContact O-N 3.25Å; I81-L84 HydrophobicContact CB-CD1 4.2Å; I81-L84 HydrophobicContact CG2-CD1 4.43Å; I81-L84 PolarHBondContact O-N 2.83Å; I81-L84 VanDerWaalsContact O-N 3.11Å; I81-F88 HydrophobicContact CB-CD1 3.83Å; I81-F88 HydrophobicContact CB-CE1 3.77Å; I81-F88 HydrophobicContact CD1-CD1 3.92Å; I81-F88 HydrophobicContact CD1-CD2 4.12Å; I81-F88 HydrophobicContact CD1-CE1 3.59Å; I81-F88 HydrophobicContact CD1-CE2 3.85Å; I81-F88 HydrophobicContact CD1-CG 4.18Å; I81-F88 HydrophobicContact CD1-CZ 3.57Å; I81-F88 HydrophobicContact CG1-CD1 4.1Å; I81-F88 HydrophobicContact CG1-CE1 3.63Å; I81-F88 HydrophobicContact CG1-CZ 3.99Å; I81-F88 HydrophobicContact CG2-CD1 4.19Å | ||
| 82 | K | 70.6 | Confident | 83.2 | Confident | 165 Ų | 165 | 53.2 Ų | 53.2 | 72% | 0.717 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | 122.1 | 179.2 | -69.1 | -170 | 175.4 | -171.5 | 0 | 110.5 | K78 Q80 | K78-K82 WeakPolarHBondContact O-CE 3.26Å; K78-K82 WeakPolarHBondContact O-CG 3.1Å; Q80-K82 VanDerWaalsContact C-N 3.25Å; Q80-K82 PolarHBondContact O-N 2.87Å |
| 83 | G | 68.6 | Low | 83.5 | Confident | 88 Ų | 88 | 52.8 Ų | 52.8 | 91% | 0.907 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.9 | -4.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | I81 | I81-G83 PolarHBondContact O-N 3.25Š|
| 84 | L | 72.3 | Confident | 83.8 | Confident | 43 Ų | 43 | 50.8 Ų | 50.8 | 23% | 0.225 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -86.5 | 141.5 | 170.1 | -65.9 | 173.9 | 0 | 0 | 0 | 110.4 | I51 I81 F88 | I51-L84 HydrophobicContact CG2-CD1 3.73Å; I81-L84 HydrophobicContact CB-CD1 4.2Å; I81-L84 HydrophobicContact CG2-CD1 4.43Å; I81-L84 PolarHBondContact O-N 2.83Å; I81-L84 VanDerWaalsContact O-N 3.11Å; L84-F88 HydrophobicContact CB-CD1 3.76Å; L84-F88 HydrophobicContact CB-CE1 3.77Å; L84-F88 HydrophobicContact CD1-CD1 4.39Å; L84-F88 WeakPolarHBondContact O-CE1 3.33Å |
| 85 | A | 70.4 | Confident | 84.2 | Confident | 62 Ų | 62 | 48.2 Ų | 48.2 | 51% | 0.512 | 27% | 0.266 | S | S | . | . | P | Polyproline II helix | trans | -73 | 160 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111 | F88 | A85-F88 WeakPolarHBondContact O-CD1 3.01Å; A85-F88 WeakPolarHBondContact O-CE1 3.49Å |
| 86 | S | 75.1 | Confident | 84.4 | Confident | 78 Ų | 78 | 45.9 Ų | 45.9 | 55% | 0.545 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -95.4 | 139.7 | 170.5 | -173.8 | 0 | 0 | 0 | 0 | 109.1 | ||
| 87 | P | 80.4 | Confident | 84.4 | Confident | 45 Ų | 45 | 46.2 Ų | 46.2 | 29% | 0.292 | 25% | 0.254 | S | S | . | . | S | Bend | cis | -77.1 | 158.2 | 1.3 | 34.6 | -37.2 | 0 | 0 | 0 | 113.4 | L7 L9 Y89 | L7-P87 HydrophobicContact CB-CB 3.94Å; L7-P87 WeakPolarHBondContact O-CA 3.2Å; L7-P87 WeakPolarHBondContact O-CB 3.45Å; L9-P87 HydrophobicContact CD1-CB 3.65Å; L9-P87 HydrophobicContact CD1-CG 4.01Å; P87-Y89 HydrophobicContact CG-CE2 4.27Å |
| 88 | F | 85.5 | Confident | 84.3 | Confident | 17 Ų | 17 | 47.9 Ų | 47.9 | 8% | 0.075 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 125.2 | -177.3 | -55.1 | -83.5 | 0 | 0 | 0 | 110.5 | L6 L7 C8 L9 I81 L84 A85 L90 | L6-F88 HydrophobicContact CB-CD2 4.31Å; L6-F88 HydrophobicContact CB-CE2 4.2Å; L6-F88 HydrophobicContact CD1-CD2 4.47Å; L6-F88 HydrophobicContact CD1-CE2 4.13Å; L6-F88 HydrophobicContact CD2-CE2 3.82Å; L6-F88 HydrophobicContact CD2-CZ 4.49Å; L6-F88 HydrophobicContact CG-CE2 4.28Å; L7-F88 PolarHBondContact O-N 2.99Å; C8-F88 CarbonylContact C-O 3.53Å; C8-F88 WeakPolarHBondContact CA-O 3.48Å; L9-F88 PolarHBondContact N-O 3.16Å; I81-F88 HydrophobicContact CB-CD1 3.83Å; I81-F88 HydrophobicContact CB-CE1 3.77Å; I81-F88 HydrophobicContact CD1-CD1 3.92Å; I81-F88 HydrophobicContact CD1-CD2 4.12Å; I81-F88 HydrophobicContact CD1-CE1 3.59Å; I81-F88 HydrophobicContact CD1-CE2 3.85Å; I81-F88 HydrophobicContact CD1-CG 4.18Å; I81-F88 HydrophobicContact CD1-CZ 3.57Å; I81-F88 HydrophobicContact CG1-CD1 4.1Å; I81-F88 HydrophobicContact CG1-CE1 3.63Å; I81-F88 HydrophobicContact CG1-CZ 3.99Å; I81-F88 HydrophobicContact CG2-CD1 4.19Å; L84-F88 HydrophobicContact CB-CD1 3.76Å; L84-F88 HydrophobicContact CB-CE1 3.77Å; L84-F88 HydrophobicContact CD1-CD1 4.39Å; L84-F88 WeakPolarHBondContact O-CE1 3.33Å; A85-F88 WeakPolarHBondContact O-CD1 3.01Å; A85-F88 WeakPolarHBondContact O-CE1 3.49Å; F88-L90 HydrophobicContact CB-CD1 4.37Å |
| 89 | Y | 86.6 | Confident | 83.8 | Confident | 46 Ų | 46 | 44.3 Ų | 44.3 | 18% | 0.18 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 131.1 | 177.2 | -67.3 | -89.9 | 0 | 0 | 0 | 111.9 | L9 R52 S55 A57 P87 | L9-Y89 HydrophobicContact CB-CD1 3.85Å; L9-Y89 HydrophobicContact CB-CE1 3.94Å; L9-Y89 HydrophobicContact CD2-CD1 4.46Å; L9-Y89 HydrophobicContact CD2-CE1 3.7Å; L9-Y89 HydrophobicContact CG-CE1 4.41Å; L9-Y89 WeakPolarHBondContact O-CA 3.46Å; R52-Y89 PolarHBondContact N-O 3.15Å; S55-Y89 WeakPolarHBondContact O-CE2 3.2Å; A57-Y89 HydrophobicContact CB-CE1 4.07Å; P87-Y89 HydrophobicContact CG-CE2 4.27Å |
| 90 | L | 90.4 | Very high | 83.3 | Confident | 5 Ų | 5 | 41.7 Ų | 41.7 | 3% | 0.026 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 158.5 | 174 | -58.2 | 94.3 | 0 | 0 | 0 | 110.4 | C8 L9 V10 Q11 L31 L49 Q50 I51 L71 F88 | C8-L90 HydrophobicContact CB-CD1 4.15Å; L9-L90 PolarHBondContact O-N 2.71Å; V10-L90 CarbonylContact C-O 3.57Å; V10-L90 WeakPolarHBondContact CA-O 3.48Å; V10-L90 HydrophobicContact CG2-CB 4.47Å; Q11-L90 PolarHBondContact N-O 3.18Å; L31-L90 HydrophobicContact CD2-CD1 4.14Å; L31-L90 HydrophobicContact CD2-CD2 4.25Å; L49-L90 HydrophobicContact CB-CD2 3.91Å; L49-L90 HydrophobicContact CD2-CB 4.4Å; Q50-L90 CarbonylContact O-C 3.48Å; Q50-L90 WeakPolarHBondContact O-CA 3.37Å; Q50-L90 WeakPolarHBondContact O-CB 3.41Å; I51-L90 HydrophobicContact CG1-CD2 4.2Å; L71-L90 HydrophobicContact CB-CD2 4.47Å; L71-L90 HydrophobicContact CD1-CD2 4.49Å; L71-L90 HydrophobicContact CD2-CD2 4.09Å; F88-L90 HydrophobicContact CB-CD1 4.37Å |
| 91 | N | 92.3 | Very high | 82.7 | Confident | 22 Ų | 22 | 41.2 Ų | 41.2 | 12% | 0.118 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 128.9 | 168.8 | -50.4 | -34.6 | 0 | 0 | 0 | 108.7 | L49 Q50 R52 R93 | L49-N91 CarbonylContact C-O 3.53Å; L49-N91 WeakPolarHBondContact CA-O 3.41Å; Q50-N91 HydrophobicContact CB-CB 4.25Å; Q50-N91 PolarHBondContact N-O 2.87Å; Q50-N91 PolarHBondContact O-N 2.85Å; Q50-N91 PolarHBondContact OE1-ND2 3.23Å; R52-N91 VanDerWaalsContact CZ-OD1 3.26Å; R52-N91 PolarHBondContact NE-OD1 3.01Å; R52-N91 PolarHBondContact NH2-OD1 3.32Å; N91-R93 HydrophobicContact CB-CG 3.84Å |
| 92 | F | 95.7 | Very high | 82.7 | Confident | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.009 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 126.5 | 163.9 | 179.8 | -101.7 | 0 | 0 | 0 | 109 | V10 Q11 L12 L13 L32 V35 L39 L41 F47 L49 | V10-F92 HydrophobicContact CG1-CB 3.87Å; Q11-F92 PolarHBondContact O-N 3.17Å; L12-F92 HydrophobicContact CD2-CB 4.12Å; L13-F92 HydrophobicContact CD1-CD1 4Å; L13-F92 HydrophobicContact CD1-CE1 4.05Å; L13-F92 WeakPolarHBondContact CD2-O 3.44Å; L13-F92 HydrophobicContact CG-CD1 4.11Å; L13-F92 WeakPolarHBondContact CG-O 3.46Å; L32-F92 HydrophobicContact CD1-CD2 4.42Å; L32-F92 HydrophobicContact CD1-CE2 4.1Å; V35-F92 HydrophobicContact CG1-CB 4.23Å; V35-F92 HydrophobicContact CG1-CD2 3.5Å; V35-F92 HydrophobicContact CG1-CE2 3.98Å; V35-F92 HydrophobicContact CG1-CG 3.89Å; L39-F92 HydrophobicContact CD1-CD1 3.82Å; L39-F92 HydrophobicContact CD1-CE1 3.43Å; L39-F92 VanDerWaalsContact CD1-CE1 3.43Å; L39-F92 HydrophobicContact CD1-CE2 4.34Å; L39-F92 HydrophobicContact CD1-CG 4.43Å; L39-F92 HydrophobicContact CD1-CZ 3.72Å; L41-F92 HydrophobicContact CD2-CZ 3.72Å; F47-F92 HydrophobicContact CB-CE1 4.36Å; F47-F92 HydrophobicContact CB-CE2 3.64Å; F47-F92 HydrophobicContact CB-CZ 3.47Å; F47-F92 VanDerWaalsContact CB-CZ 3.47Å; F47-F92 AromaticContact CD1-CE1 3.58Å; F47-F92 HydrophobicContact CD1-CE1 3.58Å; F47-F92 HydrophobicContact CD1-CE2 4.4Å; F47-F92 AromaticContact CD1-CZ 3.5Å; F47-F92 HydrophobicContact CD1-CZ 3.5Å; F47-F92 VanDerWaalsContact CD1-CZ 3.5Å; F47-F92 HydrophobicContact CD2-CZ 4.43Å; F47-F92 HydrophobicContact CE1-CE1 4.14Å; F47-F92 HydrophobicContact CE1-CZ 4.34Å; F47-F92 HydrophobicContact CG-CE1 4.14Å; F47-F92 HydrophobicContact CG-CE2 4.25Å; F47-F92 AromaticContact CG-CZ 3.55Å; F47-F92 HydrophobicContact CG-CZ 3.55Å; L49-F92 HydrophobicContact CD2-CB 4.11Å; L49-F92 HydrophobicContact CD2-CD2 4.27Å |
| 93 | R | 95.1 | Very high | 83.3 | Confident | 31 Ų | 31 | 38.8 Ų | 38.8 | 12% | 0.117 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 155.8 | -170 | -66.5 | -162.2 | 66.6 | 144.7 | 0.1 | 112.7 | F47 S48 W70 N91 R95 Q116 D120 | F47-R93 CarbonylContact C-O 3.59Å; F47-R93 VanDerWaalsContact CA-O 3.3Å; F47-R93 WeakPolarHBondContact CA-O 3.44Å; S48-R93 PolarHBondContact N-O 2.94Å; S48-R93 PolarHBondContact O-N 2.99Å; W70-R93 HydrophobicContact CH2-CB 3.8Å; W70-R93 HydrophobicContact CZ3-CB 3.93Å; N91-R93 HydrophobicContact CB-CG 3.84Å; R93-R95 PolarHBondContact O-N 2.93Å; R93-Q116 VanDerWaalsContact CB-OE1 3.24Å; R93-D120 IonicContact CZ-OD1 3.41Å; R93-D120 IonicContact NH1-OD1 3.66Å; R93-D120 IonicContact NH2-OD1 2.66Å; R93-D120 PolarHBondContact NH2-OD1 3.17Å; R93-D120 IonicContact NH2-OD2 2.68Å; R93-D120 PolarHBondContact NH2-OD2 2.72Å |
| 94 | V | 94.8 | Very high | 84.1 | Confident | 4 Ų | 4 | 34.7 Ų | 34.7 | 2% | 0.024 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 128.5 | 164.8 | -178.6 | 0 | 0 | 0 | 0 | 107.8 | F47 F97 Y113 Q116 | F47-V94 HydrophobicContact CD1-CG2 4.04Å; F47-V94 HydrophobicContact CE1-CG2 3.59Å; F47-V94 HydrophobicContact CZ-CG2 4.3Å; V94-F97 HydrophobicContact CB-CD2 4.42Å; V94-F97 HydrophobicContact CB-CE1 4.24Å; V94-F97 HydrophobicContact CB-CE2 3.88Å; V94-F97 HydrophobicContact CB-CZ 3.79Å; V94-F97 HydrophobicContact CG1-CD1 4.06Å; V94-F97 HydrophobicContact CG1-CD2 3.73Å; V94-F97 HydrophobicContact CG1-CE1 4.03Å; V94-F97 HydrophobicContact CG1-CE2 3.7Å; V94-F97 HydrophobicContact CG1-CG 3.93Å; V94-F97 HydrophobicContact CG1-CZ 3.87Å; V94-F97 HydrophobicContact CG2-CZ 4.46Å; V94-Y113 HydrophobicContact CG1-CD2 4.33Å; V94-Y113 HydrophobicContact CG1-CE1 4.39Å; V94-Y113 HydrophobicContact CG1-CE2 3.74Å; V94-Y113 HydrophobicContact CG2-CD2 3.79Å; V94-Y113 HydrophobicContact CG2-CE2 3.99Å; V94-Y113 HydrophobicContact CG2-CG 4.32Å; V94-Q116 HydrophobicContact CB-CG 4.02Å; V94-Q116 HydrophobicContact CG2-CB 3.77Å; V94-Q116 HydrophobicContact CG2-CG 3.78Å |
| 95 | R | 93.6 | Very high | 84.6 | Confident | 12 Ų | 12 | 39.3 Ų | 39.3 | 5% | 0.045 | 22% | 0.223 | C | C | . | . | trans | -100.5 | -38.6 | -179.1 | 176.5 | 69.3 | -158.8 | 104.9 | -28.9 | 111.8 | L46 R93 E206 H290 | L46-R95 PolarHBondContact O-N 2.92Å; R93-R95 PolarHBondContact O-N 2.93Å; R95-E206 IonicContact CZ-OE2 2.82Å; R95-E206 IonicContact NH1-OE2 3.23Å; R95-E206 PolarHBondContact NH1-OE2 3.13Å; R95-E206 IonicContact NH2-OE1 3.15Å; R95-E206 IonicContact NH2-OE2 3.71Å; R95-E206 PolarHBondContact NH2-OE2 2.79Å; R95-H290 PolarHBondContact NH1-CE1 3.1Å | ||
| 96 | F | 93.4 | Very high | 85.6 | Confident | 22 Ų | 22 | 39.6 Ų | 39.6 | 10% | 0.096 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -132.5 | 104.3 | -176.7 | -56.2 | -63.2 | 0 | 0 | 0 | 109.2 | Q45 L46 Y113 D289 F293 F294 | Q45-F96 WeakPolarHBondContact O-CD2 3.5Å; L46-F96 PolarHBondContact O-N 2.97Å; L46-F96 VanDerWaalsContact O-N 3.13Å; F96-Y113 PolarHBondContact O-OH 2.96Å; F96-D289 HydrophobicContact CE1-CB 4.21Å; F96-D289 HydrophobicContact CZ-CB 4.12Å; F96-F293 HydrophobicContact CB-CD1 3.72Å; F96-F293 HydrophobicContact CB-CE1 3.67Å; F96-F293 HydrophobicContact CB-CG 4.21Å; F96-F293 HydrophobicContact CB-CZ 4.1Å; F96-F293 HydrophobicContact CD1-CB 4.18Å; F96-F293 HydrophobicContact CD1-CD1 4.24Å; F96-F293 HydrophobicContact CD1-CG 4.13Å; F96-F293 HydrophobicContact CD2-CB 4.25Å; F96-F293 HydrophobicContact CD2-CD1 4.03Å; F96-F293 AromaticContact CD2-CD2 3.43Å; F96-F293 HydrophobicContact CD2-CD2 3.43Å; F96-F293 VanDerWaalsContact CD2-CD2 3.43Å; F96-F293 HydrophobicContact CD2-CE1 4.29Å; F96-F293 AromaticContact CD2-CE2 3.73Å; F96-F293 HydrophobicContact CD2-CE2 3.73Å; F96-F293 AromaticContact CD2-CG 3.62Å; F96-F293 HydrophobicContact CD2-CG 3.62Å; F96-F293 HydrophobicContact CD2-CZ 4.17Å; F96-F293 HydrophobicContact CE1-CB 4.07Å; F96-F293 HydrophobicContact CE1-CG 4.4Å; F96-F293 HydrophobicContact CE2-CB 4.13Å; F96-F293 AromaticContact CE2-CD2 3.65Å; F96-F293 HydrophobicContact CE2-CD2 3.65Å; F96-F293 HydrophobicContact CE2-CE2 4.29Å; F96-F293 AromaticContact CE2-CG 3.92Å; F96-F293 HydrophobicContact CE2-CG 3.92Å; F96-F293 HydrophobicContact CG-CB 4.26Å; F96-F293 AromaticContact CG-CD1 3.75Å; F96-F293 HydrophobicContact CG-CD1 3.75Å; F96-F293 HydrophobicContact CG-CD2 4.03Å; F96-F293 HydrophobicContact CG-CE1 4.11Å; F96-F293 HydrophobicContact CG-CE2 4.36Å; F96-F293 AromaticContact CG-CG 3.73Å; F96-F293 HydrophobicContact CG-CG 3.73Å; F96-F293 HydrophobicContact CG-CZ 4.42Å; F96-F293 HydrophobicContact CZ-CB 4.03Å; F96-F293 HydrophobicContact CZ-CD2 4.4Å; F96-F293 HydrophobicContact CZ-CG 4.29Å; F96-F294 HydrophobicContact CB-CE2 4.08Å; F96-F294 HydrophobicContact CB-CZ 3.85Å; F96-F294 HydrophobicContact CD1-CE2 4.06Å; F96-F294 HydrophobicContact CG-CE2 4.45Å |
| 97 | F | 89.2 | Confident | 86.3 | Confident | 30 Ų | 30 | 40.9 Ų | 40.9 | 13% | 0.132 | 21% | 0.211 | C | C | . | . | trans | -77.5 | 127.5 | 179 | -74.5 | -99.8 | 0 | 0 | 0 | 111.1 | V94 Y113 Q116 I117 Y203 G204 F294 | V94-F97 HydrophobicContact CB-CD2 4.42Å; V94-F97 HydrophobicContact CB-CE1 4.24Å; V94-F97 HydrophobicContact CB-CE2 3.88Å; V94-F97 HydrophobicContact CB-CZ 3.79Å; V94-F97 HydrophobicContact CG1-CD1 4.06Å; V94-F97 HydrophobicContact CG1-CD2 3.73Å; V94-F97 HydrophobicContact CG1-CE1 4.03Å; V94-F97 HydrophobicContact CG1-CE2 3.7Å; V94-F97 HydrophobicContact CG1-CG 3.93Å; V94-F97 HydrophobicContact CG1-CZ 3.87Å; V94-F97 HydrophobicContact CG2-CZ 4.46Å; F97-Y113 WeakPolarHBondContact CA-OH 3.3Å; F97-Y113 HydrophobicContact CD1-CD1 4.22Å; F97-Y113 AromaticContact CD1-CE1 3.93Å; F97-Y113 HydrophobicContact CD1-CE1 3.93Å; F97-Q116 HydrophobicContact CE1-CG 4.45Å; F97-Q116 HydrophobicContact CZ-CG 3.87Å; F97-I117 HydrophobicContact CE1-CD1 4.11Å; F97-I117 HydrophobicContact CE1-CG1 3.89Å; F97-Y203 HydrophobicContact CD1-CE2 4.38Å; F97-G204 VanDerWaalsContact CD2-CA 3.46Å; F97-F294 WeakPolarHBondContact O-CZ 3.49Å | ||
| 98 | I | 83.2 | Confident | 87 | Confident | 35 Ų | 35 | 42.8 Ų | 42.8 | 18% | 0.179 | 22% | 0.216 | C | C | . | . | trans | -80.8 | 135.2 | 172.5 | -54 | -53 | 0 | 0 | 0 | 110.1 | L46 D100 S103 L104 Y113 Y203 F293 F294 | L46-I98 HydrophobicContact CD2-CD1 3.7Å; L46-I98 HydrophobicContact CD2-CG1 3.81Å; I98-D100 PolarHBondContact O-N 2.79Å; I98-S103 WeakPolarHBondContact CG2-OG 3.35Å; I98-L104 HydrophobicContact CB-CD2 4.15Å; I98-L104 HydrophobicContact CG1-CD2 3.76Å; I98-Y113 PolarHBondContact N-OH 2.93Å; I98-Y113 VanDerWaalsContact N-OH 3.12Å; I98-Y203 PolarHBondContact O-OH 3.2Å; I98-F293 HydrophobicContact CD1-CE1 4.11Å; I98-F294 HydrophobicContact CD1-CE1 3.99Å | ||
| 99 | S | 73.6 | Confident | 87.4 | Confident | 71 Ų | 71 | 42 Ų | 42 | 50% | 0.497 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -66.6 | -24.8 | -177.9 | -45.9 | 0 | 0 | 0 | 0 | 113.9 | S224 | S99-S224 PolarHBondContact OG-OG 2.87Š|
| 100 | D | 74.4 | Confident | 87.8 | Confident | 69 Ų | 69 | 42 Ų | 42 | 37% | 0.369 | 21% | 0.212 | S | C | . | . | trans | -120 | 99.9 | 175.1 | 179.8 | 21.1 | 0 | 0 | 0 | 110.3 | I98 N102 S103 | I98-D100 PolarHBondContact O-N 2.79Å; D100-N102 PolarHBondContact O-N 3.14Å; D100-N102 WeakPolarHBondContact OD1-CB 3.47Å; D100-N102 PolarHBondContact OD1-N 3.01Å; D100-N102 VanDerWaalsContact OD1-N 3.11Å; D100-N102 PolarHBondContact OD1-ND2 3.31Å; D100-S103 WeakPolarHBondContact O-CB 3.46Å; D100-S103 PolarHBondContact O-N 2.97Å; D100-S103 VanDerWaalsContact O-N 3.08Å; D100-S103 PolarHBondContact O-OG 3.01Å | ||
| 101 | P | 74.3 | Confident | 88.1 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -58.7 | -23.4 | 176.4 | -24.2 | 34.9 | 0 | 0 | 0 | 113.9 | S103 L104 L194 R198 | P101-S103 PolarHBondContact O-N 3.05Å; P101-L104 HydrophobicContact CB-CD1 4.46Å; P101-L104 WeakPolarHBondContact O-CB 3.49Å; P101-L104 WeakPolarHBondContact O-CG 3.25Å; P101-L104 PolarHBondContact O-N 3.22Å; P101-L194 HydrophobicContact CB-CB 3.74Å; P101-L194 HydrophobicContact CB-CD1 4.19Å; P101-L194 HydrophobicContact CG-CB 3.93Å; P101-R198 HydrophobicContact CG-CB 4.42Å |
| 102 | N | 78 | Confident | 88.3 | Confident | 80 Ų | 80 | 43.9 Ų | 43.9 | 43% | 0.428 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -69.8 | -16.4 | 178.5 | -50.5 | -80.8 | 0 | 0 | 0 | 112.2 | D100 L191 N195 | D100-N102 PolarHBondContact O-N 3.14Å; D100-N102 WeakPolarHBondContact OD1-CB 3.47Å; D100-N102 PolarHBondContact OD1-N 3.01Å; D100-N102 VanDerWaalsContact OD1-N 3.11Å; D100-N102 PolarHBondContact OD1-ND2 3.31Å; N102-L191 WeakPolarHBondContact OD1-CD1 3.46Å; N102-N195 PolarHBondContact ND2-ND2 3.36Å; N102-N195 PolarHBondContact ND2-OD1 3.23Å; N102-N195 PolarHBondContact OD1-ND2 3.36Å |
| 103 | S | 82.3 | Confident | 88.3 | Confident | 52 Ų | 52 | 43.8 Ų | 43.8 | 36% | 0.364 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -86 | -8 | 173.7 | 74.2 | 0 | 0 | 0 | 0 | 114.7 | I98 D100 P101 Q105 | I98-S103 WeakPolarHBondContact CG2-OG 3.35Å; D100-S103 WeakPolarHBondContact O-CB 3.46Å; D100-S103 PolarHBondContact O-N 2.97Å; D100-S103 VanDerWaalsContact O-N 3.08Å; D100-S103 PolarHBondContact O-OG 3.01Å; P101-S103 PolarHBondContact O-N 3.05Å; S103-Q105 PolarHBondContact O-N 3.47Å; S103-Q105 PolarHBondContact O-NE2 3.26Å |
| 104 | L | 84.8 | Confident | 88.5 | Confident | 3 Ų | 3 | 42.3 Ų | 42.3 | 2% | 0.016 | 21% | 0.214 | C | C | . | . | trans | -70.5 | 116.3 | 174 | -62.9 | 174.6 | 0 | 0 | 0 | 109.1 | L46 I98 P101 T109 R110 Y113 | L46-L104 HydrophobicContact CD1-CD2 3.66Å; I98-L104 HydrophobicContact CB-CD2 4.15Å; I98-L104 HydrophobicContact CG1-CD2 3.76Å; P101-L104 HydrophobicContact CB-CD1 4.46Å; P101-L104 WeakPolarHBondContact O-CB 3.49Å; P101-L104 WeakPolarHBondContact O-CG 3.25Å; P101-L104 PolarHBondContact O-N 3.22Å; L104-T109 HydrophobicContact CB-CG2 4.4Å; L104-T109 HydrophobicContact CD1-CG2 4.43Å; L104-T109 HydrophobicContact CD2-CG2 4.01Å; L104-R110 HydrophobicContact CB-CG 3.78Å; L104-R110 HydrophobicContact CD1-CG 4.11Å; L104-R110 PolarHBondContact O-NH1 2.8Å; L104-Y113 HydrophobicContact CD1-CD1 3.78Å; L104-Y113 HydrophobicContact CD1-CD2 4.09Å; L104-Y113 HydrophobicContact CD1-CE1 3.88Å; L104-Y113 HydrophobicContact CD1-CE2 4.21Å; L104-Y113 HydrophobicContact CD1-CG 3.87Å; L104-Y113 HydrophobicContact CD2-CE2 4.31Å | ||
| 105 | Q | 84.6 | Confident | 88.6 | Confident | 140 Ų | 140 | 42.7 Ų | 42.7 | 65% | 0.654 | 22% | 0.216 | S | C | * | . | trans | -70.6 | -47 | -165.8 | -61.1 | -61.6 | -74.8 | 0 | 0 | 111.6 | E43 S103 R110 | E43-Q105 PolarHBondContact OE1-N 3.12Å; E43-Q105 PolarHBondContact OE2-N 3.24Å; S103-Q105 PolarHBondContact O-N 3.47Å; S103-Q105 PolarHBondContact O-NE2 3.26Å; Q105-R110 PolarHBondContact O-NH1 3.41Å; Q105-R110 VanDerWaalsContact O-NH1 3.09Å | ||
| 106 | H | 90.4 | Very high | 88.7 | Confident | 68 Ų | 68 | 42.2 Ų | 42.2 | 32% | 0.315 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -95.3 | 139 | -172.6 | -59.3 | -94 | 0 | 0 | 0 | 112.3 | Q42 E43 Q108 T109 R110 | Q42-H106 VanDerWaalsContact CD-CE1 3.45Å; Q42-H106 PolarHBondContact OE1-CE1 2.88Å; E43-H106 IonicContact OE2-CD2 2.82Å; E43-H106 PolarHBondContact OE2-CD2 2.88Å; E43-H106 IonicContact OE2-CG 2.59Å; E43-H106 PolarHBondContact OE2-N 3.23Å; H106-Q108 VanDerWaalsContact C-N 3.29Å; H106-Q108 PolarHBondContact O-N 2.82Å; H106-T109 VanDerWaalsContact O-CB 3.26Å; H106-T109 WeakPolarHBondContact O-CB 3.38Å; H106-T109 PolarHBondContact O-N 3.11Å; H106-R110 PolarHBondContact O-N 3.22Å |
| 107 | E | 90.1 | Very high | 88.7 | Confident | 105 Ų | 105 | 41.2 Ų | 41.2 | 49% | 0.491 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -58.3 | -41.1 | 178.6 | -165.7 | 162.4 | 145.7 | 0 | 0 | 112.5 | T109 R110 H111 S187 | E107-T109 VanDerWaalsContact C-N 3.27Å; E107-T109 PolarHBondContact O-N 3.33Å; E107-R110 WeakPolarHBondContact O-CA 3.38Å; E107-R110 WeakPolarHBondContact O-CB 3.34Å; E107-R110 PolarHBondContact O-N 2.82Å; E107-R110 IonicContact OE2-NH2 3.68Å; E107-H111 PolarHBondContact O-N 2.71Å; E107-S187 VanDerWaalsContact CD-OG 3.24Å; E107-S187 WeakPolarHBondContact OE1-CB 3.44Å; E107-S187 PolarHBondContact OE1-OG 3.24Å |
| 108 | Q | 94.1 | Very high | 89 | Confident | 85 Ų | 85 | 42.4 Ų | 42.4 | 40% | 0.397 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -60.5 | -34 | 174.5 | -167.1 | -178.6 | 45 | 0 | 0 | 113.1 | L39 H106 R110 H111 L112 | L39-Q108 PolarHBondContact O-NE2 3.04Å; L39-Q108 PolarHBondContact O-OE1 3.24Å; H106-Q108 VanDerWaalsContact C-N 3.29Å; H106-Q108 PolarHBondContact O-N 2.82Å; Q108-R110 VanDerWaalsContact C-N 3.35Å; Q108-H111 PolarHBondContact O-N 2.96Å; Q108-L112 HydrophobicContact CG-CD1 4.44Å; Q108-L112 VanDerWaalsContact O-CG 3.3Å; Q108-L112 WeakPolarHBondContact O-CG 3.27Å; Q108-L112 PolarHBondContact O-N 2.96Å |
| 109 | T | 95.4 | Very high | 89.5 | Confident | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.4 | -41.5 | 174.3 | -51.2 | 0 | 0 | 0 | 0 | 110.6 | E43 L46 F47 L104 H106 E107 L112 Y113 | E43-T109 HydrophobicContact CB-CG2 4.09Å; E43-T109 WeakPolarHBondContact OE2-CB 3.38Å; E43-T109 PolarHBondContact OE2-OG1 2.89Å; L46-T109 HydrophobicContact CD1-CG2 3.59Å; F47-T109 HydrophobicContact CE2-CG2 4.17Å; F47-T109 HydrophobicContact CZ-CG2 4.36Å; L104-T109 HydrophobicContact CB-CG2 4.4Å; L104-T109 HydrophobicContact CD1-CG2 4.43Å; L104-T109 HydrophobicContact CD2-CG2 4.01Å; H106-T109 VanDerWaalsContact O-CB 3.26Å; H106-T109 WeakPolarHBondContact O-CB 3.38Å; H106-T109 PolarHBondContact O-N 3.11Å; E107-T109 VanDerWaalsContact C-N 3.27Å; E107-T109 PolarHBondContact O-N 3.33Å; T109-L112 PolarHBondContact O-N 2.81Å; T109-Y113 HydrophobicContact CG2-CD2 4.34Å; T109-Y113 HydrophobicContact CG2-CE2 4.3Å; T109-Y113 WeakPolarHBondContact O-CD2 3.41Å; T109-Y113 PolarHBondContact O-N 3.48Å |
| 110 | R | 94.6 | Very high | 90.3 | Very high | 44 Ų | 44 | 38.8 Ų | 38.8 | 17% | 0.166 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.3 | -43.7 | 176 | -60.9 | -171.9 | -65.8 | -92.7 | 4 | 111.1 | L104 Q105 H106 E107 Q108 L112 Y113 F114 L194 | L104-R110 HydrophobicContact CB-CG 3.78Å; L104-R110 HydrophobicContact CD1-CG 4.11Å; L104-R110 PolarHBondContact O-NH1 2.8Å; Q105-R110 PolarHBondContact O-NH1 3.41Å; Q105-R110 VanDerWaalsContact O-NH1 3.09Å; H106-R110 PolarHBondContact O-N 3.22Å; E107-R110 WeakPolarHBondContact O-CA 3.38Å; E107-R110 WeakPolarHBondContact O-CB 3.34Å; E107-R110 PolarHBondContact O-N 2.82Å; E107-R110 IonicContact OE2-NH2 3.68Å; Q108-R110 VanDerWaalsContact C-N 3.35Å; R110-L112 PolarHBondContact O-N 3.14Å; R110-Y113 WeakPolarHBondContact O-CB 3.43Å; R110-Y113 PolarHBondContact O-N 2.96Å; R110-F114 PolarHBondContact O-N 3.4Å; R110-L194 HydrophobicContact CB-CD1 3.95Å; R110-L194 HydrophobicContact CG-CD1 4.48Å |
| 111 | H | 96.4 | Very high | 91.1 | Very high | 56 Ų | 56 | 36 Ų | 36 | 26% | 0.259 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -58.4 | -47.2 | 174.5 | -177.7 | 70.7 | 0 | 0 | 0 | 112.8 | E107 Q108 Y113 F114 L115 Q186 E190 | E107-H111 PolarHBondContact O-N 2.71Å; Q108-H111 PolarHBondContact O-N 2.96Å; H111-Y113 VanDerWaalsContact C-N 3.32Å; H111-Y113 PolarHBondContact O-N 3.23Å; H111-F114 WeakPolarHBondContact O-CB 3.28Å; H111-F114 PolarHBondContact O-N 3.48Å; H111-L115 WeakPolarHBondContact NE2-CD1 3.48Å; H111-L115 WeakPolarHBondContact O-CG 3.4Å; H111-L115 PolarHBondContact O-N 2.85Å; H111-Q186 PolarHBondContact ND1-NE2 3.46Å; H111-E190 WeakPolarHBondContact CA-OE2 3.41Å; H111-E190 WeakPolarHBondContact CB-OE2 3.45Å; H111-E190 IonicContact CE1-OE1 3.92Å; H111-E190 IonicContact CG-OE1 3.9Å; H111-E190 IonicContact CG-OE2 3.72Å; H111-E190 IonicContact ND1-OE1 3.37Å; H111-E190 PolarHBondContact ND1-OE1 3.42Å; H111-E190 IonicContact ND1-OE2 2.66Å; H111-E190 PolarHBondContact ND1-OE2 3.15Å |
| 112 | L | 96.6 | Very high | 92 | Very high | 11 Ų | 11 | 39.9 Ų | 39.9 | 6% | 0.058 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.5 | -34 | 176.7 | -68.1 | 170 | 0 | 0 | 0 | 112.3 | L13 L41 F47 Q108 T109 R110 Q116 | L13-L112 HydrophobicContact CB-CD2 4.29Å; L13-L112 HydrophobicContact CD1-CB 4.12Å; L13-L112 HydrophobicContact CD1-CD2 4.18Å; L41-L112 HydrophobicContact CD1-CD1 3.93Å; L41-L112 HydrophobicContact CD2-CD1 4.23Å; F47-L112 HydrophobicContact CE1-CB 3.74Å; F47-L112 HydrophobicContact CE1-CD1 4.18Å; F47-L112 HydrophobicContact CZ-CB 3.76Å; F47-L112 HydrophobicContact CZ-CD1 3.99Å; Q108-L112 HydrophobicContact CG-CD1 4.44Å; Q108-L112 VanDerWaalsContact O-CG 3.3Å; Q108-L112 WeakPolarHBondContact O-CG 3.27Å; Q108-L112 PolarHBondContact O-N 2.96Å; T109-L112 PolarHBondContact O-N 2.81Å; R110-L112 PolarHBondContact O-N 3.14Å; L112-Q116 WeakPolarHBondContact O-CB 3.39Å; L112-Q116 PolarHBondContact O-N 3.28Å |
| 113 | Y | 96.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.1 | -45.3 | 170.6 | -98.3 | -122.6 | 0 | 0 | 0 | 112.1 | L46 F47 V94 F96 F97 I98 L104 T109 R110 H111 Q116 I117 | L46-Y113 HydrophobicContact CB-CE2 4.4Å; L46-Y113 HydrophobicContact CD1-CE2 4.16Å; F47-Y113 HydrophobicContact CZ-CD2 4.11Å; F47-Y113 HydrophobicContact CZ-CE2 4.23Å; V94-Y113 HydrophobicContact CG1-CD2 4.33Å; V94-Y113 HydrophobicContact CG1-CE1 4.39Å; V94-Y113 HydrophobicContact CG1-CE2 3.74Å; V94-Y113 HydrophobicContact CG2-CD2 3.79Å; V94-Y113 HydrophobicContact CG2-CE2 3.99Å; V94-Y113 HydrophobicContact CG2-CG 4.32Å; F96-Y113 PolarHBondContact O-OH 2.96Å; F97-Y113 WeakPolarHBondContact CA-OH 3.3Å; F97-Y113 HydrophobicContact CD1-CD1 4.22Å; F97-Y113 AromaticContact CD1-CE1 3.93Å; F97-Y113 HydrophobicContact CD1-CE1 3.93Å; I98-Y113 PolarHBondContact N-OH 2.93Å; I98-Y113 VanDerWaalsContact N-OH 3.12Å; L104-Y113 HydrophobicContact CD1-CD1 3.78Å; L104-Y113 HydrophobicContact CD1-CD2 4.09Å; L104-Y113 HydrophobicContact CD1-CE1 3.88Å; L104-Y113 HydrophobicContact CD1-CE2 4.21Å; L104-Y113 HydrophobicContact CD1-CG 3.87Å; L104-Y113 HydrophobicContact CD2-CE2 4.31Å; T109-Y113 HydrophobicContact CG2-CD2 4.34Å; T109-Y113 HydrophobicContact CG2-CE2 4.3Å; T109-Y113 WeakPolarHBondContact O-CD2 3.41Å; T109-Y113 PolarHBondContact O-N 3.48Å; R110-Y113 WeakPolarHBondContact O-CB 3.43Å; R110-Y113 PolarHBondContact O-N 2.96Å; H111-Y113 VanDerWaalsContact C-N 3.32Å; H111-Y113 PolarHBondContact O-N 3.23Å; Y113-Q116 PolarHBondContact O-N 3.44Å; Y113-I117 WeakPolarHBondContact O-CG1 3.29Å; Y113-I117 PolarHBondContact O-N 3.29Å |
| 114 | F | 97.4 | Very high | 92.5 | Very high | 1 Ų | 1 | 38 Ų | 38 | 0% | 0.004 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57.7 | -51.5 | 175.5 | 157.3 | -103 | 0 | 0 | 0 | 110.7 | R110 H111 Q116 I117 R118 A140 E144 E190 F193 | R110-F114 PolarHBondContact O-N 3.4Å; H111-F114 WeakPolarHBondContact O-CB 3.28Å; H111-F114 PolarHBondContact O-N 3.48Å; F114-Q116 PolarHBondContact O-N 3.49Å; F114-I117 PolarHBondContact O-N 2.91Å; F114-R118 VanDerWaalsContact O-CB 3.24Å; F114-R118 WeakPolarHBondContact O-CB 3.36Å; F114-R118 PolarHBondContact O-N 2.94Å; F114-A140 HydrophobicContact CE2-CB 3.79Å; F114-A140 HydrophobicContact CZ-CB 3.87Å; F114-E144 HydrophobicContact CZ-CG 4.45Å; F114-E190 HydrophobicContact CB-CB 4.29Å; F114-E190 HydrophobicContact CB-CG 4.18Å; F114-E190 HydrophobicContact CD1-CG 3.89Å; F114-E190 HydrophobicContact CD2-CG 4.19Å; F114-E190 HydrophobicContact CE1-CG 4.32Å; F114-E190 HydrophobicContact CG-CB 4.34Å; F114-E190 HydrophobicContact CG-CG 3.82Å; F114-F193 HydrophobicContact CD2-CB 4.15Å; F114-F193 AromaticContact CD2-CD1 3.61Å; F114-F193 HydrophobicContact CD2-CD1 3.61Å; F114-F193 AromaticContact CD2-CD2 3.92Å; F114-F193 HydrophobicContact CD2-CD2 3.92Å; F114-F193 AromaticContact CD2-CE1 3.86Å; F114-F193 HydrophobicContact CD2-CE1 3.86Å; F114-F193 HydrophobicContact CD2-CE2 4.16Å; F114-F193 AromaticContact CD2-CG 3.64Å; F114-F193 HydrophobicContact CD2-CG 3.64Å; F114-F193 HydrophobicContact CD2-CZ 4.14Å; F114-F193 HydrophobicContact CE2-CD1 4.3Å; F114-F193 AromaticContact CE2-CD2 3.76Å; F114-F193 HydrophobicContact CE2-CD2 3.76Å; F114-F193 HydrophobicContact CE2-CE1 4.44Å; F114-F193 AromaticContact CE2-CE2 3.94Å; F114-F193 HydrophobicContact CE2-CE2 3.94Å; F114-F193 AromaticContact CE2-CG 3.97Å; F114-F193 HydrophobicContact CE2-CG 3.97Å; F114-F193 HydrophobicContact CE2-CZ 4.28Å |
| 115 | L | 96.9 | Very high | 92.5 | Very high | 11 Ų | 11 | 40.6 Ų | 40.6 | 6% | 0.058 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57.3 | -44.6 | 176.5 | -73.6 | 179.6 | 0 | 0 | 0 | 112.6 | L13 D14 H111 S119 | L13-L115 HydrophobicContact CB-CB 4.04Å; L13-L115 HydrophobicContact CB-CD1 4.35Å; D14-L115 HydrophobicContact CB-CD1 4.36Å; H111-L115 WeakPolarHBondContact NE2-CD1 3.48Å; H111-L115 WeakPolarHBondContact O-CG 3.4Å; H111-L115 PolarHBondContact O-N 2.85Å; L115-S119 WeakPolarHBondContact O-CB 3.49Å; L115-S119 PolarHBondContact O-N 3.35Å |
| 116 | Q | 95.7 | Very high | 92.6 | Very high | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.009 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.4 | -48.6 | 178.1 | 176.8 | 64.9 | 104 | 0 | 0 | 112 | L13 R93 V94 F97 L112 Y113 F114 S119 D120 | L13-Q116 HydrophobicContact CD1-CB 4.31Å; L13-Q116 HydrophobicContact CD2-CB 3.93Å; L13-Q116 HydrophobicContact CD2-CG 4.38Å; R93-Q116 VanDerWaalsContact CB-OE1 3.24Å; V94-Q116 HydrophobicContact CB-CG 4.02Å; V94-Q116 HydrophobicContact CG2-CB 3.77Å; V94-Q116 HydrophobicContact CG2-CG 3.78Å; F97-Q116 HydrophobicContact CE1-CG 4.45Å; F97-Q116 HydrophobicContact CZ-CG 3.87Å; L112-Q116 WeakPolarHBondContact O-CB 3.39Å; L112-Q116 PolarHBondContact O-N 3.28Å; Y113-Q116 PolarHBondContact O-N 3.44Å; F114-Q116 PolarHBondContact O-N 3.49Å; Q116-S119 PolarHBondContact O-N 3.26Å; Q116-D120 PolarHBondContact NE2-OD1 3.43Å; Q116-D120 PolarHBondContact NE2-OD2 2.62Å; Q116-D120 WeakPolarHBondContact O-CB 3.5Å; Q116-D120 PolarHBondContact O-N 3.48Å |
| 117 | I | 94.9 | Very high | 92 | Very high | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -70.2 | -39.4 | -177 | -68.6 | 165.4 | 0 | 0 | 0 | 110.7 | F97 Y113 F114 D120 I121 L126 F193 L194 A197 Y203 | F97-I117 HydrophobicContact CE1-CD1 4.11Å; F97-I117 HydrophobicContact CE1-CG1 3.89Å; Y113-I117 WeakPolarHBondContact O-CG1 3.29Å; Y113-I117 PolarHBondContact O-N 3.29Å; F114-I117 PolarHBondContact O-N 2.91Å; I117-D120 PolarHBondContact O-N 3.12Å; I117-D120 VanDerWaalsContact O-N 3.17Å; I117-I121 HydrophobicContact CG2-CD1 3.97Å; I117-I121 WeakPolarHBondContact O-CG1 3.37Å; I117-I121 PolarHBondContact O-N 2.59Å; I117-L126 HydrophobicContact CG2-CD2 3.88Å; I117-F193 HydrophobicContact CB-CE1 3.96Å; I117-F193 HydrophobicContact CG2-CE1 3.55Å; I117-F193 HydrophobicContact CG2-CZ 4.06Å; I117-L194 HydrophobicContact CD1-CD2 3.63Å; I117-A197 HydrophobicContact CD1-CB 4.42Å; I117-A197 HydrophobicContact CG2-CB 3.79Å; I117-Y203 HydrophobicContact CD1-CD2 4.28Å; I117-Y203 HydrophobicContact CD1-CE2 3.72Å |
| 118 | R | 94.9 | Very high | 91.2 | Very high | 54 Ų | 54 | 32.9 Ų | 32.9 | 20% | 0.204 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.3 | -46.2 | 173.2 | -173.1 | -179.8 | 70.1 | 123.7 | -6 | 111.7 | F114 D120 R122 E144 F193 | F114-R118 VanDerWaalsContact O-CB 3.24Å; F114-R118 WeakPolarHBondContact O-CB 3.36Å; F114-R118 PolarHBondContact O-N 2.94Å; R118-D120 VanDerWaalsContact C-N 3.35Å; R118-R122 VanDerWaalsContact O-CB 3.25Å; R118-R122 WeakPolarHBondContact O-CB 3.34Å; R118-R122 PolarHBondContact O-N 2.94Å; R118-E144 VanDerWaalsContact CD-OE1 3.22Å; R118-E144 WeakPolarHBondContact CD-OE1 3.33Å; R118-E144 IonicContact CZ-OE1 2.88Å; R118-E144 IonicContact CZ-OE2 2.6Å; R118-E144 IonicContact NE-OE1 2.72Å; R118-E144 PolarHBondContact NE-OE1 3.33Å; R118-E144 IonicContact NH1-OE1 3.6Å; R118-E144 PolarHBondContact NH1-OE1 2.91Å; R118-E144 IonicContact NH1-OE2 2.66Å; R118-E144 PolarHBondContact NH1-OE2 3Å; R118-E144 IonicContact NH2-OE2 2.68Å; R118-F193 HydrophobicContact CB-CZ 4.13Å |
| 119 | S | 92.7 | Very high | 90.4 | Very high | 17 Ų | 17 | 32.7 Ų | 32.7 | 12% | 0.119 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.8 | -40.5 | 172.6 | 167.8 | 0 | 0 | 0 | 0 | 112.1 | L115 Q116 E123 R125 | L115-S119 WeakPolarHBondContact O-CB 3.49Å; L115-S119 PolarHBondContact O-N 3.35Å; Q116-S119 PolarHBondContact O-N 3.26Å; S119-E123 WeakPolarHBondContact CB-OE1 3.35Å; S119-E123 VanDerWaalsContact O-CB 3.25Å; S119-E123 WeakPolarHBondContact O-CB 3.48Å; S119-E123 WeakPolarHBondContact O-CG 3.44Å; S119-E123 PolarHBondContact O-N 3.22Å; S119-E123 VanDerWaalsContact OG-CD 3.28Å; S119-E123 PolarHBondContact OG-OE1 2.75Å; S119-E123 PolarHBondContact OG-OE2 2.85Å; S119-R125 PolarHBondContact OG-NH2 2.89Å |
| 120 | D | 91.6 | Very high | 89.6 | Confident | 13 Ų | 13 | 38.2 Ų | 38.2 | 7% | 0.07 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -71.2 | -33.2 | -178.5 | -71.5 | -27.7 | 0 | 0 | 0 | 113.7 | R93 Q116 I117 R118 G124 R125 L126 | R93-D120 IonicContact CZ-OD1 3.41Å; R93-D120 IonicContact NH1-OD1 3.66Å; R93-D120 IonicContact NH2-OD1 2.66Å; R93-D120 PolarHBondContact NH2-OD1 3.17Å; R93-D120 IonicContact NH2-OD2 2.68Å; R93-D120 PolarHBondContact NH2-OD2 2.72Å; Q116-D120 PolarHBondContact NE2-OD1 3.43Å; Q116-D120 PolarHBondContact NE2-OD2 2.62Å; Q116-D120 WeakPolarHBondContact O-CB 3.5Å; Q116-D120 PolarHBondContact O-N 3.48Å; I117-D120 PolarHBondContact O-N 3.12Å; I117-D120 VanDerWaalsContact O-N 3.17Å; R118-D120 VanDerWaalsContact C-N 3.35Å; D120-G124 PolarHBondContact O-N 3.47Å; D120-R125 HydrophobicContact CB-CB 4.24Å; D120-R125 WeakPolarHBondContact O-CA 3.42Å; D120-R125 PolarHBondContact O-N 3.2Å; D120-R125 IonicContact OD1-CZ 2.78Å; D120-R125 IonicContact OD1-NE 3.41Å; D120-R125 PolarHBondContact OD1-NE 2.9Å; D120-R125 IonicContact OD1-NH2 2.76Å; D120-R125 PolarHBondContact OD1-NH2 3.34Å; D120-L126 HydrophobicContact CB-CB 3.95Å; D120-L126 PolarHBondContact O-N 2.8Å |
| 121 | I | 91.3 | Very high | 88.7 | Confident | 11 Ų | 11 | 40.3 Ų | 40.3 | 6% | 0.056 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -70.1 | -51.8 | 171 | -67.6 | 168.5 | 0 | 0 | 0 | 109.9 | I117 E123 G124 L126 C128 L136 I163 F193 L200 | I117-I121 HydrophobicContact CG2-CD1 3.97Å; I117-I121 WeakPolarHBondContact O-CG1 3.37Å; I117-I121 PolarHBondContact O-N 2.59Å; I121-E123 PolarHBondContact O-N 3.19Å; I121-G124 PolarHBondContact O-N 2.61Å; I121-L126 HydrophobicContact CD1-CD2 4.35Å; I121-L126 HydrophobicContact CG1-CB 4.08Å; I121-L126 HydrophobicContact CG1-CD2 3.98Å; I121-L126 HydrophobicContact CG1-CG 4.02Å; I121-C128 HydrophobicContact CG2-CB 4.47Å; I121-L136 HydrophobicContact CD1-CD1 3.74Å; I121-I163 HydrophobicContact CG2-CG2 3.84Å; I121-F193 HydrophobicContact CD1-CZ 4.44Å; I121-L200 HydrophobicContact CD1-CD1 4.45Å |
| 122 | R | 92.1 | Very high | 87.5 | Confident | 82 Ų | 82 | 38.7 Ų | 38.7 | 31% | 0.309 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -56 | -36.1 | 179.4 | -178.2 | -174.1 | 67.4 | -172.9 | -1.1 | 113.5 | R118 H161 F162 P164 | R118-R122 VanDerWaalsContact O-CB 3.25Å; R118-R122 WeakPolarHBondContact O-CB 3.34Å; R118-R122 PolarHBondContact O-N 2.94Å; R122-H161 WeakPolarHBondContact CD-O 3.29Å; R122-H161 WeakPolarHBondContact CG-O 3.5Å; R122-F162 VanDerWaalsContact CA-O 3.24Å; R122-F162 WeakPolarHBondContact CA-O 3.44Å; R122-F162 PolarHBondContact N-O 2.99Å; R122-P164 WeakPolarHBondContact O-CD 3.3Å; R122-P164 WeakPolarHBondContact O-CG 3.43Å |
| 123 | E | 86.9 | Confident | 86.9 | Confident | 50 Ų | 50 | 38.3 Ų | 38.3 | 23% | 0.234 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | 17.6 | -177.3 | -63.9 | 153 | -127.5 | 0 | 0 | 112.5 | S119 I121 R125 | S119-E123 WeakPolarHBondContact CB-OE1 3.35Å; S119-E123 VanDerWaalsContact O-CB 3.25Å; S119-E123 WeakPolarHBondContact O-CB 3.48Å; S119-E123 WeakPolarHBondContact O-CG 3.44Å; S119-E123 PolarHBondContact O-N 3.22Å; S119-E123 VanDerWaalsContact OG-CD 3.28Å; S119-E123 PolarHBondContact OG-OE1 2.75Å; S119-E123 PolarHBondContact OG-OE2 2.85Å; I121-E123 PolarHBondContact O-N 3.19Å; E123-R125 PolarHBondContact O-N 3.06Å; E123-R125 IonicContact OE1-NH2 3.78Å; E123-R125 IonicContact OE2-CZ 2.66Å; E123-R125 IonicContact OE2-NH1 3.67Å; E123-R125 PolarHBondContact OE2-NH1 2.97Å; E123-R125 IonicContact OE2-NH2 3.99Å; E123-R125 PolarHBondContact OE2-NH2 3.5Å |
| 124 | G | 85.2 | Confident | 86.2 | Confident | 41 Ų | 41 | 39 Ų | 39 | 42% | 0.423 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.7 | 12.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | D120 I121 | D120-G124 PolarHBondContact O-N 3.47Å; I121-G124 PolarHBondContact O-N 2.61Å |
| 125 | R | 83.8 | Confident | 85.1 | Confident | 58 Ų | 58 | 41.2 Ų | 41.2 | 22% | 0.219 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -84.2 | -33.2 | -178.6 | -64.9 | -171.8 | -68.8 | -96.1 | -1.4 | 112.9 | T65 S119 D120 E123 | T65-R125 HydrophobicContact CG2-CG 3.74Å; S119-R125 PolarHBondContact OG-NH2 2.89Å; D120-R125 HydrophobicContact CB-CB 4.24Å; D120-R125 WeakPolarHBondContact O-CA 3.42Å; D120-R125 PolarHBondContact O-N 3.2Å; D120-R125 IonicContact OD1-CZ 2.78Å; D120-R125 IonicContact OD1-NE 3.41Å; D120-R125 PolarHBondContact OD1-NE 2.9Å; D120-R125 IonicContact OD1-NH2 2.76Å; D120-R125 PolarHBondContact OD1-NH2 3.34Å; E123-R125 PolarHBondContact O-N 3.06Å; E123-R125 IonicContact OE1-NH2 3.78Å; E123-R125 IonicContact OE2-CZ 2.66Å; E123-R125 IonicContact OE2-NH1 3.67Å; E123-R125 PolarHBondContact OE2-NH1 2.97Å; E123-R125 IonicContact OE2-NH2 3.99Å; E123-R125 PolarHBondContact OE2-NH2 3.5Å |
| 126 | L | 86.8 | Confident | 84.4 | Confident | 13 Ų | 13 | 40.8 Ų | 40.8 | 7% | 0.068 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -106.6 | 96.7 | 171.6 | 176.6 | 52.2 | 0 | 0 | 0 | 108 | I117 D120 I121 C128 L200 L202 | I117-L126 HydrophobicContact CG2-CD2 3.88Å; D120-L126 HydrophobicContact CB-CB 3.95Å; D120-L126 PolarHBondContact O-N 2.8Å; I121-L126 HydrophobicContact CD1-CD2 4.35Å; I121-L126 HydrophobicContact CG1-CB 4.08Å; I121-L126 HydrophobicContact CG1-CD2 3.98Å; I121-L126 HydrophobicContact CG1-CG 4.02Å; L126-C128 PolarHBondContact O-N 2.84Å; L126-L200 HydrophobicContact CD1-CB 4.35Å; L126-L200 HydrophobicContact CD1-CD1 4.27Å; L126-L200 HydrophobicContact CD2-CD1 3.98Å; L126-L200 HydrophobicContact CG-CD1 4.05Å; L126-L202 HydrophobicContact CD1-CB 3.77Å |
| 127 | Q | 78.6 | Confident | 84.3 | Confident | 111 Ų | 111 | 41 Ų | 41 | 52% | 0.519 | 23% | 0.229 | S | C | . | . | trans | -61.1 | 133.6 | 175 | -68.6 | -177.6 | -32 | 0 | 0 | 109.8 | L202 | Q127-L202 HydrophobicContact CB-CD1 4.2Š| ||
| 128 | C | 72.8 | Confident | 83.9 | Confident | 28 Ų | 28 | 40.9 Ų | 40.9 | 19% | 0.189 | 23% | 0.229 | C | C | . | . | trans | -143.2 | 128.2 | -171.7 | -172.5 | 0 | 0 | 0 | 0 | 108.7 | I121 L126 L130 A133 L200 | I121-C128 HydrophobicContact CG2-CB 4.47Å; L126-C128 PolarHBondContact O-N 2.84Å; C128-L130 PolarHBondContact O-N 3.22Å; C128-A133 HydrophobicContact CB-CB 4.36Å; C128-A133 PolarHBondContact SG-N 2.96Å; C128-A133 VanDerWaalsContact SG-N 3.45Å; C128-L200 HydrophobicContact CB-CD1 4.22Å; C128-L200 HydrophobicContact CB-CD2 4.4Å | ||
| 129 | P | 76.5 | Confident | 83.5 | Confident | 81 Ų | 81 | 40.4 Ų | 40.4 | 53% | 0.526 | 23% | 0.227 | S | C | . | . | trans | -58.2 | 138.6 | 173.2 | -23.3 | 33.8 | 0 | 0 | 0 | 110.7 | S131 A132 A133 | P129-S131 PolarHBondContact O-N 3.49Å; P129-A132 WeakPolarHBondContact O-CA 3.33Å; P129-A132 WeakPolarHBondContact O-CB 3.45Å; P129-A132 PolarHBondContact O-N 2.82Å; P129-A133 PolarHBondContact O-N 2.93Å | ||
| 130 | L | 78.9 | Confident | 83.7 | Confident | 117 Ų | 117 | 39.6 Ų | 39.6 | 61% | 0.613 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -51.8 | -38.1 | -175.2 | -68.5 | 173.9 | 0 | 0 | 0 | 113.2 | C128 A132 A133 V134 I163 F170 | C128-L130 PolarHBondContact O-N 3.22Å; L130-A132 PolarHBondContact O-N 2.92Å; L130-A133 PolarHBondContact O-N 3.33Å; L130-V134 WeakPolarHBondContact O-CG2 3.24Å; L130-V134 PolarHBondContact O-N 2.81Å; L130-I163 HydrophobicContact CD2-CD1 3.53Å; L130-F170 HydrophobicContact CD2-CD2 4.43Å |
| 131 | S | 76.1 | Confident | 83.9 | Confident | 87 Ų | 87 | 39.1 Ų | 39.1 | 61% | 0.608 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -63.6 | -35.6 | 176.1 | 51.8 | 0 | 0 | 0 | 0 | 114 | P129 V135 | P129-S131 PolarHBondContact O-N 3.49Å; S131-V135 WeakPolarHBondContact O-CG2 3.34Å |
| 132 | A | 71.3 | Confident | 84 | Confident | 23 Ų | 23 | 38.8 Ų | 38.8 | 19% | 0.19 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -78.6 | -36.1 | 173 | 0 | 0 | 0 | 0 | 0 | 111.5 | P129 L130 V135 L136 L200 | P129-A132 WeakPolarHBondContact O-CA 3.33Å; P129-A132 WeakPolarHBondContact O-CB 3.45Å; P129-A132 PolarHBondContact O-N 2.82Å; L130-A132 PolarHBondContact O-N 2.92Å; A132-V135 PolarHBondContact O-N 2.87Å; A132-L136 WeakPolarHBondContact O-CB 3.13Å; A132-L136 VanDerWaalsContact O-CG 3.29Å; A132-L136 WeakPolarHBondContact O-CG 3.45Å; A132-L136 PolarHBondContact O-N 3.24Å; A132-L200 HydrophobicContact CB-CD2 4.25Å |
| 133 | A | 83.2 | Confident | 84.1 | Confident | 3 Ų | 3 | 35.2 Ų | 35.2 | 3% | 0.025 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.8 | -39.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | C128 P129 L130 L136 A137 I163 F170 | C128-A133 HydrophobicContact CB-CB 4.36Å; C128-A133 PolarHBondContact SG-N 2.96Å; C128-A133 VanDerWaalsContact SG-N 3.45Å; P129-A133 PolarHBondContact O-N 2.93Å; L130-A133 PolarHBondContact O-N 3.33Å; A133-L136 PolarHBondContact O-N 3.49Å; A133-A137 VanDerWaalsContact O-CB 3.24Å; A133-A137 WeakPolarHBondContact O-CB 3.36Å; A133-A137 PolarHBondContact O-N 2.62Å; A133-I163 HydrophobicContact CB-CG2 3.92Å; A133-F170 HydrophobicContact CB-CE2 3.8Å; A133-F170 HydrophobicContact CB-CZ 4.21Å |
| 134 | V | 82.9 | Confident | 84.5 | Confident | 15 Ų | 15 | 37.3 Ų | 37.3 | 9% | 0.091 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.4 | -47.6 | 172.2 | 165 | 0 | 0 | 0 | 0 | 111.2 | L130 A137 S138 F170 K173 V174 L177 | L130-V134 WeakPolarHBondContact O-CG2 3.24Å; L130-V134 PolarHBondContact O-N 2.81Å; V134-A137 PolarHBondContact O-N 2.74Å; V134-S138 WeakPolarHBondContact O-CB 3.43Å; V134-S138 PolarHBondContact O-N 3.29Å; V134-F170 HydrophobicContact CB-CE2 4.29Å; V134-F170 HydrophobicContact CG2-CD2 3.46Å; V134-F170 VanDerWaalsContact CG2-CD2 3.46Å; V134-F170 HydrophobicContact CG2-CE2 3.46Å; V134-F170 VanDerWaalsContact CG2-CE2 3.46Å; V134-F170 HydrophobicContact CG2-CG 4.17Å; V134-F170 HydrophobicContact CG2-CZ 4.15Å; V134-K173 HydrophobicContact CG1-CB 3.83Å; V134-K173 HydrophobicContact CG2-CB 4.15Å; V134-V174 HydrophobicContact CB-CG2 4.39Å; V134-V174 HydrophobicContact CG1-CG2 4.17Å; V134-V174 HydrophobicContact CG2-CG2 4.42Å; V134-L177 HydrophobicContact CG1-CD1 3.77Å; V134-L177 HydrophobicContact CG1-CG 4.42Å |
| 135 | V | 74.9 | Confident | 84.8 | Confident | 46 Ų | 46 | 38.5 Ų | 38.5 | 28% | 0.279 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -62.4 | -46.2 | 178.3 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | S131 A132 S138 Y139 L177 T196 | S131-V135 WeakPolarHBondContact O-CG2 3.34Å; A132-V135 PolarHBondContact O-N 2.87Å; V135-S138 PolarHBondContact O-N 3.43Å; V135-S138 PolarHBondContact O-OG 2.86Å; V135-Y139 HydrophobicContact CG1-CD2 3.98Å; V135-Y139 HydrophobicContact CG1-CE2 3.61Å; V135-Y139 WeakPolarHBondContact O-CD2 3.49Å; V135-Y139 PolarHBondContact O-N 3.06Å; V135-Y139 VanDerWaalsContact O-N 3.11Å; V135-L177 HydrophobicContact CG2-CD1 3.89Å; V135-T196 HydrophobicContact CG1-CG2 4.26Å |
| 136 | L | 81.1 | Confident | 85.2 | Confident | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.2 | -44.3 | 177.2 | -72.9 | 166.5 | 0 | 0 | 0 | 111.9 | I121 A132 A133 S138 Y139 A140 F193 T196 A197 L200 | I121-L136 HydrophobicContact CD1-CD1 3.74Å; A132-L136 WeakPolarHBondContact O-CB 3.13Å; A132-L136 VanDerWaalsContact O-CG 3.29Å; A132-L136 WeakPolarHBondContact O-CG 3.45Å; A132-L136 PolarHBondContact O-N 3.24Å; A133-L136 PolarHBondContact O-N 3.49Å; L136-S138 VanDerWaalsContact C-N 3.31Å; L136-S138 PolarHBondContact O-N 2.78Å; L136-Y139 PolarHBondContact O-N 3.35Å; L136-A140 PolarHBondContact O-N 2.87Å; L136-F193 HydrophobicContact CB-CD2 4.07Å; L136-F193 HydrophobicContact CB-CE2 3.74Å; L136-F193 HydrophobicContact CB-CZ 4.39Å; L136-F193 HydrophobicContact CD2-CB 4.48Å; L136-F193 HydrophobicContact CD2-CD1 4.07Å; L136-F193 HydrophobicContact CD2-CD2 3.72Å; L136-F193 HydrophobicContact CD2-CE1 4.24Å; L136-F193 HydrophobicContact CD2-CE2 3.89Å; L136-F193 HydrophobicContact CD2-CG 3.8Å; L136-F193 HydrophobicContact CD2-CZ 4.15Å; L136-F193 VanDerWaalsContact CD2-O 3.29Å; L136-F193 WeakPolarHBondContact CD2-O 2.96Å; L136-F193 HydrophobicContact CG-CE2 4.42Å; L136-F193 WeakPolarHBondContact O-CD2 3.41Å; L136-F193 VanDerWaalsContact O-CE2 3.28Å; L136-F193 WeakPolarHBondContact O-CE2 3.41Å; L136-T196 HydrophobicContact CD2-CG2 3.81Å; L136-T196 HydrophobicContact CG-CG2 3.98Å; L136-A197 HydrophobicContact CD2-CB 4.03Å; L136-L200 HydrophobicContact CD1-CD1 4.1Å |
| 137 | A | 92.9 | Very high | 85.4 | Confident | 6 Ų | 6 | 39.6 Ų | 39.6 | 5% | 0.05 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.5 | -40.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | A133 V134 Y139 A140 V141 F162 F170 V174 | A133-A137 VanDerWaalsContact O-CB 3.24Å; A133-A137 WeakPolarHBondContact O-CB 3.36Å; A133-A137 PolarHBondContact O-N 2.62Å; V134-A137 PolarHBondContact O-N 2.74Å; A137-Y139 PolarHBondContact O-N 3.48Å; A137-A140 WeakPolarHBondContact O-CB 3.48Å; A137-A140 PolarHBondContact O-N 2.8Å; A137-A140 VanDerWaalsContact O-N 3.14Å; A137-V141 WeakPolarHBondContact O-CG2 3.08Å; A137-V141 PolarHBondContact O-N 3.31Å; A137-F162 HydrophobicContact CB-CB 3.99Å; A137-F162 HydrophobicContact CB-CD1 3.62Å; A137-F162 HydrophobicContact CB-CD2 4.3Å; A137-F162 HydrophobicContact CB-CE1 4.12Å; A137-F162 HydrophobicContact CB-CG 3.72Å; A137-F170 HydrophobicContact CB-CE1 4.08Å; A137-F170 HydrophobicContact CB-CZ 3.95Å; A137-V174 HydrophobicContact CB-CB 4.47Å; A137-V174 HydrophobicContact CB-CG1 3.95Å; A137-V174 HydrophobicContact CB-CG2 3.56Å |
| 138 | S | 88.4 | Confident | 85.9 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.4 | -35.5 | 178.4 | 73.7 | 0 | 0 | 0 | 0 | 113.5 | V134 V135 L136 V141 Q142 H181 | V134-S138 WeakPolarHBondContact O-CB 3.43Å; V134-S138 PolarHBondContact O-N 3.29Å; V135-S138 PolarHBondContact O-N 3.43Å; V135-S138 PolarHBondContact O-OG 2.86Å; L136-S138 VanDerWaalsContact C-N 3.31Å; L136-S138 PolarHBondContact O-N 2.78Å; S138-V141 PolarHBondContact O-N 3.09Å; S138-Q142 PolarHBondContact O-N 3.27Å; S138-Q142 VanDerWaalsContact O-N 3.1Å; S138-H181 WeakPolarHBondContact CB-NE2 3.42Å; S138-H181 PolarHBondContact O-CD2 3.31Å; S138-H181 PolarHBondContact OG-NE2 3.02Å |
| 139 | Y | 86.3 | Confident | 86.5 | Confident | 44 Ų | 44 | 38.1 Ų | 38.1 | 17% | 0.173 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -70.7 | -36.1 | 170.6 | -72.8 | -55 | 0 | 0 | 0 | 112.6 | V135 L136 A137 V141 Q142 S143 H181 L184 C192 | V135-Y139 HydrophobicContact CG1-CD2 3.98Å; V135-Y139 HydrophobicContact CG1-CE2 3.61Å; V135-Y139 WeakPolarHBondContact O-CD2 3.49Å; V135-Y139 PolarHBondContact O-N 3.06Å; V135-Y139 VanDerWaalsContact O-N 3.11Å; L136-Y139 PolarHBondContact O-N 3.35Å; A137-Y139 PolarHBondContact O-N 3.48Å; Y139-V141 VanDerWaalsContact C-N 3.32Å; Y139-Q142 PolarHBondContact O-N 3.07Å; Y139-S143 VanDerWaalsContact O-CB 3.26Å; Y139-S143 WeakPolarHBondContact O-CB 3.41Å; Y139-S143 PolarHBondContact O-N 3.11Å; Y139-H181 AromaticContact CD1-CE1 3.79Å; Y139-H181 AromaticContact CD1-ND1 3.87Å; Y139-H181 AromaticContact CD1-NE2 3.89Å; Y139-H181 AromaticContact CE1-CE1 3.3Å; Y139-H181 WeakPolarHBondContact CE1-CE1 3.35Å; Y139-H181 AromaticContact CE1-CG 3.93Å; Y139-H181 AromaticContact CE1-ND1 3.31Å; Y139-H181 VanDerWaalsContact CE1-ND1 3.31Å; Y139-H181 WeakPolarHBondContact CE1-ND1 3.36Å; Y139-H181 AromaticContact CE1-NE2 3.87Å; Y139-H181 AromaticContact CZ-CE1 3.64Å; Y139-L184 HydrophobicContact CE1-CD1 4.13Å; Y139-C192 HydrophobicContact CD1-CB 3.86Å; Y139-C192 HydrophobicContact CD2-CB 4.32Å; Y139-C192 HydrophobicContact CE1-CB 3.63Å; Y139-C192 HydrophobicContact CE2-CB 4.1Å; Y139-C192 HydrophobicContact CG-CB 4.22Å |
| 140 | A | 95.6 | Very high | 86.4 | Confident | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.008 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.6 | -38.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | F114 L136 A137 S143 E144 F193 | F114-A140 HydrophobicContact CE2-CB 3.79Å; F114-A140 HydrophobicContact CZ-CB 3.87Å; L136-A140 PolarHBondContact O-N 2.87Å; A137-A140 WeakPolarHBondContact O-CB 3.48Å; A137-A140 PolarHBondContact O-N 2.8Å; A137-A140 VanDerWaalsContact O-N 3.14Å; A140-S143 WeakPolarHBondContact O-CB 3.27Å; A140-S143 PolarHBondContact O-N 3.01Å; A140-E144 WeakPolarHBondContact O-CB 3.31Å; A140-E144 VanDerWaalsContact O-CG 3.31Å; A140-E144 WeakPolarHBondContact O-CG 3.32Å; A140-E144 PolarHBondContact O-N 2.8Å; A140-F193 HydrophobicContact CB-CD2 4.4Å; A140-F193 HydrophobicContact CB-CE2 4.23Å |
| 141 | V | 95.8 | Very high | 86.4 | Confident | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.012 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.7 | -46.3 | 175.1 | 174.8 | 0 | 0 | 0 | 0 | 111.7 | A137 S138 Y139 S143 E144 M145 Y156 L157 F162 V174 H178 | A137-V141 WeakPolarHBondContact O-CG2 3.08Å; A137-V141 PolarHBondContact O-N 3.31Å; S138-V141 PolarHBondContact O-N 3.09Å; Y139-V141 VanDerWaalsContact C-N 3.32Å; V141-S143 VanDerWaalsContact C-N 3.27Å; V141-S143 PolarHBondContact O-N 2.82Å; V141-E144 PolarHBondContact O-N 3.24Å; V141-M145 HydrophobicContact CG1-CB 4.45Å; V141-M145 HydrophobicContact CG1-CG 4.3Å; V141-M145 HydrophobicContact CG1-SD 4.07Å; V141-M145 WeakPolarHBondContact O-CA 3.46Å; V141-M145 VanDerWaalsContact O-CB 3.28Å; V141-M145 WeakPolarHBondContact O-CB 3.24Å; V141-M145 PolarHBondContact O-N 3.41Å; V141-Y156 HydrophobicContact CG1-CE2 4.35Å; V141-L157 HydrophobicContact CG1-CD1 4.3Å; V141-L157 HydrophobicContact CG1-CD2 3.98Å; V141-L157 HydrophobicContact CG2-CD1 3.72Å; V141-L157 HydrophobicContact CG2-CD2 3.79Å; V141-L157 HydrophobicContact CG2-CG 4.45Å; V141-F162 HydrophobicContact CG2-CE1 3.78Å; V141-F162 HydrophobicContact CG2-CZ 3.49Å; V141-F162 VanDerWaalsContact CG2-CZ 3.49Å; V141-V174 HydrophobicContact CG2-CG1 3.88Å; V141-H178 HydrophobicContact CG1-CB 4.39Å |
| 142 | Q | 93.3 | Very high | 86.6 | Confident | 4 Ų | 4 | 38.2 Ų | 38.2 | 2% | 0.019 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.6 | -41.6 | 173.2 | 179.8 | 70.8 | 26.4 | 0 | 0 | 111.2 | S138 Y139 G146 D147 H178 H181 L184 A189 | S138-Q142 PolarHBondContact O-N 3.27Å; S138-Q142 VanDerWaalsContact O-N 3.1Å; Y139-Q142 PolarHBondContact O-N 3.07Å; Q142-G146 WeakPolarHBondContact O-CA 3.37Å; Q142-G146 PolarHBondContact O-N 3.14Å; Q142-G146 VanDerWaalsContact O-N 3.07Å; Q142-D147 PolarHBondContact NE2-OD1 3.04Å; Q142-H178 PolarHBondContact OE1-NE2 3.35Å; Q142-H181 HydrophobicContact CB-CB 3.95Å; Q142-H181 HydrophobicContact CG-CB 3.79Å; Q142-H181 PolarHBondContact NE2-O 2.66Å; Q142-L184 HydrophobicContact CG-CB 4.17Å; Q142-L184 PolarHBondContact NE2-O 2.91Å; Q142-A189 HydrophobicContact CB-CB 4.16Å; Q142-A189 HydrophobicContact CG-CB 3.89Å |
| 143 | S | 95.6 | Very high | 87 | Confident | 8 Ų | 8 | 44 Ų | 44 | 6% | 0.056 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.7 | -40.4 | 178.3 | -179.6 | 0 | 0 | 0 | 0 | 113.5 | Y139 A140 V141 Q186 E190 | Y139-S143 VanDerWaalsContact O-CB 3.26Å; Y139-S143 WeakPolarHBondContact O-CB 3.41Å; Y139-S143 PolarHBondContact O-N 3.11Å; A140-S143 WeakPolarHBondContact O-CB 3.27Å; A140-S143 PolarHBondContact O-N 3.01Å; V141-S143 VanDerWaalsContact C-N 3.27Å; V141-S143 PolarHBondContact O-N 2.82Å; S143-Q186 WeakPolarHBondContact O-CG 3.3Å; S143-E190 VanDerWaalsContact OG-CG 3.22Å; S143-E190 WeakPolarHBondContact OG-CG 3.47Å; S143-E190 PolarHBondContact OG-OE1 2.8Å |
| 144 | E | 93.6 | Very high | 86.7 | Confident | 94 Ų | 94 | 49.1 Ų | 49.1 | 44% | 0.439 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -97.1 | -21.8 | -171.6 | -68 | 175.1 | -120.8 | 0 | 0 | 113.4 | F114 R118 A140 V141 | F114-E144 HydrophobicContact CZ-CG 4.45Å; R118-E144 VanDerWaalsContact CD-OE1 3.22Å; R118-E144 WeakPolarHBondContact CD-OE1 3.33Å; R118-E144 IonicContact CZ-OE1 2.88Å; R118-E144 IonicContact CZ-OE2 2.6Å; R118-E144 IonicContact NE-OE1 2.72Å; R118-E144 PolarHBondContact NE-OE1 3.33Å; R118-E144 IonicContact NH1-OE1 3.6Å; R118-E144 PolarHBondContact NH1-OE1 2.91Å; R118-E144 IonicContact NH1-OE2 2.66Å; R118-E144 PolarHBondContact NH1-OE2 3Å; R118-E144 IonicContact NH2-OE2 2.68Å; A140-E144 WeakPolarHBondContact O-CB 3.31Å; A140-E144 VanDerWaalsContact O-CG 3.31Å; A140-E144 WeakPolarHBondContact O-CG 3.32Å; A140-E144 PolarHBondContact O-N 2.8Å; V141-E144 PolarHBondContact O-N 3.24Å |
| 145 | M | 93.3 | Very high | 86.6 | Confident | 65 Ų | 65 | 49.9 Ų | 49.9 | 32% | 0.32 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -122.3 | -9 | -173.5 | -54 | -162.9 | -180 | 0 | 0 | 115 | V141 R152 Y156 L157 C160 | V141-M145 HydrophobicContact CG1-CB 4.45Å; V141-M145 HydrophobicContact CG1-CG 4.3Å; V141-M145 HydrophobicContact CG1-SD 4.07Å; V141-M145 WeakPolarHBondContact O-CA 3.46Å; V141-M145 VanDerWaalsContact O-CB 3.28Å; V141-M145 WeakPolarHBondContact O-CB 3.24Å; V141-M145 PolarHBondContact O-N 3.41Å; M145-R152 PolarHBondContact O-NH2 2.88Å; M145-R152 PolarHBondContact SD-NH1 2.95Å; M145-Y156 HydrophobicContact SD-CD2 4.2Å; M145-Y156 HydrophobicContact SD-CE2 3.95Å; M145-L157 HydrophobicContact CE-CD2 3.56Å; M145-L157 HydrophobicContact SD-CD2 3.86Å; M145-C160 WeakPolarHBondContact CE-SG 3.45Å |
| 146 | G | 92.3 | Very high | 87.2 | Confident | 32 Ų | 32 | 50 Ų | 50 | 33% | 0.33 | 29% | 0.285 | S | S | . | . | trans | 62 | 178.7 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q142 H148 H178 | Q142-G146 WeakPolarHBondContact O-CA 3.37Å; Q142-G146 PolarHBondContact O-N 3.14Å; Q142-G146 VanDerWaalsContact O-N 3.07Å; G146-H148 PolarHBondContact O-N 3.21Å; G146-H178 PolarHBondContact O-CE1 2.91Å; G146-H178 PolarHBondContact O-NE2 2.94Å; G146-H178 VanDerWaalsContact O-NE2 3.09Å | ||
| 147 | D | 90.8 | Very high | 87.6 | Confident | 63 Ų | 63 | 50 Ų | 50 | 34% | 0.337 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -37.1 | 133.7 | -177.1 | -81.8 | 11 | 0 | 0 | 0 | 114.8 | Q142 C149 K182 G183 | Q142-D147 PolarHBondContact NE2-OD1 3.04Å; D147-C149 PolarHBondContact O-N 3.45Å; D147-K182 HydrophobicContact CB-CG 4.41Å; D147-K182 WeakPolarHBondContact OD1-CA 3.37Å; D147-K182 WeakPolarHBondContact OD2-CG 3.26Å; D147-G183 PolarHBondContact OD1-N 2.99Å; D147-G183 PolarHBondContact OD2-N 3.14Å |
| 148 | H | 88.6 | Confident | 87.2 | Confident | 49 Ų | 49 | 52.8 Ų | 52.8 | 23% | 0.227 | 30% | 0.304 | C | S | . | . | trans | -57.1 | 111.8 | 171.8 | -177.6 | -80.4 | 0 | 0 | 0 | 111.8 | G146 Y156 H178 P179 | G146-H148 PolarHBondContact O-N 3.21Å; H148-Y156 AromaticContact CD2-CE1 3.96Å; H148-H178 AromaticContact CD2-ND1 3.85Å; H148-H178 PolarHBondContact N-CE1 2.82Å; H148-P179 HydrophobicContact CB-CB 4.31Å; H148-P179 HydrophobicContact CB-CG 4Å | ||
| 149 | C | 84.3 | Confident | 87 | Confident | 58 Ų | 58 | 62.2 Ų | 62.2 | 39% | 0.392 | 35% | 0.345 | S | S | . | . | trans | -87 | 127.7 | 173.8 | -171 | 0 | 0 | 0 | 0 | 110.9 | D147 S151 R152 | D147-C149 PolarHBondContact O-N 3.45Å; C149-S151 PolarHBondContact O-N 2.84Å; C149-S151 PolarHBondContact SG-OG 3.16Å; C149-R152 HydrophobicContact CB-CG 4.47Å; C149-R152 PolarHBondContact O-N 2.91Å | ||
| 150 | P | 76.1 | Confident | 87.1 | Confident | 123 Ų | 123 | 61.7 Ų | 61.7 | 80% | 0.799 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -5.6 | 178.4 | -26.1 | 35.6 | 0 | 0 | 0 | 116.8 | ||
| 151 | S | 78.1 | Confident | 86.8 | Confident | 92 Ų | 92 | 66 Ų | 66 | 64% | 0.643 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -8.8 | 172.1 | 62.8 | 0 | 0 | 0 | 0 | 114.1 | C149 | C149-S151 PolarHBondContact O-N 2.84Å; C149-S151 PolarHBondContact SG-OG 3.16Å |
| 152 | R | 81.4 | Confident | 86.6 | Confident | 73 Ų | 73 | 67 Ų | 67 | 28% | 0.275 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -71.7 | 130.5 | 171.3 | -62.2 | -171.2 | -170.8 | -164.7 | 10.4 | 109.1 | M145 C149 Y156 | M145-R152 PolarHBondContact O-NH2 2.88Å; M145-R152 PolarHBondContact SD-NH1 2.95Å; C149-R152 HydrophobicContact CB-CG 4.47Å; C149-R152 PolarHBondContact O-N 2.91Å; R152-Y156 HydrophobicContact CB-CD1 4.02Å; R152-Y156 HydrophobicContact CB-CG 4.29Å |
| 153 | Q | 77.6 | Confident | 86.6 | Confident | 144 Ų | 144 | 67.4 Ų | 67.4 | 67% | 0.673 | 37% | 0.374 | S | S | * | . | P | Polyproline II helix | trans | -79.1 | 150.8 | 172.6 | -63.2 | -61 | -41.2 | 0 | 0 | 110 | Y156 | Q153-Y156 WeakPolarHBondContact O-CD1 3.48Å; Q153-Y156 PolarHBondContact O-N 3.05Å |
| 154 | P | 76.9 | Confident | 86.2 | Confident | 111 Ų | 111 | 70.3 Ų | 70.3 | 72% | 0.721 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | 147.1 | 170.2 | -25.1 | 34.9 | 0 | 0 | 0 | 112.3 | E175 | P154-E175 WeakPolarHBondContact CA-OE2 3.44Š|
| 155 | G | 81.2 | Confident | 85.8 | Confident | 30 Ų | 30 | 74.4 Ų | 74.4 | 31% | 0.309 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | 16.9 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | L157 S158 E175 | G155-L157 PolarHBondContact O-N 2.37Å; G155-S158 WeakPolarHBondContact O-CB 3.37Å; G155-S158 PolarHBondContact O-N 3.22Å; G155-S158 VanDerWaalsContact O-N 3.12Å; G155-S158 PolarHBondContact O-OG 3.38Å; G155-E175 VanDerWaalsContact C-OE1 3.26Å; G155-E175 VanDerWaalsContact CA-OE1 3.28Å; G155-E175 WeakPolarHBondContact CA-OE1 3.42Å; G155-E175 PolarHBondContact N-OE1 2.89Å; G155-E175 VanDerWaalsContact N-OE1 3.17Å; G155-E175 PolarHBondContact N-OE2 3.16Å |
| 156 | Y | 87.9 | Confident | 85.6 | Confident | 50 Ų | 50 | 74 Ų | 74 | 20% | 0.196 | 41% | 0.409 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -19.4 | 172.5 | 74.3 | -90.9 | 0 | 0 | 0 | 112.5 | V141 M145 H148 R152 Q153 E175 H178 | V141-Y156 HydrophobicContact CG1-CE2 4.35Å; M145-Y156 HydrophobicContact SD-CD2 4.2Å; M145-Y156 HydrophobicContact SD-CE2 3.95Å; H148-Y156 AromaticContact CD2-CE1 3.96Å; R152-Y156 HydrophobicContact CB-CD1 4.02Å; R152-Y156 HydrophobicContact CB-CG 4.29Å; Q153-Y156 WeakPolarHBondContact O-CD1 3.48Å; Q153-Y156 PolarHBondContact O-N 3.05Å; Y156-E175 HydrophobicContact CD1-CG 4.23Å; Y156-E175 WeakPolarHBondContact CD1-OE1 3.36Å; Y156-E175 HydrophobicContact CE1-CB 4.19Å; Y156-E175 HydrophobicContact CE1-CG 3.68Å; Y156-E175 PolarHBondContact N-OE1 3.38Å; Y156-H178 AromaticContact CZ-ND1 3.89Å; Y156-H178 PolarHBondContact OH-ND1 3.03Å |
| 157 | L | 90.2 | Very high | 85.4 | Confident | 0 Ų | 0 | 76.9 Ų | 76.9 | 0% | 0 | 42% | 0.417 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 1 | 172.3 | -63.9 | -174.3 | 0 | 0 | 0 | 114.5 | V141 M145 G155 K159 C160 F162 V171 V174 E175 | V141-L157 HydrophobicContact CG1-CD1 4.3Å; V141-L157 HydrophobicContact CG1-CD2 3.98Å; V141-L157 HydrophobicContact CG2-CD1 3.72Å; V141-L157 HydrophobicContact CG2-CD2 3.79Å; V141-L157 HydrophobicContact CG2-CG 4.45Å; M145-L157 HydrophobicContact CE-CD2 3.56Å; M145-L157 HydrophobicContact SD-CD2 3.86Å; G155-L157 PolarHBondContact O-N 2.37Å; L157-K159 PolarHBondContact O-N 3.38Å; L157-C160 HydrophobicContact CB-CB 4.49Å; L157-C160 HydrophobicContact CD2-CB 4.49Å; L157-C160 WeakPolarHBondContact O-CB 3.2Å; L157-C160 PolarHBondContact O-N 3.41Å; L157-F162 HydrophobicContact CB-CE2 4.5Å; L157-F162 HydrophobicContact CD1-CE2 4.33Å; L157-F162 HydrophobicContact CD1-CZ 4.26Å; L157-F162 HydrophobicContact CD2-CZ 4.36Å; L157-V171 HydrophobicContact CB-CG1 3.65Å; L157-V174 HydrophobicContact CD1-CB 4.09Å; L157-V174 HydrophobicContact CD1-CG1 3.52Å; L157-E175 HydrophobicContact CB-CG 4.12Å; L157-E175 WeakPolarHBondContact CB-OE1 3.47Å; L157-E175 HydrophobicContact CD1-CG 3.58Å; L157-E175 HydrophobicContact CG-CG 3.77Å; L157-E175 PolarHBondContact N-OE1 3.06Å |
| 158 | S | 84.3 | Confident | 85.2 | Confident | 65 Ų | 65 | 80.4 Ų | 80.4 | 46% | 0.455 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -18.7 | 179.8 | 55.4 | 0 | 0 | 0 | 0 | 115.3 | G155 | G155-S158 WeakPolarHBondContact O-CB 3.37Å; G155-S158 PolarHBondContact O-N 3.22Å; G155-S158 VanDerWaalsContact O-N 3.12Å; G155-S158 PolarHBondContact O-OG 3.38Å |
| 159 | K | 84 | Confident | 85.3 | Confident | 199 Ų | 199 | 81.9 Ų | 81.9 | 87% | 0.865 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | -3.6 | 176.2 | -62.7 | -178.3 | -177.7 | 176.6 | 0 | 113.9 | L157 | L157-K159 PolarHBondContact O-N 3.38Š|
| 160 | C | 88.4 | Confident | 85.6 | Confident | 33 Ų | 33 | 79.4 Ų | 79.4 | 22% | 0.223 | 42% | 0.423 | C | S | . | . | trans | -83.8 | 152.1 | 173.9 | -64.5 | 0 | 0 | 0 | 0 | 110 | M145 L157 F162 Q166 | M145-C160 WeakPolarHBondContact CE-SG 3.45Å; L157-C160 HydrophobicContact CB-CB 4.49Å; L157-C160 HydrophobicContact CD2-CB 4.49Å; L157-C160 WeakPolarHBondContact O-CB 3.2Å; L157-C160 PolarHBondContact O-N 3.41Å; C160-F162 HydrophobicContact CB-CD2 4.26Å; C160-F162 HydrophobicContact CB-CE1 4.26Å; C160-F162 HydrophobicContact CB-CE2 3.43Å; C160-F162 VanDerWaalsContact CB-CE2 3.43Å; C160-F162 HydrophobicContact CB-CZ 3.43Å; C160-F162 VanDerWaalsContact CB-CZ 3.43Å; C160-Q166 PolarHBondContact O-NE2 2.91Å | ||
| 161 | H | 89.7 | Confident | 86.3 | Confident | 92 Ų | 92 | 73.8 Ų | 73.8 | 43% | 0.426 | 39% | 0.387 | S | S | . | . | trans | -134.9 | 111.8 | 179.6 | -170.2 | 61.1 | 0 | 0 | 0 | 110 | R122 I163 P164 Q166 | R122-H161 WeakPolarHBondContact CD-O 3.29Å; R122-H161 WeakPolarHBondContact CG-O 3.5Å; H161-I163 PolarHBondContact CE1-O 3.46Å; H161-I163 PolarHBondContact ND1-O 2.84Å; H161-I163 PolarHBondContact NE2-O 2.76Å; H161-P164 PolarHBondContact CE1-O 3.38Å; H161-Q166 PolarHBondContact ND1-NE2 3.39Å | ||
| 162 | F | 92.2 | Very high | 86.8 | Confident | 21 Ų | 21 | 72.2 Ų | 72.2 | 9% | 0.092 | 38% | 0.375 | C | S | . | . | trans | -111 | -30.9 | -167.9 | -58.9 | -77 | 0 | 0 | 0 | 114 | R122 A137 V141 L157 C160 F170 V174 | R122-F162 VanDerWaalsContact CA-O 3.24Å; R122-F162 WeakPolarHBondContact CA-O 3.44Å; R122-F162 PolarHBondContact N-O 2.99Å; A137-F162 HydrophobicContact CB-CB 3.99Å; A137-F162 HydrophobicContact CB-CD1 3.62Å; A137-F162 HydrophobicContact CB-CD2 4.3Å; A137-F162 HydrophobicContact CB-CE1 4.12Å; A137-F162 HydrophobicContact CB-CG 3.72Å; V141-F162 HydrophobicContact CG2-CE1 3.78Å; V141-F162 HydrophobicContact CG2-CZ 3.49Å; V141-F162 VanDerWaalsContact CG2-CZ 3.49Å; L157-F162 HydrophobicContact CB-CE2 4.5Å; L157-F162 HydrophobicContact CD1-CE2 4.33Å; L157-F162 HydrophobicContact CD1-CZ 4.26Å; L157-F162 HydrophobicContact CD2-CZ 4.36Å; C160-F162 HydrophobicContact CB-CD2 4.26Å; C160-F162 HydrophobicContact CB-CE1 4.26Å; C160-F162 HydrophobicContact CB-CE2 3.43Å; C160-F162 VanDerWaalsContact CB-CE2 3.43Å; C160-F162 HydrophobicContact CB-CZ 3.43Å; C160-F162 VanDerWaalsContact CB-CZ 3.43Å; F162-F170 HydrophobicContact CB-CE1 3.71Å; F162-F170 HydrophobicContact CB-CZ 4.11Å; F162-F170 AromaticContact CD2-CE1 3.92Å; F162-F170 HydrophobicContact CD2-CE1 3.92Å; F162-F170 HydrophobicContact CG-CE1 4.12Å; F162-V174 HydrophobicContact CE2-CG1 4.47Å; F162-V174 HydrophobicContact CZ-CG1 4.43Å | ||
| 163 | I | 92 | Very high | 87.1 | Confident | 13 Ų | 13 | 72.1 Ų | 72.1 | 7% | 0.067 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -138.9 | 154 | 177.2 | 57.4 | 173.7 | 0 | 0 | 0 | 109.1 | I121 L130 A133 H161 E165 Q166 F170 | I121-I163 HydrophobicContact CG2-CG2 3.84Å; L130-I163 HydrophobicContact CD2-CD1 3.53Å; A133-I163 HydrophobicContact CB-CG2 3.92Å; H161-I163 PolarHBondContact CE1-O 3.46Å; H161-I163 PolarHBondContact ND1-O 2.84Å; H161-I163 PolarHBondContact NE2-O 2.76Å; I163-E165 VanDerWaalsContact C-N 3.34Å; I163-E165 VanDerWaalsContact CD1-O 3.27Å; I163-E165 WeakPolarHBondContact CD1-O 3.22Å; I163-E165 PolarHBondContact O-N 3.39Å; I163-Q166 HydrophobicContact CD1-CB 4.27Å; I163-Q166 HydrophobicContact CG1-CB 3.63Å; I163-F170 HydrophobicContact CD1-CD2 3.59Å; I163-F170 HydrophobicContact CD1-CE2 3.66Å; I163-F170 HydrophobicContact CD1-CG 4.06Å; I163-F170 HydrophobicContact CD1-CZ 4.2Å; I163-F170 HydrophobicContact CG1-CD2 4.42Å; I163-F170 HydrophobicContact CG1-CE1 4.48Å; I163-F170 HydrophobicContact CG1-CE2 4.27Å; I163-F170 HydrophobicContact CG1-CZ 4.31Å; I163-F170 HydrophobicContact CG2-CE2 4.38Å; I163-F170 HydrophobicContact CG2-CZ 4.25Å |
| 164 | P | 87.6 | Confident | 87.6 | Confident | 69 Ų | 69 | 65.3 Ų | 65.3 | 45% | 0.448 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -59.7 | -41.9 | -173.1 | -21.9 | 30.2 | 0 | 0 | 0 | 113.6 | R122 H161 | R122-P164 WeakPolarHBondContact O-CD 3.3Å; R122-P164 WeakPolarHBondContact O-CG 3.43Å; H161-P164 PolarHBondContact CE1-O 3.38Å |
| 165 | E | 86.1 | Confident | 88.3 | Confident | 180 Ų | 180 | 61 Ų | 61 | 84% | 0.841 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -112.7 | 86.8 | 176.8 | -68.9 | 172.8 | -167 | 0 | 0 | 107.1 | I163 | I163-E165 VanDerWaalsContact C-N 3.34Å; I163-E165 VanDerWaalsContact CD1-O 3.27Å; I163-E165 WeakPolarHBondContact CD1-O 3.22Å; I163-E165 PolarHBondContact O-N 3.39Å |
| 166 | Q | 87.9 | Confident | 88.6 | Confident | 57 Ų | 57 | 62.7 Ų | 62.7 | 27% | 0.266 | 32% | 0.317 | S | S | . | . | trans | -104.4 | 145.3 | 174.1 | 76.3 | -175.4 | 14.4 | 0 | 0 | 110.3 | C160 H161 I163 F170 | C160-Q166 PolarHBondContact O-NE2 2.91Å; H161-Q166 PolarHBondContact ND1-NE2 3.39Å; I163-Q166 HydrophobicContact CD1-CB 4.27Å; I163-Q166 HydrophobicContact CG1-CB 3.63Å; Q166-F170 HydrophobicContact CB-CD1 4.44Å | ||
| 167 | D | 87.6 | Confident | 88.3 | Confident | 92 Ų | 92 | 61.8 Ų | 61.8 | 49% | 0.492 | 32% | 0.316 | S | S | . | . | trans | -117 | 170.9 | 171.5 | 57.1 | 14.5 | 0 | 0 | 0 | 111.1 | D169 F170 V171 | D167-D169 PolarHBondContact O-N 2.97Å; D167-F170 WeakPolarHBondContact O-CB 3.37Å; D167-F170 PolarHBondContact O-N 3.31Å; D167-F170 WeakPolarHBondContact OD1-CB 2.69Å; D167-F170 PolarHBondContact OD1-N 2.88Å; D167-V171 WeakPolarHBondContact O-CG2 3.43Å; D167-V171 PolarHBondContact O-N 3.2Å; D167-V171 VanDerWaalsContact O-N 3.15Å | ||
| 168 | E | 87.8 | Confident | 88.2 | Confident | 138 Ų | 138 | 61.8 Ų | 61.8 | 65% | 0.645 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -65.2 | -25.1 | 179 | -60.2 | -61.7 | 148.8 | 0 | 0 | 112.3 | V171 S172 | E168-V171 PolarHBondContact O-N 3.07Å; E168-S172 VanDerWaalsContact O-CB 3.3Å; E168-S172 WeakPolarHBondContact O-CB 3.48Å; E168-S172 PolarHBondContact O-N 3.08Å |
| 169 | D | 89.3 | Confident | 88.3 | Confident | 80 Ų | 80 | 61.5 Ų | 61.5 | 43% | 0.428 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -69.6 | -42.4 | 175.3 | 171.1 | 62.7 | 0 | 0 | 0 | 111.6 | D167 K173 | D167-D169 PolarHBondContact O-N 2.97Å; D169-K173 WeakPolarHBondContact O-CB 3.34Å; D169-K173 WeakPolarHBondContact O-CD 3.36Å; D169-K173 VanDerWaalsContact O-CG 3.24Å; D169-K173 WeakPolarHBondContact O-CG 3.12Å; D169-K173 PolarHBondContact O-N 3.27Å; D169-K173 WeakPolarHBondContact OD1-CE 3.48Å; D169-K173 IonicContact OD1-NZ 2.69Å; D169-K173 PolarHBondContact OD1-NZ 2.87Å; D169-K173 IonicContact OD2-NZ 3.96Å; D169-K173 PolarHBondContact OD2-NZ 3.48Å |
| 170 | F | 90.4 | Very high | 88.4 | Confident | 6 Ų | 6 | 56.8 Ų | 56.8 | 3% | 0.026 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.1 | -49.2 | 168.6 | -179.3 | -81.7 | 0 | 0 | 0 | 110.9 | L130 A133 V134 A137 F162 I163 Q166 D167 K173 V174 | L130-F170 HydrophobicContact CD2-CD2 4.43Å; A133-F170 HydrophobicContact CB-CE2 3.8Å; A133-F170 HydrophobicContact CB-CZ 4.21Å; V134-F170 HydrophobicContact CB-CE2 4.29Å; V134-F170 HydrophobicContact CG2-CD2 3.46Å; V134-F170 VanDerWaalsContact CG2-CD2 3.46Å; V134-F170 HydrophobicContact CG2-CE2 3.46Å; V134-F170 VanDerWaalsContact CG2-CE2 3.46Å; V134-F170 HydrophobicContact CG2-CG 4.17Å; V134-F170 HydrophobicContact CG2-CZ 4.15Å; A137-F170 HydrophobicContact CB-CE1 4.08Å; A137-F170 HydrophobicContact CB-CZ 3.95Å; F162-F170 HydrophobicContact CB-CE1 3.71Å; F162-F170 HydrophobicContact CB-CZ 4.11Å; F162-F170 AromaticContact CD2-CE1 3.92Å; F162-F170 HydrophobicContact CD2-CE1 3.92Å; F162-F170 HydrophobicContact CG-CE1 4.12Å; I163-F170 HydrophobicContact CD1-CD2 3.59Å; I163-F170 HydrophobicContact CD1-CE2 3.66Å; I163-F170 HydrophobicContact CD1-CG 4.06Å; I163-F170 HydrophobicContact CD1-CZ 4.2Å; I163-F170 HydrophobicContact CG1-CD2 4.42Å; I163-F170 HydrophobicContact CG1-CE1 4.48Å; I163-F170 HydrophobicContact CG1-CE2 4.27Å; I163-F170 HydrophobicContact CG1-CZ 4.31Å; I163-F170 HydrophobicContact CG2-CE2 4.38Å; I163-F170 HydrophobicContact CG2-CZ 4.25Å; Q166-F170 HydrophobicContact CB-CD1 4.44Å; D167-F170 WeakPolarHBondContact O-CB 3.37Å; D167-F170 PolarHBondContact O-N 3.31Å; D167-F170 WeakPolarHBondContact OD1-CB 2.69Å; D167-F170 PolarHBondContact OD1-N 2.88Å; F170-K173 PolarHBondContact O-N 3.46Å; F170-V174 HydrophobicContact CD1-CG2 4.07Å; F170-V174 HydrophobicContact CE1-CG2 3.64Å; F170-V174 HydrophobicContact CZ-CG2 4.08Å; F170-V174 WeakPolarHBondContact O-CG2 3.3Å; F170-V174 PolarHBondContact O-N 3.42Å; F170-V174 VanDerWaalsContact O-N 3.07Å |
| 171 | V | 91.8 | Very high | 88 | Confident | 5 Ų | 5 | 56.1 Ų | 56.1 | 3% | 0.03 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62 | -46.9 | -178.7 | 178.1 | 0 | 0 | 0 | 0 | 110.9 | L157 D167 E168 K173 V174 E175 | L157-V171 HydrophobicContact CB-CG1 3.65Å; D167-V171 WeakPolarHBondContact O-CG2 3.43Å; D167-V171 PolarHBondContact O-N 3.2Å; D167-V171 VanDerWaalsContact O-N 3.15Å; E168-V171 PolarHBondContact O-N 3.07Å; V171-K173 VanDerWaalsContact C-N 3.33Å; V171-K173 PolarHBondContact O-N 2.78Å; V171-V174 WeakPolarHBondContact O-CB 3.42Å; V171-V174 PolarHBondContact O-N 2.79Å; V171-V174 VanDerWaalsContact O-N 3.1Å; V171-E175 PolarHBondContact O-N 3.3Å |
| 172 | S | 88.9 | Confident | 87.9 | Confident | 58 Ų | 58 | 59.1 Ų | 59.1 | 41% | 0.406 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -57.3 | -43.6 | 175.4 | -171.2 | 0 | 0 | 0 | 0 | 112 | E168 V174 E175 D176 | E168-S172 VanDerWaalsContact O-CB 3.3Å; E168-S172 WeakPolarHBondContact O-CB 3.48Å; E168-S172 PolarHBondContact O-N 3.08Å; S172-V174 VanDerWaalsContact C-N 3.27Å; S172-V174 PolarHBondContact O-N 3.08Å; S172-E175 PolarHBondContact O-N 3.48Å; S172-E175 VanDerWaalsContact O-N 3.17Å; S172-D176 PolarHBondContact O-N 2.87Å |
| 173 | K | 87.1 | Confident | 87.5 | Confident | 72 Ų | 72 | 60.8 Ų | 60.8 | 31% | 0.313 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -66.9 | -27.1 | 178.1 | -73.9 | 165.8 | 179.5 | 162.4 | 0 | 113.3 | V134 D169 F170 V171 L177 | V134-K173 HydrophobicContact CG1-CB 3.83Å; V134-K173 HydrophobicContact CG2-CB 4.15Å; D169-K173 WeakPolarHBondContact O-CB 3.34Å; D169-K173 WeakPolarHBondContact O-CD 3.36Å; D169-K173 VanDerWaalsContact O-CG 3.24Å; D169-K173 WeakPolarHBondContact O-CG 3.12Å; D169-K173 PolarHBondContact O-N 3.27Å; D169-K173 WeakPolarHBondContact OD1-CE 3.48Å; D169-K173 IonicContact OD1-NZ 2.69Å; D169-K173 PolarHBondContact OD1-NZ 2.87Å; D169-K173 IonicContact OD2-NZ 3.96Å; D169-K173 PolarHBondContact OD2-NZ 3.48Å; F170-K173 PolarHBondContact O-N 3.46Å; V171-K173 VanDerWaalsContact C-N 3.33Å; V171-K173 PolarHBondContact O-N 2.78Å; K173-L177 WeakPolarHBondContact O-CG 3.47Å; K173-L177 PolarHBondContact O-N 2.94Å |
| 174 | V | 88 | Confident | 87 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -74.2 | -38.9 | 172.3 | 176.3 | 0 | 0 | 0 | 0 | 110.7 | V134 A137 V141 L157 F162 F170 V171 S172 L177 H178 | V134-V174 HydrophobicContact CB-CG2 4.39Å; V134-V174 HydrophobicContact CG1-CG2 4.17Å; V134-V174 HydrophobicContact CG2-CG2 4.42Å; A137-V174 HydrophobicContact CB-CB 4.47Å; A137-V174 HydrophobicContact CB-CG1 3.95Å; A137-V174 HydrophobicContact CB-CG2 3.56Å; V141-V174 HydrophobicContact CG2-CG1 3.88Å; L157-V174 HydrophobicContact CD1-CB 4.09Å; L157-V174 HydrophobicContact CD1-CG1 3.52Å; F162-V174 HydrophobicContact CE2-CG1 4.47Å; F162-V174 HydrophobicContact CZ-CG1 4.43Å; F170-V174 HydrophobicContact CD1-CG2 4.07Å; F170-V174 HydrophobicContact CE1-CG2 3.64Å; F170-V174 HydrophobicContact CZ-CG2 4.08Å; F170-V174 WeakPolarHBondContact O-CG2 3.3Å; F170-V174 PolarHBondContact O-N 3.42Å; F170-V174 VanDerWaalsContact O-N 3.07Å; V171-V174 WeakPolarHBondContact O-CB 3.42Å; V171-V174 PolarHBondContact O-N 2.79Å; V171-V174 VanDerWaalsContact O-N 3.1Å; S172-V174 VanDerWaalsContact C-N 3.27Å; S172-V174 PolarHBondContact O-N 3.08Å; V174-L177 PolarHBondContact O-N 3.43Å; V174-H178 PolarHBondContact O-N 3.17Å; V174-H178 VanDerWaalsContact O-N 3.16Å |
| 175 | E | 91.9 | Very high | 87.2 | Confident | 21 Ų | 21 | 65.7 Ų | 65.7 | 10% | 0.098 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.8 | -41.9 | 172.1 | -64.2 | -169.6 | 174.1 | 0 | 0 | 111.7 | P154 G155 Y156 L157 V171 S172 L177 H178 P179 | P154-E175 WeakPolarHBondContact CA-OE2 3.44Å; G155-E175 VanDerWaalsContact C-OE1 3.26Å; G155-E175 VanDerWaalsContact CA-OE1 3.28Å; G155-E175 WeakPolarHBondContact CA-OE1 3.42Å; G155-E175 PolarHBondContact N-OE1 2.89Å; G155-E175 VanDerWaalsContact N-OE1 3.17Å; G155-E175 PolarHBondContact N-OE2 3.16Å; Y156-E175 HydrophobicContact CD1-CG 4.23Å; Y156-E175 WeakPolarHBondContact CD1-OE1 3.36Å; Y156-E175 HydrophobicContact CE1-CB 4.19Å; Y156-E175 HydrophobicContact CE1-CG 3.68Å; Y156-E175 PolarHBondContact N-OE1 3.38Å; L157-E175 HydrophobicContact CB-CG 4.12Å; L157-E175 WeakPolarHBondContact CB-OE1 3.47Å; L157-E175 HydrophobicContact CD1-CG 3.58Å; L157-E175 HydrophobicContact CG-CG 3.77Å; L157-E175 PolarHBondContact N-OE1 3.06Å; V171-E175 PolarHBondContact O-N 3.3Å; S172-E175 PolarHBondContact O-N 3.48Å; S172-E175 VanDerWaalsContact O-N 3.17Å; E175-L177 VanDerWaalsContact C-N 3.31Å; E175-L177 PolarHBondContact O-N 3.07Å; E175-H178 PolarHBondContact O-N 3.09Å; E175-P179 WeakPolarHBondContact O-CD 3.46Å |
| 176 | D | 87.2 | Confident | 87.6 | Confident | 65 Ų | 65 | 62 Ų | 62 | 35% | 0.348 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.5 | -33.7 | 176.6 | -76.7 | -28.8 | 0 | 0 | 0 | 113.9 | S172 Q180 H543 | S172-D176 PolarHBondContact O-N 2.87Å; D176-Q180 PolarHBondContact O-NE2 3.36Å; D176-Q180 VanDerWaalsContact O-NE2 3.11Å; D176-H543 HydrophobicContact CB-CB 4.47Å |
| 177 | L | 81.8 | Confident | 87.7 | Confident | 31 Ų | 31 | 60.5 Ų | 60.5 | 16% | 0.162 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -83.2 | -28.7 | 178.4 | -71.9 | -168.7 | 0 | 0 | 0 | 113 | V134 V135 K173 V174 E175 Q180 | V134-L177 HydrophobicContact CG1-CD1 3.77Å; V134-L177 HydrophobicContact CG1-CG 4.42Å; V135-L177 HydrophobicContact CG2-CD1 3.89Å; K173-L177 WeakPolarHBondContact O-CG 3.47Å; K173-L177 PolarHBondContact O-N 2.94Å; V174-L177 PolarHBondContact O-N 3.43Å; E175-L177 VanDerWaalsContact C-N 3.31Å; E175-L177 PolarHBondContact O-N 3.07Å; L177-Q180 VanDerWaalsContact O-CB 3.26Å; L177-Q180 WeakPolarHBondContact O-CB 3.39Å; L177-Q180 WeakPolarHBondContact O-CG 3.48Å; L177-Q180 PolarHBondContact O-N 2.91Å |
| 178 | H | 88.8 | Confident | 87.6 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -57.4 | -42.4 | -172.7 | -178.1 | -141.3 | 0 | 0 | 0 | 114.3 | V141 Q142 G146 H148 Y156 V174 E175 Q180 H181 | V141-H178 HydrophobicContact CG1-CB 4.39Å; Q142-H178 PolarHBondContact OE1-NE2 3.35Å; G146-H178 PolarHBondContact O-CE1 2.91Å; G146-H178 PolarHBondContact O-NE2 2.94Å; G146-H178 VanDerWaalsContact O-NE2 3.09Å; H148-H178 AromaticContact CD2-ND1 3.85Å; H148-H178 PolarHBondContact N-CE1 2.82Å; Y156-H178 AromaticContact CZ-ND1 3.89Å; Y156-H178 PolarHBondContact OH-ND1 3.03Å; V174-H178 PolarHBondContact O-N 3.17Å; V174-H178 VanDerWaalsContact O-N 3.16Å; E175-H178 PolarHBondContact O-N 3.09Å; H178-Q180 PolarHBondContact O-N 3.08Å; H178-Q180 VanDerWaalsContact O-N 3.08Å; H178-H181 PolarHBondContact O-N 3.19Å |
| 179 | P | 86.4 | Confident | 87.2 | Confident | 59 Ų | 59 | 52.9 Ų | 52.9 | 38% | 0.383 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -58 | -20.1 | 173.2 | -25.3 | 32.6 | 0 | 0 | 0 | 115.6 | H148 E175 H181 | H148-P179 HydrophobicContact CB-CB 4.31Å; H148-P179 HydrophobicContact CB-CG 4Å; E175-P179 WeakPolarHBondContact O-CD 3.46Å; P179-H181 VanDerWaalsContact C-N 3.3Å |
| 180 | Q | 85.8 | Confident | 87.4 | Confident | 101 Ų | 101 | 49.2 Ų | 49.2 | 47% | 0.472 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -80 | -15.7 | -176.7 | -49.2 | -176.7 | 30.6 | 0 | 0 | 112.1 | D176 L177 H178 H543 | D176-Q180 PolarHBondContact O-NE2 3.36Å; D176-Q180 VanDerWaalsContact O-NE2 3.11Å; L177-Q180 VanDerWaalsContact O-CB 3.26Å; L177-Q180 WeakPolarHBondContact O-CB 3.39Å; L177-Q180 WeakPolarHBondContact O-CG 3.48Å; L177-Q180 PolarHBondContact O-N 2.91Å; H178-Q180 PolarHBondContact O-N 3.08Å; H178-Q180 VanDerWaalsContact O-N 3.08Å; Q180-H543 PolarHBondContact NE2-CE1 3.16Å; Q180-H543 PolarHBondContact NE2-NE2 2.87Å |
| 181 | H | 79.8 | Confident | 87 | Confident | 18 Ų | 18 | 51.3 Ų | 51.3 | 8% | 0.083 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -93.9 | 6.2 | 179.8 | -57.1 | -38.6 | 0 | 0 | 0 | 113.6 | S138 Y139 Q142 H178 P179 G183 L184 | S138-H181 WeakPolarHBondContact CB-NE2 3.42Å; S138-H181 PolarHBondContact O-CD2 3.31Å; S138-H181 PolarHBondContact OG-NE2 3.02Å; Y139-H181 AromaticContact CD1-CE1 3.79Å; Y139-H181 AromaticContact CD1-ND1 3.87Å; Y139-H181 AromaticContact CD1-NE2 3.89Å; Y139-H181 AromaticContact CE1-CE1 3.3Å; Y139-H181 WeakPolarHBondContact CE1-CE1 3.35Å; Y139-H181 AromaticContact CE1-CG 3.93Å; Y139-H181 AromaticContact CE1-ND1 3.31Å; Y139-H181 VanDerWaalsContact CE1-ND1 3.31Å; Y139-H181 WeakPolarHBondContact CE1-ND1 3.36Å; Y139-H181 AromaticContact CE1-NE2 3.87Å; Y139-H181 AromaticContact CZ-CE1 3.64Å; Q142-H181 HydrophobicContact CB-CB 3.95Å; Q142-H181 HydrophobicContact CG-CB 3.79Å; Q142-H181 PolarHBondContact NE2-O 2.66Å; H178-H181 PolarHBondContact O-N 3.19Å; P179-H181 VanDerWaalsContact C-N 3.3Å; H181-G183 PolarHBondContact O-N 3Å; H181-L184 HydrophobicContact CB-CD1 4.13Å; H181-L184 WeakPolarHBondContact O-CB 3.31Å; H181-L184 WeakPolarHBondContact O-CG 3.09Å; H181-L184 PolarHBondContact O-N 3.43Å; H181-L184 VanDerWaalsContact O-N 3.1Å |
| 182 | K | 87.3 | Confident | 86 | Confident | 156 Ų | 156 | 53 Ų | 53 | 68% | 0.678 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | 128.6 | -175 | -170.2 | -171 | 177.1 | -178.5 | 0 | 112.3 | D147 | D147-K182 HydrophobicContact CB-CG 4.41Å; D147-K182 WeakPolarHBondContact OD1-CA 3.37Å; D147-K182 WeakPolarHBondContact OD2-CG 3.26Å |
| 183 | G | 83.9 | Confident | 86.1 | Confident | 56 Ų | 56 | 50.4 Ų | 50.4 | 58% | 0.577 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.3 | -8.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | D147 H181 K185 | D147-G183 PolarHBondContact OD1-N 2.99Å; D147-G183 PolarHBondContact OD2-N 3.14Å; H181-G183 PolarHBondContact O-N 3Å; G183-K185 PolarHBondContact O-N 3.16Å |
| 184 | L | 82.4 | Confident | 85.7 | Confident | 53 Ų | 53 | 47 Ų | 47 | 28% | 0.277 | 25% | 0.248 | S | C | . | . | trans | -71.2 | 125.1 | 169.6 | -65.8 | -178.5 | 0 | 0 | 0 | 110.1 | Y139 Q142 H181 E188 A189 | Y139-L184 HydrophobicContact CE1-CD1 4.13Å; Q142-L184 HydrophobicContact CG-CB 4.17Å; Q142-L184 PolarHBondContact NE2-O 2.91Å; H181-L184 HydrophobicContact CB-CD1 4.13Å; H181-L184 WeakPolarHBondContact O-CB 3.31Å; H181-L184 WeakPolarHBondContact O-CG 3.09Å; H181-L184 PolarHBondContact O-N 3.43Å; H181-L184 VanDerWaalsContact O-N 3.1Å; L184-E188 HydrophobicContact CD2-CB 4.34Å; L184-A189 HydrophobicContact CB-CB 4.39Å | ||
| 185 | K | 91.3 | Very high | 84.7 | Confident | 132 Ų | 132 | 49 Ų | 49 | 57% | 0.574 | 26% | 0.258 | S | S | * | . | trans | -67.3 | 160.9 | 169.7 | -56.8 | -178.8 | -159.6 | 94 | 0 | 110.2 | G183 S187 E188 A189 | G183-K185 PolarHBondContact O-N 3.16Å; K185-S187 PolarHBondContact O-N 3.17Å; K185-E188 HydrophobicContact CB-CB 4.47Å; K185-E188 HydrophobicContact CB-CG 4.21Å; K185-E188 WeakPolarHBondContact CB-OE2 3.44Å; K185-E188 WeakPolarHBondContact CG-OE2 3.43Å; K185-E188 PolarHBondContact N-OE2 3.49Å; K185-E188 IonicContact NZ-OE1 3.16Å; K185-E188 PolarHBondContact NZ-OE1 3.13Å; K185-E188 IonicContact NZ-OE2 2.63Å; K185-E188 WeakPolarHBondContact O-CB 3.36Å; K185-E188 PolarHBondContact O-N 3.14Å; K185-A189 PolarHBondContact O-N 3.08Å | ||
| 186 | Q | 94.8 | Very high | 83.5 | Confident | 102 Ų | 102 | 49.6 Ų | 49.6 | 48% | 0.477 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -45.1 | -58.9 | 177.2 | 177 | 178.3 | -5.3 | 0 | 0 | 112.4 | H111 S143 E188 A189 E190 | H111-Q186 PolarHBondContact ND1-NE2 3.46Å; S143-Q186 WeakPolarHBondContact O-CG 3.3Å; Q186-E188 VanDerWaalsContact C-N 3.26Å; Q186-E188 PolarHBondContact O-N 3.14Å; Q186-A189 PolarHBondContact O-N 3.37Å; Q186-A189 VanDerWaalsContact O-N 3.17Å; Q186-E190 HydrophobicContact CG-CG 4.42Å; Q186-E190 VanDerWaalsContact CG-OE1 3.28Å; Q186-E190 WeakPolarHBondContact CG-OE1 3.24Å; Q186-E190 PolarHBondContact NE2-OE1 3.07Å; Q186-E190 WeakPolarHBondContact O-CG 3.41Å; Q186-E190 PolarHBondContact O-N 2.84Å |
| 187 | S | 90.1 | Very high | 82.7 | Confident | 25 Ų | 25 | 46.5 Ų | 46.5 | 18% | 0.175 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -71.9 | -14.9 | -176.4 | 44 | 0 | 0 | 0 | 0 | 114.9 | E107 K185 L191 | E107-S187 VanDerWaalsContact CD-OG 3.24Å; E107-S187 WeakPolarHBondContact OE1-CB 3.44Å; E107-S187 PolarHBondContact OE1-OG 3.24Å; K185-S187 PolarHBondContact O-N 3.17Å; S187-L191 VanDerWaalsContact O-CB 3.31Å; S187-L191 WeakPolarHBondContact O-CB 3.3Å; S187-L191 PolarHBondContact O-N 3.3Å; S187-L191 VanDerWaalsContact O-N 3.16Å |
| 188 | E | 84.3 | Confident | 82.5 | Confident | 71 Ų | 71 | 50 Ų | 50 | 33% | 0.332 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -79.1 | -44.1 | 169.6 | -65.5 | 163.2 | 174.6 | 0 | 0 | 110 | L184 K185 Q186 L191 C192 | L184-E188 HydrophobicContact CD2-CB 4.34Å; K185-E188 HydrophobicContact CB-CB 4.47Å; K185-E188 HydrophobicContact CB-CG 4.21Å; K185-E188 WeakPolarHBondContact CB-OE2 3.44Å; K185-E188 WeakPolarHBondContact CG-OE2 3.43Å; K185-E188 PolarHBondContact N-OE2 3.49Å; K185-E188 IonicContact NZ-OE1 3.16Å; K185-E188 PolarHBondContact NZ-OE1 3.13Å; K185-E188 IonicContact NZ-OE2 2.63Å; K185-E188 WeakPolarHBondContact O-CB 3.36Å; K185-E188 PolarHBondContact O-N 3.14Å; Q186-E188 VanDerWaalsContact C-N 3.26Å; Q186-E188 PolarHBondContact O-N 3.14Å; E188-L191 PolarHBondContact O-N 2.83Å; E188-C192 PolarHBondContact O-N 3.5Å; E188-C192 PolarHBondContact O-SG 2.9Å; E188-C192 VanDerWaalsContact O-SG 3.35Å |
| 189 | A | 80.8 | Confident | 81.7 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.6 | -41.6 | 173 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q142 L184 K185 Q186 L191 C192 F193 | Q142-A189 HydrophobicContact CB-CB 4.16Å; Q142-A189 HydrophobicContact CG-CB 3.89Å; L184-A189 HydrophobicContact CB-CB 4.39Å; K185-A189 PolarHBondContact O-N 3.08Å; Q186-A189 PolarHBondContact O-N 3.37Å; Q186-A189 VanDerWaalsContact O-N 3.17Å; A189-L191 VanDerWaalsContact C-N 3.33Å; A189-L191 PolarHBondContact O-N 2.93Å; A189-C192 PolarHBondContact O-N 3.32Å; A189-F193 WeakPolarHBondContact O-CB 3.44Å; A189-F193 PolarHBondContact O-N 2.98Å |
| 190 | E | 93 | Very high | 80.9 | Confident | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.009 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.3 | -39.8 | 171.8 | -68.6 | 176.2 | -173.2 | 0 | 0 | 111.6 | H111 F114 S143 Q186 F193 L194 | H111-E190 WeakPolarHBondContact CA-OE2 3.41Å; H111-E190 WeakPolarHBondContact CB-OE2 3.45Å; H111-E190 IonicContact CE1-OE1 3.92Å; H111-E190 IonicContact CG-OE1 3.9Å; H111-E190 IonicContact CG-OE2 3.72Å; H111-E190 IonicContact ND1-OE1 3.37Å; H111-E190 PolarHBondContact ND1-OE1 3.42Å; H111-E190 IonicContact ND1-OE2 2.66Å; H111-E190 PolarHBondContact ND1-OE2 3.15Å; F114-E190 HydrophobicContact CB-CB 4.29Å; F114-E190 HydrophobicContact CB-CG 4.18Å; F114-E190 HydrophobicContact CD1-CG 3.89Å; F114-E190 HydrophobicContact CD2-CG 4.19Å; F114-E190 HydrophobicContact CE1-CG 4.32Å; F114-E190 HydrophobicContact CG-CB 4.34Å; F114-E190 HydrophobicContact CG-CG 3.82Å; S143-E190 VanDerWaalsContact OG-CG 3.22Å; S143-E190 WeakPolarHBondContact OG-CG 3.47Å; S143-E190 PolarHBondContact OG-OE1 2.8Å; Q186-E190 HydrophobicContact CG-CG 4.42Å; Q186-E190 VanDerWaalsContact CG-OE1 3.28Å; Q186-E190 WeakPolarHBondContact CG-OE1 3.24Å; Q186-E190 PolarHBondContact NE2-OE1 3.07Å; Q186-E190 WeakPolarHBondContact O-CG 3.41Å; Q186-E190 PolarHBondContact O-N 2.84Å; E190-F193 WeakPolarHBondContact O-CB 3.48Å; E190-F193 PolarHBondContact O-N 2.79Å; E190-L194 WeakPolarHBondContact O-CB 3.25Å; E190-L194 VanDerWaalsContact O-CG 3.25Å; E190-L194 WeakPolarHBondContact O-CG 3.15Å; E190-L194 PolarHBondContact O-N 3.43Å |
| 191 | L | 81.6 | Confident | 80 | Confident | 50 Ų | 50 | 53.8 Ų | 53.8 | 26% | 0.262 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -69.5 | -34.7 | 176.9 | -172.9 | 59 | 0 | 0 | 0 | 112.3 | N102 S187 E188 A189 N195 | N102-L191 WeakPolarHBondContact OD1-CD1 3.46Å; S187-L191 VanDerWaalsContact O-CB 3.31Å; S187-L191 WeakPolarHBondContact O-CB 3.3Å; S187-L191 PolarHBondContact O-N 3.3Å; S187-L191 VanDerWaalsContact O-N 3.16Å; E188-L191 PolarHBondContact O-N 2.83Å; A189-L191 VanDerWaalsContact C-N 3.33Å; A189-L191 PolarHBondContact O-N 2.93Å; L191-N195 WeakPolarHBondContact O-CB 3.19Å; L191-N195 PolarHBondContact O-N 2.95Å; L191-N195 PolarHBondContact O-ND2 3.43Å |
| 192 | C | 71.9 | Confident | 79.9 | Confident | 41 Ų | 41 | 53.6 Ų | 53.6 | 28% | 0.277 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.9 | -42.3 | 170.3 | -70.5 | 0 | 0 | 0 | 0 | 112 | Y139 E188 A189 N195 T196 | Y139-C192 HydrophobicContact CD1-CB 3.86Å; Y139-C192 HydrophobicContact CD2-CB 4.32Å; Y139-C192 HydrophobicContact CE1-CB 3.63Å; Y139-C192 HydrophobicContact CE2-CB 4.1Å; Y139-C192 HydrophobicContact CG-CB 4.22Å; E188-C192 PolarHBondContact O-N 3.5Å; E188-C192 PolarHBondContact O-SG 2.9Å; E188-C192 VanDerWaalsContact O-SG 3.35Å; A189-C192 PolarHBondContact O-N 3.32Å; C192-N195 PolarHBondContact O-N 3.37Å; C192-T196 WeakPolarHBondContact O-CB 3.49Å; C192-T196 PolarHBondContact O-N 2.74Å; C192-T196 PolarHBondContact O-OG1 3.07Å |
| 193 | F | 89.7 | Confident | 79.6 | Confident | 4 Ų | 4 | 47.5 Ų | 47.5 | 2% | 0.018 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -57.4 | -50.8 | 172.2 | -178.7 | -77.5 | 0 | 0 | 0 | 110.8 | F114 I117 R118 I121 L136 A140 A189 E190 N195 T196 A197 | F114-F193 HydrophobicContact CD2-CB 4.15Å; F114-F193 AromaticContact CD2-CD1 3.61Å; F114-F193 HydrophobicContact CD2-CD1 3.61Å; F114-F193 AromaticContact CD2-CD2 3.92Å; F114-F193 HydrophobicContact CD2-CD2 3.92Å; F114-F193 AromaticContact CD2-CE1 3.86Å; F114-F193 HydrophobicContact CD2-CE1 3.86Å; F114-F193 HydrophobicContact CD2-CE2 4.16Å; F114-F193 AromaticContact CD2-CG 3.64Å; F114-F193 HydrophobicContact CD2-CG 3.64Å; F114-F193 HydrophobicContact CD2-CZ 4.14Å; F114-F193 HydrophobicContact CE2-CD1 4.3Å; F114-F193 AromaticContact CE2-CD2 3.76Å; F114-F193 HydrophobicContact CE2-CD2 3.76Å; F114-F193 HydrophobicContact CE2-CE1 4.44Å; F114-F193 AromaticContact CE2-CE2 3.94Å; F114-F193 HydrophobicContact CE2-CE2 3.94Å; F114-F193 AromaticContact CE2-CG 3.97Å; F114-F193 HydrophobicContact CE2-CG 3.97Å; F114-F193 HydrophobicContact CE2-CZ 4.28Å; I117-F193 HydrophobicContact CB-CE1 3.96Å; I117-F193 HydrophobicContact CG2-CE1 3.55Å; I117-F193 HydrophobicContact CG2-CZ 4.06Å; R118-F193 HydrophobicContact CB-CZ 4.13Å; I121-F193 HydrophobicContact CD1-CZ 4.44Å; L136-F193 HydrophobicContact CB-CD2 4.07Å; L136-F193 HydrophobicContact CB-CE2 3.74Å; L136-F193 HydrophobicContact CB-CZ 4.39Å; L136-F193 HydrophobicContact CD2-CB 4.48Å; L136-F193 HydrophobicContact CD2-CD1 4.07Å; L136-F193 HydrophobicContact CD2-CD2 3.72Å; L136-F193 HydrophobicContact CD2-CE1 4.24Å; L136-F193 HydrophobicContact CD2-CE2 3.89Å; L136-F193 HydrophobicContact CD2-CG 3.8Å; L136-F193 HydrophobicContact CD2-CZ 4.15Å; L136-F193 VanDerWaalsContact CD2-O 3.29Å; L136-F193 WeakPolarHBondContact CD2-O 2.96Å; L136-F193 HydrophobicContact CG-CE2 4.42Å; L136-F193 WeakPolarHBondContact O-CD2 3.41Å; L136-F193 VanDerWaalsContact O-CE2 3.28Å; L136-F193 WeakPolarHBondContact O-CE2 3.41Å; A140-F193 HydrophobicContact CB-CD2 4.4Å; A140-F193 HydrophobicContact CB-CE2 4.23Å; A189-F193 WeakPolarHBondContact O-CB 3.44Å; A189-F193 PolarHBondContact O-N 2.98Å; E190-F193 WeakPolarHBondContact O-CB 3.48Å; E190-F193 PolarHBondContact O-N 2.79Å; F193-N195 PolarHBondContact O-N 2.6Å; F193-T196 CarbonylContact O-C 3.58Å; F193-T196 WeakPolarHBondContact O-CB 3Å; F193-T196 PolarHBondContact O-N 2.88Å; F193-T196 VanDerWaalsContact O-N 3.13Å; F193-A197 HydrophobicContact CD1-CB 4.48Å; F193-A197 HydrophobicContact CE1-CB 4.41Å; F193-A197 WeakPolarHBondContact O-CB 3.24Å; F193-A197 PolarHBondContact O-N 3Å |
| 194 | L | 79 | Confident | 79.6 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.2 | -39.9 | -179.6 | -68.5 | 174.3 | 0 | 0 | 0 | 112.7 | P101 R110 I117 E190 T196 A197 R198 | P101-L194 HydrophobicContact CB-CB 3.74Å; P101-L194 HydrophobicContact CB-CD1 4.19Å; P101-L194 HydrophobicContact CG-CB 3.93Å; R110-L194 HydrophobicContact CB-CD1 3.95Å; R110-L194 HydrophobicContact CG-CD1 4.48Å; I117-L194 HydrophobicContact CD1-CD2 3.63Å; E190-L194 WeakPolarHBondContact O-CB 3.25Å; E190-L194 VanDerWaalsContact O-CG 3.25Å; E190-L194 WeakPolarHBondContact O-CG 3.15Å; E190-L194 PolarHBondContact O-N 3.43Å; L194-T196 PolarHBondContact O-N 3.08Å; L194-A197 PolarHBondContact O-N 2.89Å; L194-R198 PolarHBondContact O-N 3.46Å |
| 195 | N | 66.9 | Low | 79.8 | Confident | 41 Ų | 41 | 44.4 Ų | 44.4 | 22% | 0.219 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68.5 | -20.9 | 174.4 | -85.7 | -70.4 | 0 | 0 | 0 | 113.6 | N102 L191 C192 F193 R198 | N102-N195 PolarHBondContact ND2-ND2 3.36Å; N102-N195 PolarHBondContact ND2-OD1 3.23Å; N102-N195 PolarHBondContact OD1-ND2 3.36Å; L191-N195 WeakPolarHBondContact O-CB 3.19Å; L191-N195 PolarHBondContact O-N 2.95Å; L191-N195 PolarHBondContact O-ND2 3.43Å; C192-N195 PolarHBondContact O-N 3.37Å; F193-N195 PolarHBondContact O-N 2.6Å; N195-R198 WeakPolarHBondContact O-CG 3.39Å; N195-R198 PolarHBondContact OD1-NE 3.37Å |
| 196 | T | 66.4 | Low | 79.7 | Confident | 34 Ų | 34 | 39 Ų | 39 | 21% | 0.209 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -83.3 | -48.5 | 170.4 | -55.8 | 0 | 0 | 0 | 0 | 110.6 | V135 L136 C192 F193 L194 R198 T199 | V135-T196 HydrophobicContact CG1-CG2 4.26Å; L136-T196 HydrophobicContact CD2-CG2 3.81Å; L136-T196 HydrophobicContact CG-CG2 3.98Å; C192-T196 WeakPolarHBondContact O-CB 3.49Å; C192-T196 PolarHBondContact O-N 2.74Å; C192-T196 PolarHBondContact O-OG1 3.07Å; F193-T196 CarbonylContact O-C 3.58Å; F193-T196 WeakPolarHBondContact O-CB 3Å; F193-T196 PolarHBondContact O-N 2.88Å; F193-T196 VanDerWaalsContact O-N 3.13Å; L194-T196 PolarHBondContact O-N 3.08Å; T196-R198 VanDerWaalsContact C-N 3.26Å; T196-R198 PolarHBondContact O-N 3.07Å; T196-T199 PolarHBondContact O-N 3.18Å; T196-T199 VanDerWaalsContact O-N 3.09Å; T196-T199 PolarHBondContact O-OG1 3.21Å |
| 197 | A | 71.8 | Confident | 79.4 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.8 | -31.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | I117 L136 F193 L194 T199 L200 Y203 | I117-A197 HydrophobicContact CD1-CB 4.42Å; I117-A197 HydrophobicContact CG2-CB 3.79Å; L136-A197 HydrophobicContact CD2-CB 4.03Å; F193-A197 HydrophobicContact CD1-CB 4.48Å; F193-A197 HydrophobicContact CE1-CB 4.41Å; F193-A197 WeakPolarHBondContact O-CB 3.24Å; F193-A197 PolarHBondContact O-N 3Å; L194-A197 PolarHBondContact O-N 2.89Å; A197-T199 PolarHBondContact O-N 3.27Å; A197-T199 VanDerWaalsContact O-N 3.1Å; A197-L200 WeakPolarHBondContact O-CB 3.37Å; A197-L200 WeakPolarHBondContact O-CG 3.43Å; A197-L200 PolarHBondContact O-N 2.68Å; A197-L200 VanDerWaalsContact O-N 3.14Å; A197-Y203 HydrophobicContact CB-CD2 4.48Å; A197-Y203 WeakPolarHBondContact O-CD2 3.34Å |
| 198 | R | 77.6 | Confident | 79.5 | Confident | 105 Ų | 105 | 33.9 Ų | 33.9 | 40% | 0.396 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -1.3 | 176 | 75.5 | -177.8 | -175.2 | 72.4 | 1.3 | 115.4 | P101 L194 N195 T196 Y203 | P101-R198 HydrophobicContact CG-CB 4.42Å; L194-R198 PolarHBondContact O-N 3.46Å; N195-R198 WeakPolarHBondContact O-CG 3.39Å; N195-R198 PolarHBondContact OD1-NE 3.37Å; T196-R198 VanDerWaalsContact C-N 3.26Å; T196-R198 PolarHBondContact O-N 3.07Å; R198-Y203 HydrophobicContact CB-CD1 4.16Å; R198-Y203 HydrophobicContact CB-CD2 4.19Å; R198-Y203 HydrophobicContact CB-CE1 4.04Å; R198-Y203 HydrophobicContact CB-CE2 4.05Å; R198-Y203 HydrophobicContact CB-CG 4.25Å |
| 199 | T | 70.5 | Confident | 79.8 | Confident | 103 Ų | 103 | 31.8 Ų | 31.8 | 63% | 0.632 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | -3.1 | 172.9 | 73.9 | 0 | 0 | 0 | 0 | 113.3 | T196 A197 | T196-T199 PolarHBondContact O-N 3.18Å; T196-T199 VanDerWaalsContact O-N 3.09Å; T196-T199 PolarHBondContact O-OG1 3.21Å; A197-T199 PolarHBondContact O-N 3.27Å; A197-T199 VanDerWaalsContact O-N 3.1Å |
| 200 | L | 69.3 | Low | 80.3 | Confident | 17 Ų | 17 | 32.1 Ų | 32.1 | 9% | 0.089 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -75.3 | 137.3 | 174.3 | -58.6 | 175.3 | 0 | 0 | 0 | 110.5 | I121 L126 C128 A132 L136 A197 L202 Y203 | I121-L200 HydrophobicContact CD1-CD1 4.45Å; L126-L200 HydrophobicContact CD1-CB 4.35Å; L126-L200 HydrophobicContact CD1-CD1 4.27Å; L126-L200 HydrophobicContact CD2-CD1 3.98Å; L126-L200 HydrophobicContact CG-CD1 4.05Å; C128-L200 HydrophobicContact CB-CD1 4.22Å; C128-L200 HydrophobicContact CB-CD2 4.4Å; A132-L200 HydrophobicContact CB-CD2 4.25Å; L136-L200 HydrophobicContact CD1-CD1 4.1Å; A197-L200 WeakPolarHBondContact O-CB 3.37Å; A197-L200 WeakPolarHBondContact O-CG 3.43Å; A197-L200 PolarHBondContact O-N 2.68Å; A197-L200 VanDerWaalsContact O-N 3.14Å; L200-L202 PolarHBondContact O-N 2.93Å; L200-L202 VanDerWaalsContact O-N 3.14Å; L200-Y203 VanDerWaalsContact O-CB 3.27Å; L200-Y203 WeakPolarHBondContact O-CB 3.2Å; L200-Y203 PolarHBondContact O-N 3.19Å |
| 201 | E | 67.4 | Low | 80.2 | Confident | 119 Ų | 119 | 33.8 Ų | 33.8 | 56% | 0.556 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -35 | -175.5 | -176.6 | 175.5 | 171.6 | 0 | 0 | 113.3 | F230 C235 | E201-F230 HydrophobicContact CG-CE1 4.38Å; E201-C235 WeakPolarHBondContact OE1-CB 3.49Å; E201-C235 PolarHBondContact OE1-N 3.19Å |
| 202 | L | 78.7 | Confident | 80.4 | Confident | 14 Ų | 14 | 32.9 Ų | 32.9 | 7% | 0.073 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | 12.2 | -178.5 | -57.5 | 173.9 | 0 | 0 | 0 | 113.5 | L126 Q127 L200 G204 V205 F230 M233 | L126-L202 HydrophobicContact CD1-CB 3.77Å; Q127-L202 HydrophobicContact CB-CD1 4.2Å; L200-L202 PolarHBondContact O-N 2.93Å; L200-L202 VanDerWaalsContact O-N 3.14Å; L202-G204 PolarHBondContact O-N 2.66Å; L202-G204 VanDerWaalsContact O-N 3.08Å; L202-V205 PolarHBondContact O-N 3.43Å; L202-V205 VanDerWaalsContact O-N 3.12Å; L202-F230 HydrophobicContact CD2-CD1 4.08Å; L202-F230 HydrophobicContact CD2-CE1 3.54Å; L202-F230 HydrophobicContact CD2-CE2 4.44Å; L202-F230 HydrophobicContact CD2-CZ 3.76Å; L202-M233 HydrophobicContact CD1-CE 3.47Å; L202-M233 VanDerWaalsContact CD1-CE 3.47Å; L202-M233 HydrophobicContact CD2-CE 4.42Å |
| 203 | Y | 81.3 | Confident | 80.9 | Confident | 28 Ų | 28 | 35.2 Ų | 35.2 | 11% | 0.11 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | 116.4 | 178.2 | 171 | -95.1 | 0 | 0 | 0 | 111.3 | F97 I98 I117 A197 R198 L200 V205 | F97-Y203 HydrophobicContact CD1-CE2 4.38Å; I98-Y203 PolarHBondContact O-OH 3.2Å; I117-Y203 HydrophobicContact CD1-CD2 4.28Å; I117-Y203 HydrophobicContact CD1-CE2 3.72Å; A197-Y203 HydrophobicContact CB-CD2 4.48Å; A197-Y203 WeakPolarHBondContact O-CD2 3.34Å; R198-Y203 HydrophobicContact CB-CD1 4.16Å; R198-Y203 HydrophobicContact CB-CD2 4.19Å; R198-Y203 HydrophobicContact CB-CE1 4.04Å; R198-Y203 HydrophobicContact CB-CE2 4.05Å; R198-Y203 HydrophobicContact CB-CG 4.25Å; L200-Y203 VanDerWaalsContact O-CB 3.27Å; L200-Y203 WeakPolarHBondContact O-CB 3.2Å; L200-Y203 PolarHBondContact O-N 3.19Å; Y203-V205 PolarHBondContact O-N 3.11Å |
| 204 | G | 83.4 | Confident | 80.6 | Confident | 17 Ų | 17 | 40.7 Ų | 40.7 | 18% | 0.175 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.2 | 16.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | F97 L202 | F97-G204 VanDerWaalsContact CD2-CA 3.46Å; L202-G204 PolarHBondContact O-N 2.66Å; L202-G204 VanDerWaalsContact O-N 3.08Å |
| 205 | V | 85.3 | Confident | 80.8 | Confident | 28 Ų | 28 | 46.4 Ų | 46.4 | 17% | 0.17 | 25% | 0.253 | C | S | . | . | trans | -88 | 115.9 | -179.7 | -178.5 | 0 | 0 | 0 | 0 | 110.7 | L202 Y203 L207 L222 F230 | L202-V205 PolarHBondContact O-N 3.43Å; L202-V205 VanDerWaalsContact O-N 3.12Å; Y203-V205 PolarHBondContact O-N 3.11Å; V205-L207 HydrophobicContact CG1-CD2 3.74Å; V205-L207 HydrophobicContact CG1-CG 4.19Å; V205-L207 PolarHBondContact O-N 3.15Å; V205-L222 WeakPolarHBondContact CA-O 3.3Å; V205-F230 HydrophobicContact CG1-CE2 3.89Å; V205-F230 HydrophobicContact CG1-CZ 4.11Å | ||
| 206 | E | 90.6 | Very high | 81.7 | Confident | 19 Ų | 19 | 47.9 Ų | 47.9 | 9% | 0.089 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 109.7 | 173.9 | -173.4 | -172.1 | 102.2 | 0 | 0 | 110.9 | P68 W70 R95 H208 G221 L222 S286 H290 | P68-E206 HydrophobicContact CG-CG 3.49Å; P68-E206 VanDerWaalsContact CG-CG 3.49Å; W70-E206 PolarHBondContact NE1-OE2 3.29Å; R95-E206 IonicContact CZ-OE2 2.82Å; R95-E206 IonicContact NH1-OE2 3.23Å; R95-E206 PolarHBondContact NH1-OE2 3.13Å; R95-E206 IonicContact NH2-OE1 3.15Å; R95-E206 IonicContact NH2-OE2 3.71Å; R95-E206 PolarHBondContact NH2-OE2 2.79Å; E206-H208 IonicContact OE1-CD2 3.68Å; E206-H208 IonicContact OE1-CE1 2.74Å; E206-H208 IonicContact OE1-NE2 2.62Å; E206-H208 PolarHBondContact OE1-NE2 3.42Å; E206-G221 CarbonylContact O-C 3.46Å; E206-G221 WeakPolarHBondContact O-CA 3.11Å; E206-L222 HydrophobicContact CB-CB 4.22Å; E206-L222 PolarHBondContact N-O 2.74Å; E206-L222 PolarHBondContact O-N 2.81Å; E206-S286 WeakPolarHBondContact OE1-CB 3.42Å; E206-S286 PolarHBondContact OE1-OG 3.17Å; E206-H290 IonicContact OE2-CE1 2.86Å |
| 207 | L | 88.4 | Confident | 82.7 | Confident | 19 Ų | 19 | 50.8 Ų | 50.8 | 10% | 0.099 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 136.1 | -173 | -63.8 | 170 | 0 | 0 | 0 | 113.8 | L66 P68 V205 M219 V220 F230 M233 | L66-L207 CarbonylContact C-O 3.59Å; P68-L207 VanDerWaalsContact CD-O 3.29Å; P68-L207 WeakPolarHBondContact CD-O 3.47Å; V205-L207 HydrophobicContact CG1-CD2 3.74Å; V205-L207 HydrophobicContact CG1-CG 4.19Å; V205-L207 PolarHBondContact O-N 3.15Å; L207-M219 HydrophobicContact CB-CE 3.77Å; L207-M219 HydrophobicContact CD2-CB 4.14Å; L207-V220 CarbonylContact C-O 3.56Å; L207-V220 WeakPolarHBondContact CA-O 3.47Å; L207-F230 HydrophobicContact CD2-CD2 3.93Å; L207-F230 HydrophobicContact CD2-CE2 3.98Å; L207-M233 HydrophobicContact CD1-CE 3.78Å |
| 208 | H | 91.4 | Very high | 83.5 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 125.9 | 174.9 | -65.8 | -105.3 | 0 | 0 | 0 | 111.3 | L66 E206 M219 V220 L283 | L66-H208 CarbonylContact O-C 3.54Å; L66-H208 WeakPolarHBondContact O-CA 3.45Å; E206-H208 IonicContact OE1-CD2 3.68Å; E206-H208 IonicContact OE1-CE1 2.74Å; E206-H208 IonicContact OE1-NE2 2.62Å; E206-H208 PolarHBondContact OE1-NE2 3.42Å; H208-M219 VanDerWaalsContact C-CE 3.49Å; H208-V220 HydrophobicContact CB-CB 4.47Å; H208-V220 PolarHBondContact N-O 3.42Å; H208-V220 PolarHBondContact O-N 3.43Å; H208-L283 HydrophobicContact CB-CB 4.49Å; H208-L283 HydrophobicContact CB-CD1 4.06Å |
| 209 | A | 90.8 | Very high | 83.9 | Confident | 27 Ų | 27 | 47.8 Ų | 47.8 | 22% | 0.223 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 132.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L66 M219 P275 | L66-A209 HydrophobicContact CB-CB 4.31Å; L66-A209 PolarHBondContact O-N 3.27Å; A209-M219 HydrophobicContact CB-CE 4.08Å; A209-M219 HydrophobicContact CB-SD 3.82Å; A209-P275 WeakPolarHBondContact O-CD 3.03Å |
| 210 | A | 91.3 | Very high | 84.9 | Confident | 7 Ų | 7 | 42.9 Ų | 42.9 | 6% | 0.058 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | -179.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111 | L218 V220 N273 L274 | A210-L218 CarbonylContact C-O 3.43Å; A210-L218 HydrophobicContact CB-CD1 4.02Å; A210-L218 PolarHBondContact N-O 2.9Å; A210-L218 PolarHBondContact O-N 3.5Å; A210-V220 HydrophobicContact CB-CG2 3.86Å; A210-N273 CarbonylContact C-O 3.59Å; A210-N273 WeakPolarHBondContact CA-O 3.37Å; A210-L274 HydrophobicContact CB-CD1 3.93Å; A210-L274 HydrophobicContact CB-CG 3.89Å |
| 211 | T | 91.1 | Very high | 85.8 | Confident | 37 Ų | 37 | 42 Ų | 42 | 23% | 0.227 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 160.8 | 161.5 | 72.6 | 0 | 0 | 0 | 0 | 109.9 | T216 L272 N273 | T211-T216 CarbonylContact C-O 3.55Å; T211-T216 WeakPolarHBondContact CA-O 3.39Å; T211-T216 VanDerWaalsContact CB-O 3.27Å; T211-T216 WeakPolarHBondContact CB-O 3.36Å; T211-L272 WeakPolarHBondContact O-CA 3.45Å; T211-N273 PolarHBondContact N-O 3.37Å; T211-N273 PolarHBondContact O-N 2.82Å |
| 212 | D | 86.6 | Confident | 86.9 | Confident | 30 Ų | 30 | 36.4 Ų | 36.4 | 16% | 0.16 | 21% | 0.214 | C | C | . | . | trans | -71.3 | -163.9 | 167.4 | 69.7 | 4.8 | 0 | 0 | 0 | 112.3 | N214 N215 T216 L218 N273 | D212-N214 VanDerWaalsContact C-N 3.31Å; D212-N214 VanDerWaalsContact OD1-C 3.3Å; D212-N214 VanDerWaalsContact OD1-CA 3.29Å; D212-N214 WeakPolarHBondContact OD1-CA 3.41Å; D212-N214 WeakPolarHBondContact OD1-CB 3.25Å; D212-N214 PolarHBondContact OD1-N 2.94Å; D212-N215 PolarHBondContact OD1-N 2.91Å; D212-T216 VanDerWaalsContact CG-OG1 3.29Å; D212-T216 PolarHBondContact N-O 2.88Å; D212-T216 PolarHBondContact OD1-N 2.8Å; D212-T216 PolarHBondContact OD1-OG1 3.28Å; D212-T216 WeakPolarHBondContact OD2-CB 3.23Å; D212-T216 PolarHBondContact OD2-OG1 3.06Å; D212-L218 HydrophobicContact CB-CD2 3.93Å; D212-N273 PolarHBondContact O-ND2 2.93Å; D212-N273 VanDerWaalsContact O-ND2 3.15Å | ||
| 213 | T | 82.3 | Confident | 87.1 | Confident | 91 Ų | 91 | 36.4 Ų | 36.4 | 56% | 0.558 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -73.3 | -18.8 | 173 | 49.9 | 0 | 0 | 0 | 0 | 114.3 | ||
| 214 | N | 82.5 | Confident | 87.1 | Confident | 118 Ų | 118 | 36.3 Ų | 36.3 | 63% | 0.631 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -98.7 | -5.5 | -174.8 | -52.2 | -17 | 0 | 0 | 0 | 111.6 | D212 | D212-N214 VanDerWaalsContact C-N 3.31Å; D212-N214 VanDerWaalsContact OD1-C 3.3Å; D212-N214 VanDerWaalsContact OD1-CA 3.29Å; D212-N214 WeakPolarHBondContact OD1-CA 3.41Å; D212-N214 WeakPolarHBondContact OD1-CB 3.25Å; D212-N214 PolarHBondContact OD1-N 2.94Å |
| 215 | N | 84.1 | Confident | 86.7 | Confident | 120 Ų | 120 | 38.3 Ų | 38.3 | 64% | 0.642 | 23% | 0.231 | S | C | * | . | trans | 76.4 | 17.3 | -172.7 | -45.6 | -79.3 | 0 | 0 | 0 | 115.1 | D212 | D212-N215 PolarHBondContact OD1-N 2.91Š| ||
| 216 | T | 84.8 | Confident | 86.5 | Confident | 72 Ų | 72 | 37 Ų | 37 | 44% | 0.442 | 22% | 0.223 | S | C | . | . | trans | -65.3 | 128 | 168.6 | -36.6 | 0 | 0 | 0 | 0 | 109.5 | T211 D212 | T211-T216 CarbonylContact C-O 3.55Å; T211-T216 WeakPolarHBondContact CA-O 3.39Å; T211-T216 VanDerWaalsContact CB-O 3.27Å; T211-T216 WeakPolarHBondContact CB-O 3.36Å; D212-T216 VanDerWaalsContact CG-OG1 3.29Å; D212-T216 PolarHBondContact N-O 2.88Å; D212-T216 PolarHBondContact OD1-N 2.8Å; D212-T216 PolarHBondContact OD1-OG1 3.28Å; D212-T216 WeakPolarHBondContact OD2-CB 3.23Å; D212-T216 PolarHBondContact OD2-OG1 3.06Å | ||
| 217 | P | 86.9 | Confident | 86.2 | Confident | 95 Ų | 95 | 36.1 Ų | 36.1 | 62% | 0.617 | 22% | 0.218 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 137.1 | 177.9 | 29.1 | -34.6 | 0 | 0 | 0 | 111.7 | ||
| 218 | L | 88.7 | Confident | 85.8 | Confident | 19 Ų | 19 | 35.4 Ų | 35.4 | 10% | 0.099 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 164.5 | 176.7 | 63.9 | 83.1 | 0 | 0 | 0 | 111.7 | A210 D212 V220 M229 F230 L272 | A210-L218 CarbonylContact C-O 3.43Å; A210-L218 HydrophobicContact CB-CD1 4.02Å; A210-L218 PolarHBondContact N-O 2.9Å; A210-L218 PolarHBondContact O-N 3.5Å; D212-L218 HydrophobicContact CB-CD2 3.93Å; L218-V220 HydrophobicContact CD1-CG2 4.04Å; L218-M229 HydrophobicContact CD1-SD 4.21Å; L218-F230 WeakPolarHBondContact CA-O 3.38Å; L218-F230 WeakPolarHBondContact CB-O 3.44Å; L218-L272 HydrophobicContact CD1-CD1 4.38Å; L218-L272 HydrophobicContact CD1-CD2 4.22Å; L218-L272 HydrophobicContact CD2-CD2 4.02Å |
| 219 | M | 86.9 | Confident | 85.3 | Confident | 23 Ų | 23 | 35.6 Ų | 35.6 | 11% | 0.113 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 132.1 | 174.3 | -59.6 | -58.8 | -60.5 | 0 | 0 | 110.7 | L66 L207 H208 A209 M229 F230 M233 | L66-M219 HydrophobicContact CB-CE 4Å; L66-M219 HydrophobicContact CD2-CE 3.57Å; L66-M219 HydrophobicContact CD2-SD 4.33Å; L66-M219 HydrophobicContact CG-CE 4.34Å; L207-M219 HydrophobicContact CB-CE 3.77Å; L207-M219 HydrophobicContact CD2-CB 4.14Å; H208-M219 VanDerWaalsContact C-CE 3.49Å; A209-M219 HydrophobicContact CB-CE 4.08Å; A209-M219 HydrophobicContact CB-SD 3.82Å; M219-M229 CarbonylContact O-C 3.54Å; M219-M229 WeakPolarHBondContact O-CA 3.5Å; M219-F230 HydrophobicContact CB-CB 4.29Å; M219-F230 PolarHBondContact N-O 3.36Å; M219-F230 PolarHBondContact O-N 2.85Å; M219-M233 HydrophobicContact CG-SD 4.4Å |
| 220 | V | 90.6 | Very high | 84.4 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 114.9 | 169.6 | -171.1 | 0 | 0 | 0 | 0 | 108.3 | L207 H208 A210 L218 V227 A228 M229 L272 L283 | L207-V220 CarbonylContact C-O 3.56Å; L207-V220 WeakPolarHBondContact CA-O 3.47Å; H208-V220 HydrophobicContact CB-CB 4.47Å; H208-V220 PolarHBondContact N-O 3.42Å; H208-V220 PolarHBondContact O-N 3.43Å; A210-V220 HydrophobicContact CB-CG2 3.86Å; L218-V220 HydrophobicContact CD1-CG2 4.04Å; V220-V227 HydrophobicContact CG1-CG1 3.63Å; V220-A228 CarbonylContact C-O 3.5Å; V220-A228 WeakPolarHBondContact CA-O 3.46Å; V220-M229 HydrophobicContact CB-SD 4.21Å; V220-M229 HydrophobicContact CG1-CE 4.03Å; V220-M229 HydrophobicContact CG1-SD 3.98Å; V220-M229 HydrophobicContact CG2-SD 3.84Å; V220-L272 HydrophobicContact CG2-CD1 3.5Å; V220-L272 VanDerWaalsContact CG2-CD1 3.5Å; V220-L283 HydrophobicContact CB-CD1 4.32Å; V220-L283 HydrophobicContact CB-CD2 4.19Å; V220-L283 HydrophobicContact CG1-CD1 3.94Å; V220-L283 HydrophobicContact CG1-CD2 4.14Å; V220-L283 HydrophobicContact CG2-CD2 4.09Å |
| 221 | G | 88.2 | Confident | 83.5 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 139.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | E206 V227 A228 | E206-G221 CarbonylContact O-C 3.46Å; E206-G221 WeakPolarHBondContact O-CA 3.11Å; G221-V227 CarbonylContact O-C 3.53Å; G221-V227 WeakPolarHBondContact O-CA 3.17Å; G221-A228 PolarHBondContact N-O 2.92Å; G221-A228 PolarHBondContact O-N 3.47Å |
| 222 | L | 90.1 | Very high | 82.4 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 128.9 | 170.8 | -49.2 | -179.1 | 0 | 0 | 0 | 109.5 | V205 E206 V227 W241 L283 S286 C287 | V205-L222 WeakPolarHBondContact CA-O 3.3Å; E206-L222 HydrophobicContact CB-CB 4.22Å; E206-L222 PolarHBondContact N-O 2.74Å; E206-L222 PolarHBondContact O-N 2.81Å; L222-V227 HydrophobicContact CD2-CB 4.43Å; L222-V227 HydrophobicContact CD2-CG1 4.05Å; L222-V227 HydrophobicContact CD2-CG2 3.91Å; L222-W241 HydrophobicContact CD2-CH2 4.44Å; L222-L283 HydrophobicContact CD1-CD1 4.2Å; L222-L283 HydrophobicContact CD2-CD1 4.02Å; L222-L283 HydrophobicContact CG-CD1 4.32Å; L222-S286 VanDerWaalsContact CD1-CB 3.45Å; L222-C287 WeakPolarHBondContact CD2-SG 3.45Å |
| 223 | A | 84.1 | Confident | 81.6 | Confident | 14 Ų | 14 | 43.5 Ų | 43.5 | 12% | 0.116 | 26% | 0.255 | C | S | . | . | trans | -127.8 | 169.6 | -179 | 0 | 0 | 0 | 0 | 0 | 111.1 | S225 G226 W241 | A223-S225 PolarHBondContact O-N 2.72Å; A223-G226 PolarHBondContact N-O 2.85Å; A223-G226 PolarHBondContact O-N 3.2Å; A223-W241 PolarHBondContact O-NE1 3.03Å | ||
| 224 | S | 81.3 | Confident | 80.5 | Confident | 27 Ų | 27 | 44.8 Ų | 44.8 | 19% | 0.189 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -59 | -26.2 | 174.5 | 59.2 | 0 | 0 | 0 | 0 | 113.7 | S99 F294 | S99-S224 PolarHBondContact OG-OG 2.87Å; S224-F294 VanDerWaalsContact CB-CE1 3.41Å; S224-F294 WeakPolarHBondContact O-CG 3.39Å |
| 225 | S | 74.7 | Confident | 79.9 | Confident | 59 Ų | 59 | 41.7 Ų | 41.7 | 41% | 0.413 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -96.6 | -25.3 | -176.8 | 49.5 | 0 | 0 | 0 | 0 | 114.7 | A223 F238 P240 W241 | A223-S225 PolarHBondContact O-N 2.72Å; S225-F238 VanDerWaalsContact OG-CZ 3.29Å; S225-F238 WeakPolarHBondContact OG-CZ 3.42Å; S225-P240 WeakPolarHBondContact O-CA 3.45Å; S225-W241 PolarHBondContact O-N 3.33Å |
| 226 | G | 80.4 | Confident | 78.9 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 171.9 | -160.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115 | A223 F239 W241 | A223-G226 PolarHBondContact N-O 2.85Å; A223-G226 PolarHBondContact O-N 3.2Å; G226-F239 CarbonylContact C-O 3.53Å; G226-F239 VanDerWaalsContact CA-O 3.25Å; G226-F239 WeakPolarHBondContact CA-O 3.34Å; G226-W241 VanDerWaalsContact N-CD1 3.33Å |
| 227 | V | 85.4 | Confident | 78.1 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 130.3 | 173.8 | -176.4 | 0 | 0 | 0 | 0 | 109.1 | V220 G221 L222 M229 F238 F239 W241 I244 | V220-V227 HydrophobicContact CG1-CG1 3.63Å; G221-V227 CarbonylContact O-C 3.53Å; G221-V227 WeakPolarHBondContact O-CA 3.17Å; L222-V227 HydrophobicContact CD2-CB 4.43Å; L222-V227 HydrophobicContact CD2-CG1 4.05Å; L222-V227 HydrophobicContact CD2-CG2 3.91Å; V227-M229 HydrophobicContact CG1-CE 3.79Å; V227-F238 WeakPolarHBondContact O-CD2 3.47Å; V227-F239 PolarHBondContact N-O 2.8Å; V227-F239 WeakPolarHBondContact O-CD2 3.16Å; V227-F239 PolarHBondContact O-N 3.41Å; V227-W241 HydrophobicContact CG2-CE3 4.37Å; V227-W241 HydrophobicContact CG2-CH2 3.43Å; V227-W241 VanDerWaalsContact CG2-CH2 3.43Å; V227-W241 HydrophobicContact CG2-CZ2 4.21Å; V227-W241 HydrophobicContact CG2-CZ3 3.54Å; V227-I244 HydrophobicContact CB-CD1 4.44Å; V227-I244 HydrophobicContact CG2-CD1 3.91Å |
| 228 | A | 80.3 | Confident | 77.7 | Confident | 5 Ų | 5 | 37.4 Ų | 37.4 | 4% | 0.041 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 157.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | V220 G221 F230 S237 F238 | V220-A228 CarbonylContact C-O 3.5Å; V220-A228 WeakPolarHBondContact CA-O 3.46Å; G221-A228 PolarHBondContact N-O 2.92Å; G221-A228 PolarHBondContact O-N 3.47Å; A228-F230 HydrophobicContact CB-CD2 4.25Å; A228-F230 HydrophobicContact CB-CE2 3.51Å; A228-F230 HydrophobicContact CB-CZ 3.93Å; A228-S237 CarbonylContact C-O 3.45Å; A228-S237 WeakPolarHBondContact CA-O 3.29Å; A228-F238 HydrophobicContact CB-CD2 3.96Å |
| 229 | M | 80.7 | Confident | 77.3 | Confident | 4 Ų | 4 | 37.9 Ų | 37.9 | 2% | 0.02 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 138.8 | 164.6 | -49.7 | -59.6 | 158.1 | 0 | 0 | 108.8 | L218 M219 V220 V227 S236 S237 F239 L272 | L218-M229 HydrophobicContact CD1-SD 4.21Å; M219-M229 CarbonylContact O-C 3.54Å; M219-M229 WeakPolarHBondContact O-CA 3.5Å; V220-M229 HydrophobicContact CB-SD 4.21Å; V220-M229 HydrophobicContact CG1-CE 4.03Å; V220-M229 HydrophobicContact CG1-SD 3.98Å; V220-M229 HydrophobicContact CG2-SD 3.84Å; V227-M229 HydrophobicContact CG1-CE 3.79Å; M229-S236 PolarHBondContact O-N 2.87Å; M229-S236 PolarHBondContact O-OG 2.74Å; M229-S237 WeakPolarHBondContact CB-OG 3.22Å; M229-S237 WeakPolarHBondContact CG-OG 3.49Å; M229-S237 PolarHBondContact N-O 3.25Å; M229-S237 PolarHBondContact O-N 2.82Å; M229-F239 HydrophobicContact CE-CD2 3.91Å; M229-F239 HydrophobicContact CE-CE2 3.66Å; M229-F239 HydrophobicContact CG-CE2 3.88Å; M229-L272 HydrophobicContact CE-CD1 3.77Å; M229-L272 HydrophobicContact SD-CD1 3.65Å |
| 230 | F | 71.8 | Confident | 76.8 | Confident | 6 Ų | 6 | 37.9 Ų | 37.9 | 3% | 0.026 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 132.9 | 177.1 | -57.9 | -101.9 | 0 | 0 | 0 | 110.6 | E201 L202 V205 L207 L218 M219 A228 M233 I234 C235 | E201-F230 HydrophobicContact CG-CE1 4.38Å; L202-F230 HydrophobicContact CD2-CD1 4.08Å; L202-F230 HydrophobicContact CD2-CE1 3.54Å; L202-F230 HydrophobicContact CD2-CE2 4.44Å; L202-F230 HydrophobicContact CD2-CZ 3.76Å; V205-F230 HydrophobicContact CG1-CE2 3.89Å; V205-F230 HydrophobicContact CG1-CZ 4.11Å; L207-F230 HydrophobicContact CD2-CD2 3.93Å; L207-F230 HydrophobicContact CD2-CE2 3.98Å; L218-F230 WeakPolarHBondContact CA-O 3.38Å; L218-F230 WeakPolarHBondContact CB-O 3.44Å; M219-F230 HydrophobicContact CB-CB 4.29Å; M219-F230 PolarHBondContact N-O 3.36Å; M219-F230 PolarHBondContact O-N 2.85Å; A228-F230 HydrophobicContact CB-CD2 4.25Å; A228-F230 HydrophobicContact CB-CE2 3.51Å; A228-F230 HydrophobicContact CB-CZ 3.93Å; F230-M233 WeakPolarHBondContact CD1-O 3.44Å; F230-I234 CarbonylContact C-O 3.58Å; F230-I234 WeakPolarHBondContact CA-O 3.36Å; F230-C235 VanDerWaalsContact CD1-CA 3.49Å; F230-C235 HydrophobicContact CD1-CB 3.86Å; F230-C235 HydrophobicContact CE1-CB 3.67Å; F230-C235 HydrophobicContact CZ-CB 4.42Å |
| 231 | C | 72.2 | Confident | 76.4 | Confident | 53 Ų | 53 | 38.6 Ų | 38.6 | 36% | 0.358 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 124.8 | 171.5 | -60.9 | 0 | 0 | 0 | 0 | 107.5 | M233 I234 S236 | C231-M233 PolarHBondContact O-N 3.04Å; C231-I234 PolarHBondContact N-O 3.29Å; C231-I234 PolarHBondContact O-N 3.45Å; C231-S236 PolarHBondContact SG-OG 2.98Å |
| 232 | N | 68.8 | Low | 75.9 | Confident | 154 Ų | 154 | 40.4 Ų | 40.4 | 82% | 0.824 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.5 | 41.7 | -172.6 | -59.6 | -12.5 | 0 | 0 | 0 | 113.3 | I234 | N232-I234 PolarHBondContact O-N 3.14Å; N232-I234 VanDerWaalsContact O-N 3.17Å |
| 233 | M | 69.2 | Low | 75.4 | Confident | 54 Ų | 54 | 44 Ų | 44 | 27% | 0.266 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.5 | -0.6 | -175.1 | -53.6 | -59.3 | -63 | 0 | 0 | 116.8 | L202 L207 M219 F230 C231 | L202-M233 HydrophobicContact CD1-CE 3.47Å; L202-M233 VanDerWaalsContact CD1-CE 3.47Å; L202-M233 HydrophobicContact CD2-CE 4.42Å; L207-M233 HydrophobicContact CD1-CE 3.78Å; M219-M233 HydrophobicContact CG-SD 4.4Å; F230-M233 WeakPolarHBondContact CD1-O 3.44Å; C231-M233 PolarHBondContact O-N 3.04Å |
| 234 | I | 58.9 | Low | 75.4 | Confident | 117 Ų | 117 | 43.7 Ų | 43.7 | 60% | 0.6 | 26% | 0.258 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90 | 131.1 | 174.6 | -57.5 | 171.3 | 0 | 0 | 0 | 109.6 | F230 C231 N232 S236 | F230-I234 CarbonylContact C-O 3.58Å; F230-I234 WeakPolarHBondContact CA-O 3.36Å; C231-I234 PolarHBondContact N-O 3.29Å; C231-I234 PolarHBondContact O-N 3.45Å; N232-I234 PolarHBondContact O-N 3.14Å; N232-I234 VanDerWaalsContact O-N 3.17Å; I234-S236 PolarHBondContact O-N 2.85Å |
| 235 | C | 69.4 | Low | 75.6 | Confident | 54 Ų | 54 | 44.5 Ų | 44.5 | 37% | 0.365 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 116.3 | 178.1 | -168.7 | 0 | 0 | 0 | 0 | 111.7 | E201 F230 | E201-C235 WeakPolarHBondContact OE1-CB 3.49Å; E201-C235 PolarHBondContact OE1-N 3.19Å; F230-C235 VanDerWaalsContact CD1-CA 3.49Å; F230-C235 HydrophobicContact CD1-CB 3.86Å; F230-C235 HydrophobicContact CE1-CB 3.67Å; F230-C235 HydrophobicContact CZ-CB 4.42Å |
| 236 | S | 62.6 | Low | 76.1 | Confident | 69 Ų | 69 | 43.8 Ų | 43.8 | 48% | 0.483 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | -23.2 | -176.6 | 65.1 | 0 | 0 | 0 | 0 | 114 | M229 C231 I234 | M229-S236 PolarHBondContact O-N 2.87Å; M229-S236 PolarHBondContact O-OG 2.74Å; C231-S236 PolarHBondContact SG-OG 2.98Å; I234-S236 PolarHBondContact O-N 2.85Å |
| 237 | S | 69 | Low | 76.7 | Confident | 42 Ų | 42 | 44.1 Ų | 44.1 | 29% | 0.294 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.7 | 150.5 | 172.9 | 51.1 | 0 | 0 | 0 | 0 | 111.8 | A228 M229 | A228-S237 CarbonylContact C-O 3.45Å; A228-S237 WeakPolarHBondContact CA-O 3.29Å; M229-S237 WeakPolarHBondContact CB-OG 3.22Å; M229-S237 WeakPolarHBondContact CG-OG 3.49Å; M229-S237 PolarHBondContact N-O 3.25Å; M229-S237 PolarHBondContact O-N 2.82Å |
| 238 | F | 78.2 | Confident | 76.9 | Confident | 86 Ų | 86 | 44.8 Ų | 44.8 | 38% | 0.377 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 136.6 | -178.6 | -178.8 | -108.4 | 0 | 0 | 0 | 112.4 | S225 V227 A228 P240 | S225-F238 VanDerWaalsContact OG-CZ 3.29Å; S225-F238 WeakPolarHBondContact OG-CZ 3.42Å; V227-F238 WeakPolarHBondContact O-CD2 3.47Å; A228-F238 HydrophobicContact CB-CD2 3.96Å; F238-P240 HydrophobicContact CD1-CG 4.07Å; F238-P240 HydrophobicContact CE1-CB 4.22Å; F238-P240 HydrophobicContact CE1-CG 3.76Å |
| 239 | F | 79.7 | Confident | 77.4 | Confident | 28 Ų | 28 | 47.2 Ų | 47.2 | 12% | 0.123 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 95.9 | -174.7 | -51.4 | -64.5 | 0 | 0 | 0 | 109.5 | G226 V227 M229 I244 L258 V270 | G226-F239 CarbonylContact C-O 3.53Å; G226-F239 VanDerWaalsContact CA-O 3.25Å; G226-F239 WeakPolarHBondContact CA-O 3.34Å; V227-F239 PolarHBondContact N-O 2.8Å; V227-F239 WeakPolarHBondContact O-CD2 3.16Å; V227-F239 PolarHBondContact O-N 3.41Å; M229-F239 HydrophobicContact CE-CD2 3.91Å; M229-F239 HydrophobicContact CE-CE2 3.66Å; M229-F239 HydrophobicContact CG-CE2 3.88Å; F239-I244 HydrophobicContact CB-CD1 4.2Å; F239-I244 HydrophobicContact CB-CG1 4.37Å; F239-L258 HydrophobicContact CB-CD2 4.03Å; F239-L258 HydrophobicContact CD1-CD1 3.58Å; F239-L258 HydrophobicContact CD1-CD2 3.84Å; F239-L258 HydrophobicContact CD1-CG 4.36Å; F239-L258 HydrophobicContact CE1-CD1 3.73Å; F239-L258 HydrophobicContact CG-CD2 4.11Å; F239-V270 HydrophobicContact CE1-CG2 3.89Å; F239-V270 HydrophobicContact CE2-CG1 4.29Å; F239-V270 HydrophobicContact CE2-CG2 4.29Å; F239-V270 HydrophobicContact CZ-CG1 4.28Å; F239-V270 HydrophobicContact CZ-CG2 3.7Å |
| 240 | P | 77 | Confident | 77.9 | Confident | 23 Ų | 23 | 55.1 Ų | 55.1 | 15% | 0.149 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.7 | 143.1 | 178.8 | -22.7 | 30.5 | 0 | 0 | 0 | 111.8 | S225 F238 G242 N243 L744 | S225-P240 WeakPolarHBondContact O-CA 3.45Å; F238-P240 HydrophobicContact CD1-CG 4.07Å; F238-P240 HydrophobicContact CE1-CB 4.22Å; F238-P240 HydrophobicContact CE1-CG 3.76Å; P240-G242 PolarHBondContact O-N 3.14Å; P240-G242 VanDerWaalsContact O-N 3.11Å; P240-N243 PolarHBondContact O-N 2.8Å; P240-L744 HydrophobicContact CB-CD1 4.27Å; P240-L744 HydrophobicContact CG-CD1 4.43Å |
| 241 | W | 82.5 | Confident | 78.8 | Confident | 16 Ų | 16 | 65 Ų | 65 | 6% | 0.061 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -52.3 | -39 | 178.5 | -70.9 | 125.9 | 0 | 0 | 0 | 112.5 | L222 A223 S225 G226 V227 N243 I244 I247 C287 H290 H291 | L222-W241 HydrophobicContact CD2-CH2 4.44Å; A223-W241 PolarHBondContact O-NE1 3.03Å; S225-W241 PolarHBondContact O-N 3.33Å; G226-W241 VanDerWaalsContact N-CD1 3.33Å; V227-W241 HydrophobicContact CG2-CE3 4.37Å; V227-W241 HydrophobicContact CG2-CH2 3.43Å; V227-W241 VanDerWaalsContact CG2-CH2 3.43Å; V227-W241 HydrophobicContact CG2-CZ2 4.21Å; V227-W241 HydrophobicContact CG2-CZ3 3.54Å; W241-N243 PolarHBondContact O-N 3.18Å; W241-I244 HydrophobicContact CE3-CD1 3.94Å; W241-I244 HydrophobicContact CZ3-CD1 4.14Å; W241-I244 PolarHBondContact O-N 3.27Å; W241-I247 HydrophobicContact CZ3-CD1 4.04Å; W241-C287 HydrophobicContact CH2-CB 4.18Å; W241-C287 HydrophobicContact CZ3-CB 4.38Å; W241-H290 HydrophobicContact CH2-CB 4.1Å; W241-H290 HydrophobicContact CZ2-CB 3.51Å; W241-H291 HydrophobicContact CD2-CB 4.18Å; W241-H291 HydrophobicContact CE3-CB 3.79Å; W241-H291 AromaticContact CE3-CD2 3.78Å; W241-H291 HydrophobicContact CZ3-CB 3.97Å |
| 242 | G | 76.8 | Confident | 79.7 | Confident | 38 Ų | 38 | 69.3 Ų | 69.3 | 39% | 0.392 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -65.8 | -13.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | P240 K259 | P240-G242 PolarHBondContact O-N 3.14Å; P240-G242 VanDerWaalsContact O-N 3.11Å; G242-K259 VanDerWaalsContact O-CE 3.24Å; G242-K259 WeakPolarHBondContact O-CE 3.37Å; G242-K259 PolarHBondContact O-NZ 2.83Å |
| 243 | N | 81.3 | Confident | 80.9 | Confident | 76 Ų | 76 | 67.7 Ų | 67.7 | 41% | 0.406 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -101.8 | -3.5 | 179.9 | -68.5 | 2.2 | 0 | 0 | 0 | 112.9 | P240 W241 L258 K259 | P240-N243 PolarHBondContact O-N 2.8Å; W241-N243 PolarHBondContact O-N 3.18Å; N243-L258 CarbonylContact O-C 3.52Å; N243-L258 WeakPolarHBondContact O-CA 3.43Å; N243-K259 PolarHBondContact O-N 2.89Å |
| 244 | I | 83.5 | Confident | 82.1 | Confident | 6 Ų | 6 | 65.1 Ų | 65.1 | 3% | 0.031 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 114.3 | -179.1 | -61.2 | 170.9 | 0 | 0 | 0 | 109.7 | V227 F239 W241 I247 V256 H257 L258 | V227-I244 HydrophobicContact CB-CD1 4.44Å; V227-I244 HydrophobicContact CG2-CD1 3.91Å; F239-I244 HydrophobicContact CB-CD1 4.2Å; F239-I244 HydrophobicContact CB-CG1 4.37Å; W241-I244 HydrophobicContact CE3-CD1 3.94Å; W241-I244 HydrophobicContact CZ3-CD1 4.14Å; W241-I244 PolarHBondContact O-N 3.27Å; I244-I247 HydrophobicContact CD1-CD1 4.5Å; I244-I247 HydrophobicContact CG2-CD1 4.05Å; I244-I247 HydrophobicContact CG2-CG1 3.56Å; I244-V256 HydrophobicContact CB-CG1 4.41Å; I244-V256 HydrophobicContact CD1-CG1 3.92Å; I244-V256 HydrophobicContact CG1-CG1 3.78Å; I244-V256 HydrophobicContact CG2-CG1 3.81Å; I244-H257 CarbonylContact C-O 3.54Å; I244-L258 HydrophobicContact CG1-CD2 3.92Å |
| 245 | I | 84.6 | Confident | 83.7 | Confident | 45 Ų | 45 | 60 Ų | 60 | 23% | 0.231 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | -38.7 | 173.9 | -63 | 177.9 | 0 | 0 | 0 | 110.7 | H257 K259 W343 | I245-H257 PolarHBondContact N-O 2.81Å; I245-K259 HydrophobicContact CD1-CB 4.5Å; I245-K259 HydrophobicContact CD1-CG 4.06Å; I245-K259 HydrophobicContact CG1-CB 4.39Å; I245-K259 HydrophobicContact CG1-CG 3.56Å; I245-W343 WeakPolarHBondContact O-CB 3.49Å; I245-W343 PolarHBondContact O-N 3.14Å |
| 246 | K | 86.6 | Confident | 84.7 | Confident | 43 Ų | 43 | 57.5 Ų | 57.5 | 19% | 0.187 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.4 | 145.7 | -168.3 | 153.3 | 175.9 | 174.1 | -162.6 | 0 | 111.5 | H257 M341 V342 | K246-H257 HydrophobicContact CB-CB 3.85Å; K246-H257 HydrophobicContact CG-CB 4.19Å; K246-H257 PolarHBondContact N-O 2.85Å; K246-H257 WeakPolarHBondContact O-CB 3.35Å; K246-H257 PolarHBondContact O-N 3.37Å; K246-M341 WeakPolarHBondContact CA-O 3.42Å; K246-M341 VanDerWaalsContact CB-O 3.23Å; K246-M341 WeakPolarHBondContact CB-O 3.47Å; K246-M341 VanDerWaalsContact CG-O 3.24Å; K246-M341 WeakPolarHBondContact CG-O 3.44Å; K246-V342 HydrophobicContact CD-CG2 4.05Å |
| 247 | I | 91.6 | Very high | 85.9 | Confident | 7 Ų | 7 | 56 Ų | 56 | 4% | 0.036 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 131.3 | 167.7 | -49.9 | -179.4 | 0 | 0 | 0 | 107.9 | W241 I244 F254 W284 C287 M341 | W241-I247 HydrophobicContact CZ3-CD1 4.04Å; I244-I247 HydrophobicContact CD1-CD1 4.5Å; I244-I247 HydrophobicContact CG2-CD1 4.05Å; I244-I247 HydrophobicContact CG2-CG1 3.56Å; I247-F254 HydrophobicContact CG2-CD2 4.3Å; I247-F254 HydrophobicContact CG2-CE1 4.32Å; I247-F254 HydrophobicContact CG2-CE2 3.33Å; I247-F254 HydrophobicContact CG2-CZ 3.35Å; I247-W284 PolarHBondContact O-NE1 3.11Å; I247-W284 VanDerWaalsContact O-NE1 3.11Å; I247-C287 HydrophobicContact CD1-CB 3.57Å; I247-M341 PolarHBondContact O-N 3.25Å |
| 248 | S | 89.5 | Confident | 86.5 | Confident | 15 Ų | 15 | 54.9 Ų | 54.9 | 11% | 0.105 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 159 | -175 | 61.9 | 0 | 0 | 0 | 0 | 111.4 | V255 H257 G339 | S248-V255 PolarHBondContact N-O 2.94Å; S248-V255 PolarHBondContact O-N 3.33Å; S248-H257 PolarHBondContact OG-NE2 2.81Å; S248-H257 VanDerWaalsContact OG-NE2 3.16Å; S248-G339 WeakPolarHBondContact CA-O 3.25Å; S248-G339 WeakPolarHBondContact CB-O 3.5Å |
| 249 | Y | 92.6 | Very high | 86.5 | Confident | 55 Ų | 55 | 55.6 Ų | 55.6 | 22% | 0.216 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 143.8 | 177.1 | 79.7 | -75.5 | 0 | 0 | 0 | 111.7 | R253 K281 W284 G339 | Y249-R253 CarbonylContact C-O 3.57Å; Y249-R253 VanDerWaalsContact CA-O 3.3Å; Y249-R253 WeakPolarHBondContact CA-O 3.35Å; Y249-K281 HydrophobicContact CD2-CB 4.33Å; Y249-K281 HydrophobicContact CE1-CG 4.25Å; Y249-K281 HydrophobicContact CE2-CB 3.73Å; Y249-K281 HydrophobicContact CE2-CD 4.38Å; Y249-K281 HydrophobicContact CE2-CG 3.97Å; Y249-K281 WeakPolarHBondContact OH-CD 3.26Å; Y249-K281 WeakPolarHBondContact OH-CG 3.25Å; Y249-W284 HydrophobicContact CD1-CB 3.82Å; Y249-W284 AromaticContact CD1-CD1 3.85Å; Y249-W284 AromaticContact CD1-CD2 3.77Å; Y249-W284 HydrophobicContact CD1-CD2 3.77Å; Y249-W284 HydrophobicContact CD1-CE3 4.31Å; Y249-W284 AromaticContact CD1-CG 3.49Å; Y249-W284 HydrophobicContact CD1-CG 3.49Å; Y249-W284 VanDerWaalsContact CD1-CG 3.49Å; Y249-W284 HydrophobicContact CE1-CB 4.45Å; Y249-W284 AromaticContact CE1-CD2 3.8Å; Y249-W284 HydrophobicContact CE1-CD2 3.8Å; Y249-W284 AromaticContact CE1-CE3 3.9Å; Y249-W284 HydrophobicContact CE1-CE3 3.9Å; Y249-W284 HydrophobicContact CE1-CG 4.02Å; Y249-W284 HydrophobicContact CG-CB 4.27Å; Y249-W284 HydrophobicContact CG-CG 4.36Å; Y249-G339 PolarHBondContact N-O 2.99Å |
| 250 | K | 89.6 | Confident | 86.1 | Confident | 171 Ų | 171 | 60.6 Ų | 60.6 | 74% | 0.743 | 27% | 0.268 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 111 | -178.3 | -169.6 | 174.6 | -178.9 | 179.1 | 0 | 109.8 | R252 R253 | K250-R252 PolarHBondContact O-N 2.77Å; K250-R252 VanDerWaalsContact O-N 3.11Å; K250-R253 PolarHBondContact N-O 3.07Å; K250-R253 PolarHBondContact O-N 3.48Å |
| 251 | R | 91.2 | Very high | 85.2 | Confident | 213 Ų | 213 | 65.6 Ų | 65.6 | 80% | 0.804 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56 | -107.5 | -170.4 | -59.8 | 177.1 | 175.2 | 173.5 | -3 | 110.9 | P277 | R251-P277 VanDerWaalsContact O-CA 3.28Å; R251-P277 WeakPolarHBondContact O-CA 3.09Å; R251-P277 WeakPolarHBondContact O-CB 3.39Å |
| 252 | R | 92.3 | Very high | 83.3 | Confident | 143 Ų | 143 | 72.1 Ų | 72.1 | 54% | 0.54 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | -17.6 | 177.2 | -68.4 | -170.8 | -170 | -167.5 | 2 | 113.4 | K250 L274 P275 P277 C280 | K250-R252 PolarHBondContact O-N 2.77Å; K250-R252 VanDerWaalsContact O-N 3.11Å; R252-L274 WeakPolarHBondContact CB-O 3.47Å; R252-L274 WeakPolarHBondContact CD-O 3.49Å; R252-L274 PolarHBondContact O-N 3.14Å; R252-P275 PolarHBondContact NE-O 3.31Å; R252-P275 PolarHBondContact NH1-O 2.58Å; R252-P277 HydrophobicContact CG-CG 4.17Å; R252-C280 VanDerWaalsContact C-SG 3.5Å; R252-C280 PolarHBondContact O-SG 3.11Å |
| 253 | R | 92.5 | Very high | 81.8 | Confident | 120 Ų | 120 | 73.4 Ų | 73.4 | 45% | 0.453 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 126.6 | -178.1 | -176.6 | 171.6 | 170.1 | 174.2 | -6.6 | 110.3 | Y249 K250 V255 S271 L272 | Y249-R253 CarbonylContact C-O 3.57Å; Y249-R253 VanDerWaalsContact CA-O 3.3Å; Y249-R253 WeakPolarHBondContact CA-O 3.35Å; K250-R253 PolarHBondContact N-O 3.07Å; K250-R253 PolarHBondContact O-N 3.48Å; R253-V255 HydrophobicContact CG-CG2 3.94Å; R253-S271 PolarHBondContact NE-OG 2.93Å; R253-S271 PolarHBondContact NH2-OG 3.05Å; R253-L272 CarbonylContact C-O 3.52Å; R253-L272 VanDerWaalsContact CA-O 3.27Å; R253-L272 WeakPolarHBondContact CA-O 3.2Å |
| 254 | F | 94.6 | Very high | 80.4 | Confident | 0 Ų | 0 | 73.2 Ų | 73.2 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 140.2 | 173 | 176.2 | -99.4 | 0 | 0 | 0 | 108.4 | I247 V256 L272 L274 L283 W284 | I247-F254 HydrophobicContact CG2-CD2 4.3Å; I247-F254 HydrophobicContact CG2-CE1 4.32Å; I247-F254 HydrophobicContact CG2-CE2 3.33Å; I247-F254 HydrophobicContact CG2-CZ 3.35Å; F254-V256 HydrophobicContact CD1-CG2 4.3Å; F254-V256 HydrophobicContact CE1-CG2 3.5Å; F254-V256 VanDerWaalsContact CE1-CG2 3.5Å; F254-V256 HydrophobicContact CZ-CG2 4.04Å; F254-L272 HydrophobicContact CD1-CD1 4.23Å; F254-L272 PolarHBondContact N-O 3.33Å; F254-L272 PolarHBondContact O-N 2.72Å; F254-L274 HydrophobicContact CB-CD1 3.73Å; F254-L274 HydrophobicContact CG-CD1 4.35Å; F254-L283 HydrophobicContact CD1-CD2 3.86Å; F254-L283 HydrophobicContact CD2-CD2 4Å; F254-L283 HydrophobicContact CD2-CG 4.22Å; F254-L283 HydrophobicContact CE1-CD2 3.83Å; F254-L283 HydrophobicContact CE1-CG 4.34Å; F254-L283 HydrophobicContact CE2-CD2 3.99Å; F254-L283 HydrophobicContact CE2-CG 3.84Å; F254-L283 HydrophobicContact CG-CD2 3.93Å; F254-L283 HydrophobicContact CZ-CD2 3.9Å; F254-L283 HydrophobicContact CZ-CG 3.9Å; F254-W284 HydrophobicContact CD2-CB 4.36Å; F254-W284 HydrophobicContact CE2-CB 4.11Å |
| 255 | V | 92.6 | Very high | 78.7 | Confident | 11 Ų | 11 | 78.9 Ų | 78.9 | 7% | 0.067 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 125 | -176.2 | -167.5 | 0 | 0 | 0 | 0 | 111.3 | S248 R253 H257 E269 V270 | S248-V255 PolarHBondContact N-O 2.94Å; S248-V255 PolarHBondContact O-N 3.33Å; R253-V255 HydrophobicContact CG-CG2 3.94Å; V255-H257 WeakPolarHBondContact CB-NE2 3.15Å; V255-H257 WeakPolarHBondContact CG1-NE2 3.42Å; V255-E269 HydrophobicContact CG1-CB 4.09Å; V255-E269 HydrophobicContact CG1-CG 4.24Å; V255-E269 WeakPolarHBondContact CG1-OE2 3.46Å; V255-V270 WeakPolarHBondContact CA-O 3.42Å |
| 256 | V | 90.6 | Very high | 77.1 | Confident | 0 Ų | 0 | 83.8 Ų | 83.8 | 0% | 0 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 121.3 | 171.5 | -174.1 | 0 | 0 | 0 | 0 | 108.2 | I244 F254 L258 V270 | I244-V256 HydrophobicContact CB-CG1 4.41Å; I244-V256 HydrophobicContact CD1-CG1 3.92Å; I244-V256 HydrophobicContact CG1-CG1 3.78Å; I244-V256 HydrophobicContact CG2-CG1 3.81Å; F254-V256 HydrophobicContact CD1-CG2 4.3Å; F254-V256 HydrophobicContact CE1-CG2 3.5Å; F254-V256 VanDerWaalsContact CE1-CG2 3.5Å; F254-V256 HydrophobicContact CZ-CG2 4.04Å; V256-L258 HydrophobicContact CG1-CD2 3.83Å; V256-V270 HydrophobicContact CB-CB 4.39Å; V256-V270 PolarHBondContact N-O 2.9Å; V256-V270 PolarHBondContact O-N 2.85Å |
| 257 | H | 86.8 | Confident | 75.7 | Confident | 38 Ų | 38 | 84.8 Ų | 84.8 | 18% | 0.176 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 114.5 | -179.9 | -65.4 | -128.6 | 0 | 0 | 0 | 107.2 | I244 I245 K246 S248 V255 E269 | I244-H257 CarbonylContact C-O 3.54Å; I245-H257 PolarHBondContact N-O 2.81Å; K246-H257 HydrophobicContact CB-CB 3.85Å; K246-H257 HydrophobicContact CG-CB 4.19Å; K246-H257 PolarHBondContact N-O 2.85Å; K246-H257 WeakPolarHBondContact O-CB 3.35Å; K246-H257 PolarHBondContact O-N 3.37Å; S248-H257 PolarHBondContact OG-NE2 2.81Å; S248-H257 VanDerWaalsContact OG-NE2 3.16Å; V255-H257 WeakPolarHBondContact CB-NE2 3.15Å; V255-H257 WeakPolarHBondContact CG1-NE2 3.42Å; H257-E269 IonicContact CE1-OE1 3.2Å; H257-E269 PolarHBondContact CE1-OE1 3.37Å; H257-E269 IonicContact CE1-OE2 3.46Å; H257-E269 IonicContact ND1-OE1 3.2Å; H257-E269 IonicContact NE2-OE1 2.74Å; H257-E269 IonicContact NE2-OE2 3.41Å; H257-E269 PolarHBondContact NE2-OE2 2.91Å |
| 258 | L | 82.8 | Confident | 74.9 | Confident | 19 Ų | 19 | 87 Ų | 87 | 10% | 0.099 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 154.9 | -176.8 | -56.5 | 175.7 | 0 | 0 | 0 | 111.2 | F239 N243 I244 V256 R260 C268 V270 | F239-L258 HydrophobicContact CB-CD2 4.03Å; F239-L258 HydrophobicContact CD1-CD1 3.58Å; F239-L258 HydrophobicContact CD1-CD2 3.84Å; F239-L258 HydrophobicContact CD1-CG 4.36Å; F239-L258 HydrophobicContact CE1-CD1 3.73Å; F239-L258 HydrophobicContact CG-CD2 4.11Å; N243-L258 CarbonylContact O-C 3.52Å; N243-L258 WeakPolarHBondContact O-CA 3.43Å; I244-L258 HydrophobicContact CG1-CD2 3.92Å; V256-L258 HydrophobicContact CG1-CD2 3.83Å; L258-R260 PolarHBondContact O-N 2.87Å; L258-C268 HydrophobicContact CB-CB 4.24Å; L258-C268 WeakPolarHBondContact CB-O 3.24Å; L258-C268 PolarHBondContact N-O 2.83Å; L258-V270 HydrophobicContact CD1-CG2 3.87Å |
| 259 | K | 77.9 | Confident | 74.7 | Confident | 101 Ų | 101 | 90.6 Ų | 90.6 | 44% | 0.439 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 132.7 | 168.7 | -71.4 | -179.2 | 178.9 | 169.2 | 0 | 109.9 | G242 N243 I245 K261 | G242-K259 VanDerWaalsContact O-CE 3.24Å; G242-K259 WeakPolarHBondContact O-CE 3.37Å; G242-K259 PolarHBondContact O-NZ 2.83Å; N243-K259 PolarHBondContact O-N 2.89Å; I245-K259 HydrophobicContact CD1-CB 4.5Å; I245-K259 HydrophobicContact CD1-CG 4.06Å; I245-K259 HydrophobicContact CG1-CB 4.39Å; I245-K259 HydrophobicContact CG1-CG 3.56Å; K259-K261 PolarHBondContact O-N 3.19Å |
| 260 | R | 70.9 | Confident | 74.4 | Confident | 132 Ų | 132 | 89.5 Ų | 89.5 | 50% | 0.498 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -48.4 | 127.9 | 170.6 | -50.5 | -174.3 | -173 | -160.6 | -5.1 | 110 | L258 E264 T265 D267 | L258-R260 PolarHBondContact O-N 2.87Å; R260-E264 HydrophobicContact CB-CB 4.43Å; R260-T265 PolarHBondContact NH1-O 2.81Å; R260-D267 WeakPolarHBondContact CG-OD1 3.23Å; R260-D267 IonicContact CZ-OD1 2.61Å; R260-D267 IonicContact CZ-OD2 2.67Å; R260-D267 VanDerWaalsContact NE-CG 3.26Å; R260-D267 IonicContact NE-OD1 3.17Å; R260-D267 PolarHBondContact NE-OD1 2.53Å; R260-D267 IonicContact NE-OD2 3.4Å; R260-D267 PolarHBondContact NE-OD2 3.5Å; R260-D267 IonicContact NH2-OD1 3.44Å; R260-D267 IonicContact NH2-OD2 2.76Å; R260-D267 PolarHBondContact NH2-OD2 3.34Å |
| 261 | K | 58.9 | Low | 74.4 | Confident | 129 Ų | 129 | 82.1 Ų | 82.1 | 56% | 0.561 | 39% | 0.392 | S | S | * | . | P | Polyproline II helix | trans | -71 | 158.5 | 165.1 | -57.7 | -176.5 | -178.1 | -179.3 | 0 | 109.3 | K259 G263 E264 | K259-K261 PolarHBondContact O-N 3.19Å; K261-G263 PolarHBondContact O-N 3.16Å; K261-E264 HydrophobicContact CB-CG 4.08Å; K261-E264 WeakPolarHBondContact CD-OE1 3.41Å; K261-E264 PolarHBondContact N-OE2 3.32Å; K261-E264 PolarHBondContact O-N 3.29Å |
| 262 | H | 42.7 | Very low | 74.5 | Confident | 153 Ų | 153 | 72.3 Ų | 72.3 | 71% | 0.708 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | 95.8 | -176.4 | -176.5 | 70.8 | 0 | 0 | 0 | 111.2 | K871 | H262-K871 PolarHBondContact CD2-NZ 3Å; H262-K871 VanDerWaalsContact CD2-NZ 3.32Å; H262-K871 PolarHBondContact NE2-NZ 3.16Å |
| 263 | G | 44.1 | Very low | 74.5 | Confident | 65 Ų | 65 | 67.9 Ų | 67.9 | 67% | 0.67 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 133.6 | -19.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | K261 | K261-G263 PolarHBondContact O-N 3.16Š|
| 264 | E | 53.4 | Low | 74.5 | Confident | 71 Ų | 71 | 62.4 Ų | 62.4 | 33% | 0.332 | 32% | 0.322 | S | S | . | . | trans | -77.6 | 128.1 | -179.4 | -67.3 | 173.1 | 171.5 | 0 | 0 | 111.9 | R260 K261 Q266 | R260-E264 HydrophobicContact CB-CB 4.43Å; K261-E264 HydrophobicContact CB-CG 4.08Å; K261-E264 WeakPolarHBondContact CD-OE1 3.41Å; K261-E264 PolarHBondContact N-OE2 3.32Å; K261-E264 PolarHBondContact O-N 3.29Å; E264-Q266 VanDerWaalsContact C-N 3.34Å | ||
| 265 | T | 47.1 | Very low | 74.1 | Confident | 126 Ų | 126 | 66 Ų | 66 | 77% | 0.773 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -78.3 | -15.8 | -179.3 | 54.3 | 0 | 0 | 0 | 0 | 113.8 | R260 | R260-T265 PolarHBondContact NH1-O 2.81Š|
| 266 | Q | 50.1 | Low | 73.9 | Confident | 147 Ų | 147 | 67.5 Ų | 67.5 | 69% | 0.687 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -135.5 | 163.8 | -179 | -60.4 | -171.4 | 11.7 | 0 | 0 | 111.1 | E264 | E264-Q266 VanDerWaalsContact C-N 3.34Š|
| 267 | D | 57.7 | Low | 73.8 | Confident | 65 Ų | 65 | 70.6 Ų | 70.6 | 35% | 0.348 | 38% | 0.376 | S | S | . | . | trans | -73.7 | 131.2 | 174.9 | -56.9 | -71.8 | 0 | 0 | 0 | 110.8 | R260 E269 | R260-D267 WeakPolarHBondContact CG-OD1 3.23Å; R260-D267 IonicContact CZ-OD1 2.61Å; R260-D267 IonicContact CZ-OD2 2.67Å; R260-D267 VanDerWaalsContact NE-CG 3.26Å; R260-D267 IonicContact NE-OD1 3.17Å; R260-D267 PolarHBondContact NE-OD1 2.53Å; R260-D267 IonicContact NE-OD2 3.4Å; R260-D267 PolarHBondContact NE-OD2 3.5Å; R260-D267 IonicContact NH2-OD1 3.44Å; R260-D267 IonicContact NH2-OD2 2.76Å; R260-D267 PolarHBondContact NH2-OD2 3.34Å; D267-E269 PolarHBondContact O-N 3.1Å | ||
| 268 | C | 74.9 | Confident | 73.8 | Confident | 52 Ų | 52 | 73 Ų | 73 | 35% | 0.351 | 39% | 0.387 | S | S | . | . | trans | -76.1 | 117.3 | -179.1 | -176.4 | 0 | 0 | 0 | 0 | 110.7 | L258 | L258-C268 HydrophobicContact CB-CB 4.24Å; L258-C268 WeakPolarHBondContact CB-O 3.24Å; L258-C268 PolarHBondContact N-O 2.83Å | ||
| 269 | E | 85.7 | Confident | 74.1 | Confident | 92 Ų | 92 | 73.1 Ų | 73.1 | 43% | 0.43 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 116.7 | 178.8 | -73.6 | -165.6 | -165.7 | 0 | 0 | 112.6 | V255 H257 D267 | V255-E269 HydrophobicContact CG1-CB 4.09Å; V255-E269 HydrophobicContact CG1-CG 4.24Å; V255-E269 WeakPolarHBondContact CG1-OE2 3.46Å; H257-E269 IonicContact CE1-OE1 3.2Å; H257-E269 PolarHBondContact CE1-OE1 3.37Å; H257-E269 IonicContact CE1-OE2 3.46Å; H257-E269 IonicContact ND1-OE1 3.2Å; H257-E269 IonicContact NE2-OE1 2.74Å; H257-E269 IonicContact NE2-OE2 3.41Å; H257-E269 PolarHBondContact NE2-OE2 2.91Å; D267-E269 PolarHBondContact O-N 3.1Å |
| 270 | V | 86.4 | Confident | 74.7 | Confident | 31 Ų | 31 | 68.3 Ų | 68.3 | 19% | 0.188 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 119.1 | 168.8 | -178.7 | 0 | 0 | 0 | 0 | 108.8 | F239 V255 V256 L258 | F239-V270 HydrophobicContact CE1-CG2 3.89Å; F239-V270 HydrophobicContact CE2-CG1 4.29Å; F239-V270 HydrophobicContact CE2-CG2 4.29Å; F239-V270 HydrophobicContact CZ-CG1 4.28Å; F239-V270 HydrophobicContact CZ-CG2 3.7Å; V255-V270 WeakPolarHBondContact CA-O 3.42Å; V256-V270 HydrophobicContact CB-CB 4.39Å; V256-V270 PolarHBondContact N-O 2.9Å; V256-V270 PolarHBondContact O-N 2.85Å; L258-V270 HydrophobicContact CD1-CG2 3.87Å |
| 271 | S | 90.3 | Very high | 75.6 | Confident | 17 Ų | 17 | 66 Ų | 66 | 12% | 0.119 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 130.7 | -176.2 | -74.6 | 0 | 0 | 0 | 0 | 112.5 | R253 | R253-S271 PolarHBondContact NE-OG 2.93Å; R253-S271 PolarHBondContact NH2-OG 3.05Å |
| 272 | L | 92.6 | Very high | 77.1 | Confident | 7 Ų | 7 | 60.7 Ų | 60.7 | 4% | 0.037 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 159.6 | -177.4 | -57.8 | 176.3 | 0 | 0 | 0 | 110.8 | T211 L218 V220 M229 R253 F254 | T211-L272 WeakPolarHBondContact O-CA 3.45Å; L218-L272 HydrophobicContact CD1-CD1 4.38Å; L218-L272 HydrophobicContact CD1-CD2 4.22Å; L218-L272 HydrophobicContact CD2-CD2 4.02Å; V220-L272 HydrophobicContact CG2-CD1 3.5Å; V220-L272 VanDerWaalsContact CG2-CD1 3.5Å; M229-L272 HydrophobicContact CE-CD1 3.77Å; M229-L272 HydrophobicContact SD-CD1 3.65Å; R253-L272 CarbonylContact C-O 3.52Å; R253-L272 VanDerWaalsContact CA-O 3.27Å; R253-L272 WeakPolarHBondContact CA-O 3.2Å; F254-L272 HydrophobicContact CD1-CD1 4.23Å; F254-L272 PolarHBondContact N-O 3.33Å; F254-L272 PolarHBondContact O-N 2.72Å |
| 273 | N | 92.5 | Very high | 79.5 | Confident | 50 Ų | 50 | 53.4 Ų | 53.4 | 27% | 0.267 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 131.7 | 172.6 | -63.2 | -69.4 | 0 | 0 | 0 | 110.3 | A210 T211 D212 | A210-N273 CarbonylContact C-O 3.59Å; A210-N273 WeakPolarHBondContact CA-O 3.37Å; T211-N273 PolarHBondContact N-O 3.37Å; T211-N273 PolarHBondContact O-N 2.82Å; D212-N273 PolarHBondContact O-ND2 2.93Å; D212-N273 VanDerWaalsContact O-ND2 3.15Å |
| 274 | L | 91.4 | Very high | 81.9 | Confident | 4 Ų | 4 | 52.7 Ų | 52.7 | 2% | 0.021 | 28% | 0.282 | C | S | . | . | trans | -107 | 152.3 | 175.5 | -83.5 | 88.3 | 0 | 0 | 0 | 111.8 | A210 R252 F254 C276 C280 L283 | A210-L274 HydrophobicContact CB-CD1 3.93Å; A210-L274 HydrophobicContact CB-CG 3.89Å; R252-L274 WeakPolarHBondContact CB-O 3.47Å; R252-L274 WeakPolarHBondContact CD-O 3.49Å; R252-L274 PolarHBondContact O-N 3.14Å; F254-L274 HydrophobicContact CB-CD1 3.73Å; F254-L274 HydrophobicContact CG-CD1 4.35Å; L274-C276 PolarHBondContact O-N 3.08Å; L274-C280 HydrophobicContact CB-CB 4.04Å; L274-L283 HydrophobicContact CD1-CD2 3.73Å; L274-L283 HydrophobicContact CD2-CB 3.95Å; L274-L283 HydrophobicContact CD2-CD2 3.77Å; L274-L283 HydrophobicContact CG-CD2 4.38Å | ||
| 275 | P | 87.1 | Confident | 83.6 | Confident | 76 Ų | 76 | 51.4 Ų | 51.4 | 49% | 0.494 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -51.2 | -35.1 | -171.9 | -31.9 | 35.6 | 0 | 0 | 0 | 115.4 | A209 R252 | A209-P275 WeakPolarHBondContact O-CD 3.03Å; R252-P275 PolarHBondContact NE-O 3.31Å; R252-P275 PolarHBondContact NH1-O 2.58Å |
| 276 | C | 87.7 | Confident | 85.8 | Confident | 42 Ų | 42 | 45.6 Ų | 45.6 | 28% | 0.284 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -149.5 | 166 | 172.9 | 68 | 0 | 0 | 0 | 0 | 112.9 | L274 K278 T279 C280 | L274-C276 PolarHBondContact O-N 3.08Å; C276-K278 PolarHBondContact O-N 3.32Å; C276-K278 VanDerWaalsContact O-N 3.14Å; C276-T279 PolarHBondContact N-OG1 2.92Å; C276-T279 PolarHBondContact O-N 2.84Å; C276-T279 PolarHBondContact O-OG1 2.85Å; C276-T279 VanDerWaalsContact O-OG1 3.05Å; C276-C280 WeakPolarHBondContact O-CB 3.47Å; C276-C280 PolarHBondContact O-N 3.22Å |
| 277 | P | 89.1 | Confident | 87.9 | Confident | 65 Ų | 65 | 38.6 Ų | 38.6 | 42% | 0.422 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -61.9 | -20.5 | 177.2 | -24.5 | 35.8 | 0 | 0 | 0 | 114.7 | R251 R252 K281 | R251-P277 VanDerWaalsContact O-CA 3.28Å; R251-P277 WeakPolarHBondContact O-CA 3.09Å; R251-P277 WeakPolarHBondContact O-CB 3.39Å; R252-P277 HydrophobicContact CG-CG 4.17Å; P277-K281 VanDerWaalsContact O-CB 3.29Å; P277-K281 WeakPolarHBondContact O-CB 3.17Å; P277-K281 PolarHBondContact O-N 2.97Å; P277-K281 VanDerWaalsContact O-N 3.14Å |
| 278 | K | 86.7 | Confident | 89.4 | Confident | 90 Ų | 90 | 36.7 Ų | 36.7 | 39% | 0.391 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -70.1 | -49.9 | 174.2 | 179.4 | -168.4 | 173.4 | -168.3 | 0 | 110.9 | E53 C276 K281 N282 | E53-K278 IonicContact OE1-NZ 3.17Å; E53-K278 PolarHBondContact OE1-NZ 2.96Å; E53-K278 IonicContact OE2-NZ 2.7Å; E53-K278 PolarHBondContact OE2-NZ 2.94Å; C276-K278 PolarHBondContact O-N 3.32Å; C276-K278 VanDerWaalsContact O-N 3.14Å; K278-K281 PolarHBondContact O-N 3.32Å; K278-N282 PolarHBondContact O-N 3.36Å; K278-N282 PolarHBondContact O-OD1 3.21Å |
| 279 | T | 88.8 | Confident | 90.2 | Very high | 21 Ų | 21 | 37.2 Ų | 37.2 | 13% | 0.129 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -68 | -42.6 | 177.1 | 52.1 | 0 | 0 | 0 | 0 | 111.3 | C276 K281 N282 L283 | C276-T279 PolarHBondContact N-OG1 2.92Å; C276-T279 PolarHBondContact O-N 2.84Å; C276-T279 PolarHBondContact O-OG1 2.85Å; C276-T279 VanDerWaalsContact O-OG1 3.05Å; T279-K281 VanDerWaalsContact C-N 3.28Å; T279-K281 PolarHBondContact O-N 2.71Å; T279-N282 WeakPolarHBondContact O-CA 3.34Å; T279-N282 PolarHBondContact O-N 2.99Å; T279-L283 PolarHBondContact O-N 3.49Å |
| 280 | C | 91.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -51.1 | -44.5 | 173 | -162.2 | 0 | 0 | 0 | 0 | 112.8 | R252 L274 C276 W284 | R252-C280 VanDerWaalsContact C-SG 3.5Å; R252-C280 PolarHBondContact O-SG 3.11Å; L274-C280 HydrophobicContact CB-CB 4.04Å; C276-C280 WeakPolarHBondContact O-CB 3.47Å; C276-C280 PolarHBondContact O-N 3.22Å; C280-W284 WeakPolarHBondContact O-CB 3.3Å; C280-W284 PolarHBondContact O-N 2.99Å; C280-W284 VanDerWaalsContact O-N 3.16Å |
| 281 | K | 89.9 | Confident | 90.4 | Very high | 82 Ų | 82 | 32.8 Ų | 32.8 | 36% | 0.357 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -74.6 | -26.8 | 176 | -170.9 | 179.4 | 179.7 | 175.7 | 0 | 113.8 | Y249 P277 K278 T279 R285 | Y249-K281 HydrophobicContact CD2-CB 4.33Å; Y249-K281 HydrophobicContact CE1-CG 4.25Å; Y249-K281 HydrophobicContact CE2-CB 3.73Å; Y249-K281 HydrophobicContact CE2-CD 4.38Å; Y249-K281 HydrophobicContact CE2-CG 3.97Å; Y249-K281 WeakPolarHBondContact OH-CD 3.26Å; Y249-K281 WeakPolarHBondContact OH-CG 3.25Å; P277-K281 VanDerWaalsContact O-CB 3.29Å; P277-K281 WeakPolarHBondContact O-CB 3.17Å; P277-K281 PolarHBondContact O-N 2.97Å; P277-K281 VanDerWaalsContact O-N 3.14Å; K278-K281 PolarHBondContact O-N 3.32Å; T279-K281 VanDerWaalsContact C-N 3.28Å; T279-K281 PolarHBondContact O-N 2.71Å; K281-R285 WeakPolarHBondContact O-CG 3.36Å; K281-R285 PolarHBondContact O-N 3.48Å; K281-R285 VanDerWaalsContact O-N 3.14Å; K281-R285 PolarHBondContact O-NH1 3.42Å |
| 282 | N | 89.9 | Confident | 90.3 | Very high | 19 Ų | 19 | 34.2 Ų | 34.2 | 10% | 0.102 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -75.1 | -43.4 | 177.4 | -72.3 | -0.8 | 0 | 0 | 0 | 111.4 | K278 T279 R285 S286 | K278-N282 PolarHBondContact O-N 3.36Å; K278-N282 PolarHBondContact O-OD1 3.21Å; T279-N282 WeakPolarHBondContact O-CA 3.34Å; T279-N282 PolarHBondContact O-N 2.99Å; N282-R285 PolarHBondContact O-N 2.91Å; N282-R285 PolarHBondContact OD1-NH1 2.88Å; N282-S286 WeakPolarHBondContact O-CB 3.49Å; N282-S286 PolarHBondContact O-N 3.28Å; N282-S286 PolarHBondContact O-OG 2.59Å |
| 283 | L | 93 | Very high | 90.1 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -56.3 | -52.1 | 168.9 | 172.8 | 60.9 | 0 | 0 | 0 | 110.2 | H208 V220 L222 F254 L274 T279 R285 S286 C287 | H208-L283 HydrophobicContact CB-CB 4.49Å; H208-L283 HydrophobicContact CB-CD1 4.06Å; V220-L283 HydrophobicContact CB-CD1 4.32Å; V220-L283 HydrophobicContact CB-CD2 4.19Å; V220-L283 HydrophobicContact CG1-CD1 3.94Å; V220-L283 HydrophobicContact CG1-CD2 4.14Å; V220-L283 HydrophobicContact CG2-CD2 4.09Å; L222-L283 HydrophobicContact CD1-CD1 4.2Å; L222-L283 HydrophobicContact CD2-CD1 4.02Å; L222-L283 HydrophobicContact CG-CD1 4.32Å; F254-L283 HydrophobicContact CD1-CD2 3.86Å; F254-L283 HydrophobicContact CD2-CD2 4Å; F254-L283 HydrophobicContact CD2-CG 4.22Å; F254-L283 HydrophobicContact CE1-CD2 3.83Å; F254-L283 HydrophobicContact CE1-CG 4.34Å; F254-L283 HydrophobicContact CE2-CD2 3.99Å; F254-L283 HydrophobicContact CE2-CG 3.84Å; F254-L283 HydrophobicContact CG-CD2 3.93Å; F254-L283 HydrophobicContact CZ-CD2 3.9Å; F254-L283 HydrophobicContact CZ-CG 3.9Å; L274-L283 HydrophobicContact CD1-CD2 3.73Å; L274-L283 HydrophobicContact CD2-CB 3.95Å; L274-L283 HydrophobicContact CD2-CD2 3.77Å; L274-L283 HydrophobicContact CG-CD2 4.38Å; T279-L283 PolarHBondContact O-N 3.49Å; L283-R285 VanDerWaalsContact C-N 3.34Å; L283-R285 PolarHBondContact O-N 3.37Å; L283-S286 PolarHBondContact O-N 2.76Å; L283-C287 PolarHBondContact O-N 3.16Å; L283-C287 PolarHBondContact O-SG 3.31Å |
| 284 | W | 94.3 | Very high | 89.6 | Confident | 50 Ų | 50 | 35.1 Ų | 35.1 | 19% | 0.189 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -54.9 | -43.3 | 179.4 | 174.1 | 81.8 | 0 | 0 | 0 | 114 | I247 Y249 F254 C280 V288 | I247-W284 PolarHBondContact O-NE1 3.11Å; I247-W284 VanDerWaalsContact O-NE1 3.11Å; Y249-W284 HydrophobicContact CD1-CB 3.82Å; Y249-W284 AromaticContact CD1-CD1 3.85Å; Y249-W284 AromaticContact CD1-CD2 3.77Å; Y249-W284 HydrophobicContact CD1-CD2 3.77Å; Y249-W284 HydrophobicContact CD1-CE3 4.31Å; Y249-W284 AromaticContact CD1-CG 3.49Å; Y249-W284 HydrophobicContact CD1-CG 3.49Å; Y249-W284 VanDerWaalsContact CD1-CG 3.49Å; Y249-W284 HydrophobicContact CE1-CB 4.45Å; Y249-W284 AromaticContact CE1-CD2 3.8Å; Y249-W284 HydrophobicContact CE1-CD2 3.8Å; Y249-W284 AromaticContact CE1-CE3 3.9Å; Y249-W284 HydrophobicContact CE1-CE3 3.9Å; Y249-W284 HydrophobicContact CE1-CG 4.02Å; Y249-W284 HydrophobicContact CG-CB 4.27Å; Y249-W284 HydrophobicContact CG-CG 4.36Å; F254-W284 HydrophobicContact CD2-CB 4.36Å; F254-W284 HydrophobicContact CE2-CB 4.11Å; C280-W284 WeakPolarHBondContact O-CB 3.3Å; C280-W284 PolarHBondContact O-N 2.99Å; C280-W284 VanDerWaalsContact O-N 3.16Å; W284-V288 HydrophobicContact CZ2-CG2 4.12Å; W284-V288 WeakPolarHBondContact O-CG2 3.38Å; W284-V288 PolarHBondContact O-N 3.12Å |
| 285 | R | 90.2 | Very high | 88.9 | Confident | 43 Ų | 43 | 36.7 Ų | 36.7 | 16% | 0.162 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.3 | -51.1 | 172.6 | -74.7 | -170 | -152.7 | 89.7 | -37.2 | 111.2 | E72 K281 N282 L283 C287 V288 D289 | E72-R285 IonicContact OE1-CZ 3.77Å; E72-R285 IonicContact OE1-NE 2.69Å; E72-R285 PolarHBondContact OE1-NE 2.65Å; E72-R285 IonicContact OE1-NH2 2.79Å; E72-R285 PolarHBondContact OE1-NH2 3.42Å; E72-R285 WeakPolarHBondContact OE2-CD 3.4Å; E72-R285 IonicContact OE2-CZ 2.37Å; E72-R285 IonicContact OE2-NE 3.55Å; E72-R285 PolarHBondContact OE2-NE 3.09Å; E72-R285 IonicContact OE2-NH2 3.66Å; K281-R285 WeakPolarHBondContact O-CG 3.36Å; K281-R285 PolarHBondContact O-N 3.48Å; K281-R285 VanDerWaalsContact O-N 3.14Å; K281-R285 PolarHBondContact O-NH1 3.42Å; N282-R285 PolarHBondContact O-N 2.91Å; N282-R285 PolarHBondContact OD1-NH1 2.88Å; L283-R285 VanDerWaalsContact C-N 3.34Å; L283-R285 PolarHBondContact O-N 3.37Å; R285-C287 PolarHBondContact O-N 2.67Å; R285-C287 VanDerWaalsContact O-N 3.17Å; R285-V288 CarbonylContact O-C 3.52Å; R285-V288 WeakPolarHBondContact O-CA 3.34Å; R285-V288 WeakPolarHBondContact O-CB 3.27Å; R285-V288 PolarHBondContact O-N 2.95Å; R285-D289 PolarHBondContact O-N 2.85Å |
| 286 | S | 93 | Very high | 87.6 | Confident | 4 Ų | 4 | 36.5 Ų | 36.5 | 3% | 0.028 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.6 | -35.2 | -175.8 | -54.3 | 0 | 0 | 0 | 0 | 111.6 | E206 L222 N282 L283 D289 H290 | E206-S286 WeakPolarHBondContact OE1-CB 3.42Å; E206-S286 PolarHBondContact OE1-OG 3.17Å; L222-S286 VanDerWaalsContact CD1-CB 3.45Å; N282-S286 WeakPolarHBondContact O-CB 3.49Å; N282-S286 PolarHBondContact O-N 3.28Å; N282-S286 PolarHBondContact O-OG 2.59Å; L283-S286 PolarHBondContact O-N 2.76Å; S286-D289 PolarHBondContact O-N 2.89Å; S286-H290 PolarHBondContact O-N 2.8Å; S286-H290 PolarHBondContact O-ND1 3.36Å |
| 287 | C | 93.3 | Very high | 85.7 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.9 | -45.1 | 170.3 | -57.7 | 0 | 0 | 0 | 0 | 113.1 | L222 W241 I247 L283 R285 D289 H291 | L222-C287 WeakPolarHBondContact CD2-SG 3.45Å; W241-C287 HydrophobicContact CH2-CB 4.18Å; W241-C287 HydrophobicContact CZ3-CB 4.38Å; I247-C287 HydrophobicContact CD1-CB 3.57Å; L283-C287 PolarHBondContact O-N 3.16Å; L283-C287 PolarHBondContact O-SG 3.31Å; R285-C287 PolarHBondContact O-N 2.67Å; R285-C287 VanDerWaalsContact O-N 3.17Å; C287-D289 VanDerWaalsContact C-N 3.35Å; C287-H291 WeakPolarHBondContact O-CB 3.39Å; C287-H291 PolarHBondContact O-N 3.12Å |
| 288 | V | 90.4 | Very high | 83.5 | Confident | 25 Ų | 25 | 43.7 Ų | 43.7 | 15% | 0.152 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.6 | -39.8 | 176.6 | 173.4 | 0 | 0 | 0 | 0 | 111 | W284 R285 S292 M341 | W284-V288 HydrophobicContact CZ2-CG2 4.12Å; W284-V288 WeakPolarHBondContact O-CG2 3.38Å; W284-V288 PolarHBondContact O-N 3.12Å; R285-V288 CarbonylContact O-C 3.52Å; R285-V288 WeakPolarHBondContact O-CA 3.34Å; R285-V288 WeakPolarHBondContact O-CB 3.27Å; R285-V288 PolarHBondContact O-N 2.95Å; V288-S292 VanDerWaalsContact O-CB 3.24Å; V288-S292 WeakPolarHBondContact O-CB 3.47Å; V288-S292 PolarHBondContact O-N 3.34Å; V288-S292 PolarHBondContact O-OG 3.03Å; V288-M341 HydrophobicContact CG1-SD 4.49Å |
| 289 | D | 90.4 | Very high | 81 | Confident | 63 Ų | 63 | 44.7 Ų | 44.7 | 34% | 0.337 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.2 | -53.6 | 178.4 | -56 | -23.9 | 0 | 0 | 0 | 110.6 | F96 R285 S286 C287 S292 F293 | F96-D289 HydrophobicContact CE1-CB 4.21Å; F96-D289 HydrophobicContact CZ-CB 4.12Å; R285-D289 PolarHBondContact O-N 2.85Å; S286-D289 PolarHBondContact O-N 2.89Å; C287-D289 VanDerWaalsContact C-N 3.35Å; D289-S292 PolarHBondContact O-N 3.38Å; D289-F293 WeakPolarHBondContact O-CB 3.28Å; D289-F293 PolarHBondContact O-N 3.34Å |
| 290 | H | 89.7 | Confident | 78.3 | Confident | 5 Ų | 5 | 47.2 Ų | 47.2 | 2% | 0.023 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.4 | -51.1 | 176.1 | -75.7 | 83.6 | 0 | 0 | 0 | 111.5 | R95 E206 W241 S286 S292 F293 F294 | R95-H290 PolarHBondContact NH1-CE1 3.1Å; E206-H290 IonicContact OE2-CE1 2.86Å; W241-H290 HydrophobicContact CH2-CB 4.1Å; W241-H290 HydrophobicContact CZ2-CB 3.51Å; S286-H290 PolarHBondContact O-N 2.8Å; S286-H290 PolarHBondContact O-ND1 3.36Å; H290-S292 VanDerWaalsContact C-N 3.27Å; H290-S292 PolarHBondContact O-N 3.27Å; H290-F293 PolarHBondContact O-N 2.88Å; H290-F294 HydrophobicContact CB-CD2 4.38Å; H290-F294 VanDerWaalsContact O-CD2 3.28Å; H290-F294 WeakPolarHBondContact O-CD2 3.47Å; H290-F294 PolarHBondContact O-N 3.15Å |
| 291 | H | 87.6 | Confident | 75.4 | Confident | 25 Ų | 25 | 58.3 Ų | 58.3 | 12% | 0.116 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -55.7 | -44.4 | -180 | 177 | -93.7 | 0 | 0 | 0 | 111.4 | W241 C287 S295 W343 | W241-H291 HydrophobicContact CD2-CB 4.18Å; W241-H291 HydrophobicContact CE3-CB 3.79Å; W241-H291 AromaticContact CE3-CD2 3.78Å; W241-H291 HydrophobicContact CZ3-CB 3.97Å; C287-H291 WeakPolarHBondContact O-CB 3.39Å; C287-H291 PolarHBondContact O-N 3.12Å; H291-S295 WeakPolarHBondContact O-CB 3.21Å; H291-S295 PolarHBondContact O-N 3.07Å; H291-S295 PolarHBondContact O-OG 2.95Å; H291-W343 AromaticContact CE1-CD2 3.83Å; H291-W343 AromaticContact CE1-CE2 3.48Å; H291-W343 VanDerWaalsContact CE1-CE2 3.48Å; H291-W343 AromaticContact CE1-CZ2 3.68Å; H291-W343 AromaticContact CE1-NE1 3.69Å; H291-W343 AromaticContact ND1-CE2 3.57Å; H291-W343 AromaticContact ND1-CH2 3.82Å; H291-W343 AromaticContact ND1-CZ2 3.31Å; H291-W343 VanDerWaalsContact ND1-CZ2 3.31Å; H291-W343 WeakPolarHBondContact ND1-CZ2 3.34Å; H291-W343 AromaticContact ND1-NE1 3.91Å |
| 292 | S | 87.1 | Confident | 72.3 | Confident | 48 Ų | 48 | 58.7 Ų | 58.7 | 34% | 0.336 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -67.5 | -44.4 | -179.7 | -56.2 | 0 | 0 | 0 | 0 | 111.9 | V288 D289 H290 S296 | V288-S292 VanDerWaalsContact O-CB 3.24Å; V288-S292 WeakPolarHBondContact O-CB 3.47Å; V288-S292 PolarHBondContact O-N 3.34Å; V288-S292 PolarHBondContact O-OG 3.03Å; D289-S292 PolarHBondContact O-N 3.38Å; H290-S292 VanDerWaalsContact C-N 3.27Å; H290-S292 PolarHBondContact O-N 3.27Å; S292-S296 VanDerWaalsContact O-CB 3.31Å; S292-S296 WeakPolarHBondContact O-CB 3.48Å; S292-S296 PolarHBondContact O-N 2.87Å; S292-S296 PolarHBondContact O-OG 3.17Å |
| 293 | F | 88.5 | Confident | 69.5 | Low | 49 Ų | 49 | 63.8 Ų | 63.8 | 22% | 0.215 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61.2 | -56.2 | 178.8 | -175.8 | -91.7 | 0 | 0 | 0 | 111.7 | Q45 L46 F96 I98 D289 H290 S295 S296 S297 | Q45-F293 HydrophobicContact CB-CE2 4.28Å; Q45-F293 HydrophobicContact CG-CE2 4Å; Q45-F293 HydrophobicContact CG-CZ 4.45Å; L46-F293 HydrophobicContact CD2-CE1 4.21Å; L46-F293 HydrophobicContact CD2-CZ 3.64Å; F96-F293 HydrophobicContact CB-CD1 3.72Å; F96-F293 HydrophobicContact CB-CE1 3.67Å; F96-F293 HydrophobicContact CB-CG 4.21Å; F96-F293 HydrophobicContact CB-CZ 4.1Å; F96-F293 HydrophobicContact CD1-CB 4.18Å; F96-F293 HydrophobicContact CD1-CD1 4.24Å; F96-F293 HydrophobicContact CD1-CG 4.13Å; F96-F293 HydrophobicContact CD2-CB 4.25Å; F96-F293 HydrophobicContact CD2-CD1 4.03Å; F96-F293 AromaticContact CD2-CD2 3.43Å; F96-F293 HydrophobicContact CD2-CD2 3.43Å; F96-F293 VanDerWaalsContact CD2-CD2 3.43Å; F96-F293 HydrophobicContact CD2-CE1 4.29Å; F96-F293 AromaticContact CD2-CE2 3.73Å; F96-F293 HydrophobicContact CD2-CE2 3.73Å; F96-F293 AromaticContact CD2-CG 3.62Å; F96-F293 HydrophobicContact CD2-CG 3.62Å; F96-F293 HydrophobicContact CD2-CZ 4.17Å; F96-F293 HydrophobicContact CE1-CB 4.07Å; F96-F293 HydrophobicContact CE1-CG 4.4Å; F96-F293 HydrophobicContact CE2-CB 4.13Å; F96-F293 AromaticContact CE2-CD2 3.65Å; F96-F293 HydrophobicContact CE2-CD2 3.65Å; F96-F293 HydrophobicContact CE2-CE2 4.29Å; F96-F293 AromaticContact CE2-CG 3.92Å; F96-F293 HydrophobicContact CE2-CG 3.92Å; F96-F293 HydrophobicContact CG-CB 4.26Å; F96-F293 AromaticContact CG-CD1 3.75Å; F96-F293 HydrophobicContact CG-CD1 3.75Å; F96-F293 HydrophobicContact CG-CD2 4.03Å; F96-F293 HydrophobicContact CG-CE1 4.11Å; F96-F293 HydrophobicContact CG-CE2 4.36Å; F96-F293 AromaticContact CG-CG 3.73Å; F96-F293 HydrophobicContact CG-CG 3.73Å; F96-F293 HydrophobicContact CG-CZ 4.42Å; F96-F293 HydrophobicContact CZ-CB 4.03Å; F96-F293 HydrophobicContact CZ-CD2 4.4Å; F96-F293 HydrophobicContact CZ-CG 4.29Å; I98-F293 HydrophobicContact CD1-CE1 4.11Å; D289-F293 WeakPolarHBondContact O-CB 3.28Å; D289-F293 PolarHBondContact O-N 3.34Å; H290-F293 PolarHBondContact O-N 2.88Å; F293-S295 PolarHBondContact O-N 2.64Å; F293-S296 PolarHBondContact O-N 2.81Å; F293-S297 PolarHBondContact O-N 2.82Å |
| 294 | F | 82.9 | Confident | 66.4 | Low | 26 Ų | 26 | 73 Ų | 73 | 11% | 0.114 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -74.8 | -24 | -175.6 | -68.3 | -71.7 | 0 | 0 | 0 | 113.4 | F96 F97 I98 S224 H290 | F96-F294 HydrophobicContact CB-CE2 4.08Å; F96-F294 HydrophobicContact CB-CZ 3.85Å; F96-F294 HydrophobicContact CD1-CE2 4.06Å; F96-F294 HydrophobicContact CG-CE2 4.45Å; F97-F294 WeakPolarHBondContact O-CZ 3.49Å; I98-F294 HydrophobicContact CD1-CE1 3.99Å; S224-F294 VanDerWaalsContact CB-CE1 3.41Å; S224-F294 WeakPolarHBondContact O-CG 3.39Å; H290-F294 HydrophobicContact CB-CD2 4.38Å; H290-F294 VanDerWaalsContact O-CD2 3.28Å; H290-F294 WeakPolarHBondContact O-CD2 3.47Å; H290-F294 PolarHBondContact O-N 3.15Å |
| 295 | S | 75.1 | Confident | 63.1 | Low | 38 Ų | 38 | 81.1 Ų | 81.1 | 27% | 0.266 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -77.4 | -41 | 172.5 | -59.1 | 0 | 0 | 0 | 0 | 112.9 | H291 F293 S297 R298 | H291-S295 WeakPolarHBondContact O-CB 3.21Å; H291-S295 PolarHBondContact O-N 3.07Å; H291-S295 PolarHBondContact O-OG 2.95Å; F293-S295 PolarHBondContact O-N 2.64Å; S295-S297 VanDerWaalsContact C-N 3.26Å; S295-S297 PolarHBondContact O-N 2.87Å; S295-R298 WeakPolarHBondContact O-CB 3.49Å; S295-R298 PolarHBondContact O-N 2.97Å; S295-R298 VanDerWaalsContact O-N 3.07Å |
| 296 | S | 60.4 | Low | 60.1 | Low | 72 Ų | 72 | 85.4 Ų | 85.4 | 50% | 0.503 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64.5 | -33.1 | 179.5 | -57.9 | 0 | 0 | 0 | 0 | 112.2 | S292 F293 R298 T299 A300 | S292-S296 VanDerWaalsContact O-CB 3.31Å; S292-S296 WeakPolarHBondContact O-CB 3.48Å; S292-S296 PolarHBondContact O-N 2.87Å; S292-S296 PolarHBondContact O-OG 3.17Å; F293-S296 PolarHBondContact O-N 2.81Å; S296-R298 VanDerWaalsContact C-N 3.29Å; S296-R298 PolarHBondContact O-N 3Å; S296-T299 PolarHBondContact O-N 3.29Å; S296-T299 PolarHBondContact O-OG1 2.82Å; S296-A300 PolarHBondContact O-N 3.41Å |
| 297 | S | 49.1 | Very low | 57.1 | Low | 79 Ų | 79 | 92.8 Ų | 92.8 | 55% | 0.552 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -56.5 | -39.7 | 171.8 | -178.2 | 0 | 0 | 0 | 0 | 112.6 | F293 S295 T299 A300 | F293-S297 PolarHBondContact O-N 2.82Å; S295-S297 VanDerWaalsContact C-N 3.26Å; S295-S297 PolarHBondContact O-N 2.87Å; S297-T299 VanDerWaalsContact C-N 3.32Å; S297-T299 PolarHBondContact O-N 3.45Å; S297-A300 PolarHBondContact O-N 3.01Å |
| 298 | R | 41 | Very low | 54.1 | Low | 178 Ų | 178 | 96.6 Ų | 96.6 | 67% | 0.672 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.5 | -32.6 | 178.7 | -66.5 | 178.8 | 170.7 | -149.7 | -5.5 | 113 | S295 S296 | S295-R298 WeakPolarHBondContact O-CB 3.49Å; S295-R298 PolarHBondContact O-N 2.97Å; S295-R298 VanDerWaalsContact O-N 3.07Å; S296-R298 VanDerWaalsContact C-N 3.29Å; S296-R298 PolarHBondContact O-N 3Å |
| 299 | T | 35.3 | Very low | 51.6 | Low | 112 Ų | 112 | 100.3 Ų | 100.3 | 69% | 0.687 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -82.9 | -12.6 | -180 | 46.2 | 0 | 0 | 0 | 0 | 114.6 | S296 S297 R301 | S296-T299 PolarHBondContact O-N 3.29Å; S296-T299 PolarHBondContact O-OG1 2.82Å; S297-T299 VanDerWaalsContact C-N 3.32Å; S297-T299 PolarHBondContact O-N 3.45Å; T299-R301 VanDerWaalsContact C-N 3.3Å; T299-R301 PolarHBondContact O-N 2.9Å |
| 300 | A | 32.3 | Very low | 49 | Very low | 74 Ų | 74 | 102.6 Ų | 102.6 | 61% | 0.612 | 55% | 0.55 | S | S | * | * | trans | -81.1 | 2.8 | -170.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | S296 S297 S302 | S296-A300 PolarHBondContact O-N 3.41Å; S297-A300 PolarHBondContact O-N 3.01Å; A300-S302 PolarHBondContact O-N 2.84Å | ||
| 301 | R | 30.3 | Very low | 46.1 | Very low | 232 Ų | 232 | 110.4 Ų | 110.4 | 88% | 0.875 | 58% | 0.584 | S | S | * | * | trans | -78.6 | 43.4 | -176.4 | -68.2 | -171.4 | 172.5 | -168.1 | -2.7 | 114.2 | T299 | T299-R301 VanDerWaalsContact C-N 3.3Å; T299-R301 PolarHBondContact O-N 2.9Å | ||
| 302 | S | 24.6 | Very low | 43.5 | Very low | 90 Ų | 90 | 111 Ų | 111 | 63% | 0.629 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -138.1 | 99.8 | 171.9 | 54.7 | 0 | 0 | 0 | 0 | 111.2 | A300 K304 | A300-S302 PolarHBondContact O-N 2.84Å; S302-K304 PolarHBondContact O-N 2.99Å |
| 303 | P | 29.9 | Very low | 40.9 | Very low | 127 Ų | 127 | 116.1 Ų | 116.1 | 83% | 0.825 | 61% | 0.61 | S | S | * | * | trans | -80.7 | 92.5 | -170.7 | 30.7 | -34.5 | 0 | 0 | 0 | 112.4 | ||||
| 304 | K | 28.1 | Very low | 38.3 | Very low | 192 Ų | 192 | 121 Ų | 121 | 84% | 0.835 | 63% | 0.631 | S | S | * | * | trans | -174.3 | 88.1 | 159.7 | -103.9 | 151.8 | -173.1 | 173.9 | 0 | 113.1 | S302 | S302-K304 PolarHBondContact O-N 2.99Š| ||
| 305 | Y | 26.3 | Very low | 35.9 | Very low | 221 Ų | 221 | 126.7 Ų | 126.7 | 87% | 0.867 | 66% | 0.658 | S | S | * | * | 168.1 | 150.5 | 124.6 | -111 | -91.6 | 0 | 0 | 0 | 112.6 | |||||
| 306 | N | 26.7 | Very low | 34 | Very low | 134 Ų | 134 | 131.2 Ų | 131.2 | 72% | 0.717 | 68% | 0.679 | S | S | * | * | trans | -89.9 | 153.8 | -177.4 | -65.2 | -12.1 | 0 | 0 | 0 | 113.6 | S308 | N306-S308 VanDerWaalsContact C-N 3.34Å; N306-S308 PolarHBondContact O-N 2.81Å | ||
| 307 | N | 30.9 | Very low | 32.8 | Very low | 159 Ų | 159 | 131 Ų | 131 | 85% | 0.85 | 67% | 0.671 | S | S | * | * | S | Bend | trans | 54.9 | 23.9 | 147.8 | -63.6 | -3.7 | 0 | 0 | 0 | 119.5 | ||
| 308 | S | 28.4 | Very low | 32 | Very low | 80 Ų | 80 | 132.3 Ų | 132.3 | 56% | 0.559 | 68% | 0.676 | S | S | * | * | trans | -90.7 | -24.3 | 169.6 | 64.2 | 0 | 0 | 0 | 0 | 113.9 | N306 V310 K311 | N306-S308 VanDerWaalsContact C-N 3.34Å; N306-S308 PolarHBondContact O-N 2.81Å; S308-V310 VanDerWaalsContact C-N 3.26Å; S308-V310 PolarHBondContact O-N 2.92Å; S308-V310 VanDerWaalsContact O-N 3.08Å; S308-K311 WeakPolarHBondContact O-CB 3.37Å; S308-K311 PolarHBondContact O-N 3.17Å | ||
| 309 | T | 38.8 | Very low | 31.6 | Very low | 102 Ų | 102 | 131.2 Ų | 131.2 | 63% | 0.626 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -56.2 | -32.9 | -167.1 | -36.4 | 0 | 0 | 0 | 0 | 114.4 | K311 G312 | T309-K311 PolarHBondContact O-N 3.45Å; T309-G312 PolarHBondContact O-N 2.91Å |
| 310 | V | 35.2 | Very low | 31.8 | Very low | 111 Ų | 111 | 130.7 Ų | 130.7 | 67% | 0.673 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -66.9 | -21.5 | 178.7 | -176.7 | 0 | 0 | 0 | 0 | 112.6 | S308 | S308-V310 VanDerWaalsContact C-N 3.26Å; S308-V310 PolarHBondContact O-N 2.92Å; S308-V310 VanDerWaalsContact O-N 3.08Å |
| 311 | K | 28.8 | Very low | 31.7 | Very low | 169 Ų | 169 | 133.9 Ų | 133.9 | 74% | 0.735 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -76.6 | -33.1 | 173.3 | -72.2 | -173.5 | 175.3 | -179.3 | 0 | 112.9 | S308 T309 Y313 K314 Q315 | S308-K311 WeakPolarHBondContact O-CB 3.37Å; S308-K311 PolarHBondContact O-N 3.17Å; T309-K311 PolarHBondContact O-N 3.45Å; K311-Y313 PolarHBondContact O-N 3.45Å; K311-K314 PolarHBondContact O-N 3.03Å; K311-Q315 PolarHBondContact O-N 2.81Å |
| 312 | G | 32.7 | Very low | 31.7 | Very low | 38 Ų | 38 | 126.4 Ų | 126.4 | 39% | 0.392 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -60.7 | -45 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | T309 K314 Q315 L316 | T309-G312 PolarHBondContact O-N 2.91Å; G312-K314 VanDerWaalsContact C-N 3.32Å; G312-K314 PolarHBondContact O-N 2.92Å; G312-Q315 PolarHBondContact O-N 3.03Å; G312-L316 PolarHBondContact O-N 2.87Å |
| 313 | Y | 34.3 | Very low | 31.9 | Very low | 155 Ų | 155 | 130.1 Ų | 130.1 | 61% | 0.608 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -56.6 | -41.4 | 176.2 | -88.6 | -92.2 | 0 | 0 | 0 | 113.1 | K311 Q315 | K311-Y313 PolarHBondContact O-N 3.45Å; Y313-Q315 VanDerWaalsContact C-N 3.35Å; Y313-Q315 PolarHBondContact O-N 2.91Å |
| 314 | K | 32.4 | Very low | 31.6 | Very low | 153 Ų | 153 | 129 Ų | 129 | 67% | 0.665 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -64.9 | -37.7 | 179 | -70.8 | -168.4 | 173.6 | -173.4 | 0 | 112.5 | K311 G312 T318 | K311-K314 PolarHBondContact O-N 3.03Å; G312-K314 VanDerWaalsContact C-N 3.32Å; G312-K314 PolarHBondContact O-N 2.92Å; K314-T318 VanDerWaalsContact O-CB 3.3Å; K314-T318 WeakPolarHBondContact O-CB 3.2Å; K314-T318 PolarHBondContact O-N 3.37Å; K314-T318 VanDerWaalsContact O-N 3.16Å; K314-T318 PolarHBondContact O-OG1 2.68Å |
| 315 | Q | 33.8 | Very low | 31.6 | Very low | 145 Ų | 145 | 127.5 Ų | 127.5 | 68% | 0.678 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -79.5 | -35.9 | -173.5 | -158.9 | 158.1 | -5.6 | 0 | 0 | 112.8 | K311 G312 Y313 I317 | K311-Q315 PolarHBondContact O-N 2.81Å; G312-Q315 PolarHBondContact O-N 3.03Å; Y313-Q315 VanDerWaalsContact C-N 3.35Å; Y313-Q315 PolarHBondContact O-N 2.91Å; Q315-I317 VanDerWaalsContact C-N 3.33Å; Q315-I317 PolarHBondContact O-N 2.91Å |
| 316 | L | 35.1 | Very low | 31.6 | Very low | 133 Ų | 133 | 122.5 Ų | 122.5 | 70% | 0.696 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -62.8 | -34.7 | 175.9 | -87.1 | 159.9 | 0 | 0 | 0 | 113.6 | G312 | G312-L316 PolarHBondContact O-N 2.87Å |
| 317 | I | 34.7 | Very low | 31.7 | Very low | 66 Ų | 66 | 124.8 Ų | 124.8 | 34% | 0.338 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -99.7 | -27.6 | -172.6 | -65.8 | 171.5 | 0 | 0 | 0 | 112.7 | E74 Q315 Q319 H320 | E74-I317 HydrophobicContact CB-CD1 3.85Å; E74-I317 HydrophobicContact CG-CD1 3.48Å; E74-I317 VanDerWaalsContact CG-CD1 3.48Å; E74-I317 VanDerWaalsContact OE1-CD1 3.3Å; E74-I317 WeakPolarHBondContact OE1-CD1 3.47Å; Q315-I317 VanDerWaalsContact C-N 3.33Å; Q315-I317 PolarHBondContact O-N 2.91Å; I317-Q319 VanDerWaalsContact C-N 3.26Å; I317-Q319 PolarHBondContact O-N 3.07Å; I317-H320 WeakPolarHBondContact O-CB 3.39Å; I317-H320 PolarHBondContact O-N 2.82Å |
| 318 | T | 32.4 | Very low | 31.4 | Very low | 107 Ų | 107 | 123 Ų | 123 | 66% | 0.656 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -64.3 | -30.4 | 178.2 | -56.8 | 0 | 0 | 0 | 0 | 112.2 | K314 H320 | K314-T318 VanDerWaalsContact O-CB 3.3Å; K314-T318 WeakPolarHBondContact O-CB 3.2Å; K314-T318 PolarHBondContact O-N 3.37Å; K314-T318 VanDerWaalsContact O-N 3.16Å; K314-T318 PolarHBondContact O-OG1 2.68Å; T318-H320 PolarHBondContact O-N 3.04Å; T318-H320 VanDerWaalsContact O-N 3.11Å |
| 319 | Q | 32 | Very low | 31.4 | Very low | 156 Ų | 156 | 126 Ų | 126 | 73% | 0.729 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | 2.5 | 172.3 | -72.3 | -167 | -7 | 0 | 0 | 114.8 | I317 | I317-Q319 VanDerWaalsContact C-N 3.26Å; I317-Q319 PolarHBondContact O-N 3.07Å |
| 320 | H | 39.3 | Very low | 30.9 | Very low | 101 Ų | 101 | 130.5 Ų | 130.5 | 47% | 0.468 | 69% | 0.693 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -99 | 0.6 | -179.6 | -74.6 | 6.2 | 0 | 0 | 0 | 115.4 | I317 T318 R336 | I317-H320 WeakPolarHBondContact O-CB 3.39Å; I317-H320 PolarHBondContact O-N 2.82Å; T318-H320 PolarHBondContact O-N 3.04Å; T318-H320 VanDerWaalsContact O-N 3.11Å; H320-R336 PolarHBondContact CD2-NH2 3.12Å; H320-R336 PolarHBondContact CE1-NH1 2.77Å; H320-R336 PolarHBondContact ND1-NH1 3.08Å; H320-R336 PolarHBondContact NE2-NH1 2.98Å; H320-R336 PolarHBondContact NE2-NH2 2.65Å; H320-R336 VanDerWaalsContact NE2-NH2 3.11Å |
| 321 | L | 31.1 | Very low | 30.7 | Very low | 140 Ų | 140 | 127.8 Ų | 127.8 | 73% | 0.733 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -136.5 | 97.4 | 167.2 | -69.2 | 172.8 | 0 | 0 | 0 | 107.8 | L323 | L321-L323 PolarHBondContact O-N 3.27Š|
| 322 | G | 30.8 | Very low | 30.7 | Very low | 75 Ų | 75 | 125.9 Ų | 125.9 | 77% | 0.773 | 69% | 0.692 | S | S | * | * | trans | -69.8 | 128.2 | -159.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 323 | L | 28.1 | Very low | 30.5 | Very low | 168 Ų | 168 | 129 Ų | 129 | 88% | 0.88 | 70% | 0.703 | S | S | * | * | trans | -157.9 | 138.3 | 156 | -104.6 | 158.4 | 0 | 0 | 0 | 109.4 | L321 | L321-L323 PolarHBondContact O-N 3.27Š| ||
| 324 | S | 23.4 | Very low | 30.5 | Very low | 105 Ų | 105 | 124.4 Ų | 124.4 | 73% | 0.734 | 69% | 0.693 | S | S | * | * | trans | 51.3 | 104.9 | 169.3 | 60.6 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 325 | N | 27.7 | Very low | 30.3 | Very low | 160 Ų | 160 | 123.8 Ų | 123.8 | 86% | 0.856 | 69% | 0.693 | S | S | * | * | trans | 24.7 | 117.6 | 134.6 | -59.7 | -4.2 | 0 | 0 | 0 | 121.7 | ||||
| 326 | S | 27 | Very low | 30 | Very low | 116 Ų | 116 | 125.5 Ų | 125.5 | 81% | 0.811 | 69% | 0.693 | S | S | * | * | -175.3 | 153.9 | 113.9 | 30.5 | 0 | 0 | 0 | 0 | 112 | |||||
| 327 | K | 28 | Very low | 30 | Very low | 182 Ų | 182 | 122.8 Ų | 122.8 | 79% | 0.791 | 68% | 0.681 | S | S | * | * | trans | -91.2 | 160 | 160 | -46 | -179.8 | -178.6 | -177 | 0 | 107.1 | ||||
| 328 | T | 26 | Very low | 29.6 | Very low | 120 Ų | 120 | 127 Ų | 127 | 74% | 0.736 | 71% | 0.71 | S | S | * | * | cis | -147.4 | 172 | 26.5 | 68.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 329 | E | 27.5 | Very low | 29.4 | Very low | 144 Ų | 144 | 123.9 Ų | 123.9 | 67% | 0.673 | 70% | 0.699 | S | S | * | * | cis | -159.2 | -160.2 | -20.1 | -127.9 | 62 | -74.4 | 0 | 0 | 108.7 | ||||
| 330 | E | 29.3 | Very low | 29.2 | Very low | 197 Ų | 197 | 116.9 Ų | 116.9 | 92% | 0.921 | 67% | 0.669 | S | S | * | * | trans | 17.6 | 111.6 | 170 | -58.3 | -161.3 | 150.2 | 0 | 0 | 121.7 | ||||
| 331 | G | 29.6 | Very low | 29 | Very low | 54 Ų | 54 | 114.5 Ų | 114.5 | 56% | 0.557 | 66% | 0.659 | S | S | * | * | trans | -150.5 | 174.5 | 160.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | V333 | G331-V333 PolarHBondContact O-N 3.14Å; G331-V333 VanDerWaalsContact O-N 3.16Å | ||
| 332 | P | 29.3 | Very low | 29 | Very low | 129 Ų | 129 | 109.7 Ų | 109.7 | 84% | 0.838 | 64% | 0.635 | S | S | * | * | trans | -60.5 | 118.1 | -172.4 | 23.1 | -33.4 | 0 | 0 | 0 | 112.9 | C334 | P332-C334 PolarHBondContact O-N 2.99Š| ||
| 333 | V | 29.7 | Very low | 29.4 | Very low | 102 Ų | 102 | 108.6 Ų | 108.6 | 62% | 0.618 | 61% | 0.608 | S | S | * | * | trans | -76.8 | 95.3 | -165.1 | -175.3 | 0 | 0 | 0 | 0 | 112.3 | G331 | G331-V333 PolarHBondContact O-N 3.14Å; G331-V333 VanDerWaalsContact O-N 3.16Å | ||
| 334 | C | 32.6 | Very low | 29.8 | Very low | 60 Ų | 60 | 105.5 Ų | 105.5 | 41% | 0.405 | 59% | 0.592 | S | S | . | * | trans | -98.9 | 102.5 | 169.2 | -56.7 | 0 | 0 | 0 | 0 | 109.4 | P332 R336 M341 W343 | P332-C334 PolarHBondContact O-N 2.99Å; C334-R336 PolarHBondContact O-N 3.12Å; C334-M341 HydrophobicContact CB-CE 4.18Å; C334-W343 HydrophobicContact CB-CE3 4.49Å; C334-W343 HydrophobicContact CB-CZ3 4.47Å | ||
| 335 | Q | 29.6 | Very low | 30.3 | Very low | 140 Ų | 140 | 105.5 Ų | 105.5 | 65% | 0.654 | 59% | 0.589 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -82.6 | 122.9 | -174.2 | -158.1 | 172.5 | 16.2 | 0 | 0 | 111.6 | V342 | Q335-V342 PolarHBondContact O-N 3.28Å |
| 336 | R | 27.8 | Very low | 30.5 | Very low | 180 Ų | 180 | 103.4 Ų | 103.4 | 68% | 0.679 | 58% | 0.582 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -80 | 125.3 | 179.7 | -167.2 | -173 | -153.1 | 156.2 | 21.7 | 110.8 | H320 C334 | H320-R336 PolarHBondContact CD2-NH2 3.12Å; H320-R336 PolarHBondContact CE1-NH1 2.77Å; H320-R336 PolarHBondContact ND1-NH1 3.08Å; H320-R336 PolarHBondContact NE2-NH1 2.98Å; H320-R336 PolarHBondContact NE2-NH2 2.65Å; H320-R336 VanDerWaalsContact NE2-NH2 3.11Å; C334-R336 PolarHBondContact O-N 3.12Å |
| 337 | V | 33.2 | Very low | 30.4 | Very low | 76 Ų | 76 | 106.6 Ų | 106.6 | 46% | 0.461 | 59% | 0.589 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.9 | 149.8 | 171.2 | -172.2 | 0 | 0 | 0 | 0 | 108.7 | G339 G340 V342 | V337-G339 PolarHBondContact O-N 3.41Å; V337-G340 PolarHBondContact N-O 3.36Å; V337-G340 PolarHBondContact O-N 2.75Å; V337-G340 VanDerWaalsContact O-N 3.07Å; V337-V342 HydrophobicContact CG2-CG2 4.18Å |
| 338 | V | 27.3 | Very low | 30.3 | Very low | 155 Ų | 155 | 106.8 Ų | 106.8 | 94% | 0.939 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | 105.7 | -179.6 | -178.3 | 0 | 0 | 0 | 0 | 109.9 | ||
| 339 | G | 28.7 | Very low | 30.3 | Very low | 41 Ų | 41 | 113 Ų | 113 | 42% | 0.423 | 60% | 0.603 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 97.9 | 3.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | S248 Y249 V337 | S248-G339 WeakPolarHBondContact CA-O 3.25Å; S248-G339 WeakPolarHBondContact CB-O 3.5Å; Y249-G339 PolarHBondContact N-O 2.99Å; V337-G339 PolarHBondContact O-N 3.41Å |
| 340 | G | 26.4 | Very low | 30 | Very low | 9 Ų | 9 | 111.4 Ų | 111.4 | 9% | 0.093 | 61% | 0.607 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -164.4 | 169.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | V337 | V337-G340 PolarHBondContact N-O 3.36Å; V337-G340 PolarHBondContact O-N 2.75Å; V337-G340 VanDerWaalsContact O-N 3.07Å |
| 341 | M | 35 | Very low | 29.9 | Very low | 52 Ų | 52 | 110.4 Ų | 110.4 | 26% | 0.256 | 61% | 0.606 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -129.6 | 124.7 | -175.4 | -169.9 | 165.4 | -174.5 | 0 | 0 | 110 | K246 I247 V288 C334 W343 | K246-M341 WeakPolarHBondContact CA-O 3.42Å; K246-M341 VanDerWaalsContact CB-O 3.23Å; K246-M341 WeakPolarHBondContact CB-O 3.47Å; K246-M341 VanDerWaalsContact CG-O 3.24Å; K246-M341 WeakPolarHBondContact CG-O 3.44Å; I247-M341 PolarHBondContact O-N 3.25Å; V288-M341 HydrophobicContact CG1-SD 4.49Å; C334-M341 HydrophobicContact CB-CE 4.18Å; M341-W343 HydrophobicContact CE-CE3 4.44Å; M341-W343 HydrophobicContact CE-CH2 3.41Å; M341-W343 VanDerWaalsContact CE-CH2 3.41Å; M341-W343 HydrophobicContact CE-CZ2 4.14Å; M341-W343 HydrophobicContact CE-CZ3 3.59Å; M341-W343 HydrophobicContact CG-CZ2 4.48Å; M341-W343 HydrophobicContact SD-CH2 3.93Å; M341-W343 HydrophobicContact SD-CZ2 4.07Å |
| 342 | V | 31.7 | Very low | 29.6 | Very low | 39 Ų | 39 | 113.4 Ų | 113.4 | 24% | 0.236 | 62% | 0.619 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.1 | 125.6 | -179.6 | -177.1 | 0 | 0 | 0 | 0 | 109.5 | K246 Q335 V337 | K246-V342 HydrophobicContact CD-CG2 4.05Å; Q335-V342 PolarHBondContact O-N 3.28Å; V337-V342 HydrophobicContact CG2-CG2 4.18Å |
| 343 | W | 40.3 | Very low | 29.6 | Very low | 52 Ų | 52 | 112.6 Ų | 112.6 | 20% | 0.197 | 62% | 0.616 | C | S | . | * | trans | -93.9 | 125 | 168.2 | -51.7 | 118.7 | 0 | 0 | 0 | 109.4 | I245 H291 C334 M341 | I245-W343 WeakPolarHBondContact O-CB 3.49Å; I245-W343 PolarHBondContact O-N 3.14Å; H291-W343 AromaticContact CE1-CD2 3.83Å; H291-W343 AromaticContact CE1-CE2 3.48Å; H291-W343 VanDerWaalsContact CE1-CE2 3.48Å; H291-W343 AromaticContact CE1-CZ2 3.68Å; H291-W343 AromaticContact CE1-NE1 3.69Å; H291-W343 AromaticContact ND1-CE2 3.57Å; H291-W343 AromaticContact ND1-CH2 3.82Å; H291-W343 AromaticContact ND1-CZ2 3.31Å; H291-W343 VanDerWaalsContact ND1-CZ2 3.31Å; H291-W343 WeakPolarHBondContact ND1-CZ2 3.34Å; H291-W343 AromaticContact ND1-NE1 3.91Å; C334-W343 HydrophobicContact CB-CE3 4.49Å; C334-W343 HydrophobicContact CB-CZ3 4.47Å; M341-W343 HydrophobicContact CE-CE3 4.44Å; M341-W343 HydrophobicContact CE-CH2 3.41Å; M341-W343 VanDerWaalsContact CE-CH2 3.41Å; M341-W343 HydrophobicContact CE-CZ2 4.14Å; M341-W343 HydrophobicContact CE-CZ3 3.59Å; M341-W343 HydrophobicContact CG-CZ2 4.48Å; M341-W343 HydrophobicContact SD-CH2 3.93Å; M341-W343 HydrophobicContact SD-CZ2 4.07Å | ||
| 344 | N | 35.2 | Very low | 29.3 | Very low | 103 Ų | 103 | 117 Ų | 117 | 55% | 0.551 | 63% | 0.63 | S | S | * | * | trans | -105.8 | 121.3 | -171.5 | -155.8 | 10.3 | 0 | 0 | 0 | 111.5 | ||||
| 345 | P | 34.1 | Very low | 29 | Very low | 105 Ų | 105 | 123 Ų | 123 | 68% | 0.682 | 65% | 0.652 | S | S | * | * | trans | -90.3 | 110.1 | -175.6 | 33.2 | -32.1 | 0 | 0 | 0 | 112.5 | ||||
| 346 | V | 31.2 | Very low | 28.7 | Very low | 115 Ų | 115 | 124.6 Ų | 124.6 | 70% | 0.697 | 66% | 0.664 | S | S | * | * | trans | -129.7 | 93.2 | 175.7 | -174 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 347 | L | 25.8 | Very low | 28.6 | Very low | 183 Ų | 183 | 122.4 Ų | 122.4 | 96% | 0.958 | 66% | 0.661 | S | S | * | * | trans | -145.3 | 48.1 | 151.6 | -85.7 | -171.9 | 0 | 0 | 0 | 110.5 | ||||
| 348 | Q | 26.7 | Very low | 28.1 | Very low | 186 Ų | 186 | 125.9 Ų | 125.9 | 87% | 0.869 | 68% | 0.683 | S | S | * | * | trans | -97.1 | 124.8 | 160.2 | -94.8 | -176.4 | -24.5 | 0 | 0 | 109.5 | ||||
| 349 | R | 24.6 | Very low | 28 | Very low | 252 Ų | 252 | 125.5 Ų | 125.5 | 95% | 0.951 | 67% | 0.669 | S | S | * | * | trans | -89.2 | 116.2 | 165.6 | -72.9 | 178.2 | 174.5 | 169.5 | -2.4 | 108.5 | ||||
| 350 | S | 22.5 | Very low | 27.9 | Very low | 109 Ų | 109 | 129.4 Ų | 129.4 | 76% | 0.762 | 69% | 0.69 | S | S | * | * | trans | -142.6 | 113 | 162.1 | 55.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 351 | I | 27.1 | Very low | 27.8 | Very low | 176 Ų | 176 | 136.6 Ų | 136.6 | 90% | 0.903 | 73% | 0.725 | S | S | * | * | trans | -102.1 | 99.7 | 177.3 | -56 | 170.7 | 0 | 0 | 0 | 108.3 | ||||
| 352 | S | 23.9 | Very low | 27.7 | Very low | 117 Ų | 117 | 139.2 Ų | 139.2 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | trans | -164.2 | 143.7 | 143.8 | 51.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 353 | S | 27.4 | Very low | 27.4 | Very low | 113 Ų | 113 | 143.3 Ų | 143.3 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | trans | -90.6 | 140.5 | 175.1 | 52.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 354 | E | 24 | Very low | 26.8 | Very low | 194 Ų | 194 | 151.2 Ų | 151.2 | 91% | 0.907 | 81% | 0.806 | S | S | * | * | trans | -152.3 | 140.6 | 133.7 | -121.5 | 165.2 | -155.1 | 0 | 0 | 111.3 | ||||
| 355 | H | 25.6 | Very low | 26.5 | Very low | 186 Ų | 186 | 151.4 Ų | 151.4 | 86% | 0.861 | 82% | 0.816 | S | S | * | * | trans | -101 | 131.7 | 174.9 | -99.8 | -38.5 | 0 | 0 | 0 | 108.7 | ||||
| 356 | L | 23.9 | Very low | 26.7 | Very low | 173 Ų | 173 | 151.9 Ų | 151.9 | 91% | 0.906 | 82% | 0.819 | S | S | * | * | trans | -125.7 | 143 | 151.7 | -77.2 | 176.7 | 0 | 0 | 0 | 109.8 | ||||
| 357 | E | 25.4 | Very low | 27.2 | Very low | 134 Ų | 134 | 151.6 Ų | 151.6 | 63% | 0.626 | 82% | 0.82 | S | S | * | * | trans | -79.9 | 162.2 | -171 | -51.5 | 176.5 | 124.5 | 0 | 0 | 112.4 | K359 | E357-K359 WeakPolarHBondContact OE1-CE 3.37Å; E357-K359 IonicContact OE1-NZ 3.79Å; E357-K359 PolarHBondContact OE1-NZ 2.9Å; E357-K359 VanDerWaalsContact OE2-CE 3.25Å; E357-K359 WeakPolarHBondContact OE2-CE 3.38Å; E357-K359 IonicContact OE2-NZ 2.66Å; E357-K359 PolarHBondContact OE2-NZ 2.76Å | ||
| 358 | T | 24.3 | Very low | 27.2 | Very low | 150 Ų | 150 | 148.7 Ų | 148.7 | 92% | 0.92 | 82% | 0.815 | S | S | * | * | -147.5 | 136.1 | 121.5 | -8.7 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 359 | K | 24.2 | Very low | 27.2 | Very low | 146 Ų | 146 | 145.8 Ų | 145.8 | 64% | 0.635 | 81% | 0.809 | S | S | * | * | trans | -81.3 | 148.8 | -168 | -70.1 | 134 | 168.1 | 147.8 | 0 | 113.2 | E357 | E357-K359 WeakPolarHBondContact OE1-CE 3.37Å; E357-K359 IonicContact OE1-NZ 3.79Å; E357-K359 PolarHBondContact OE1-NZ 2.9Å; E357-K359 VanDerWaalsContact OE2-CE 3.25Å; E357-K359 WeakPolarHBondContact OE2-CE 3.38Å; E357-K359 IonicContact OE2-NZ 2.66Å; E357-K359 PolarHBondContact OE2-NZ 2.76Å | ||
| 360 | S | 26 | Very low | 27.7 | Very low | 124 Ų | 124 | 138.3 Ų | 138.3 | 87% | 0.867 | 79% | 0.794 | S | S | * | * | trans | -139.8 | 148.4 | 136 | 58.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 361 | L | 25.4 | Very low | 27.9 | Very low | 159 Ų | 159 | 138.9 Ų | 138.9 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | trans | -101.1 | 165.4 | -156 | -78.3 | 169.6 | 0 | 0 | 0 | 115 | ||||
| 362 | P | 31.4 | Very low | 27.7 | Very low | 108 Ų | 108 | 141.1 Ų | 141.1 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | trans | -102.6 | 160.4 | -159.6 | 38.9 | -36.9 | 0 | 0 | 0 | 116.2 | R364 | P362-R364 PolarHBondContact O-N 3.33Š| ||
| 363 | S | 26.6 | Very low | 27.7 | Very low | 125 Ų | 125 | 146.3 Ų | 146.3 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | trans | -91.2 | 75.5 | 167.3 | 61.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 364 | R | 28.2 | Very low | 27.5 | Very low | 217 Ų | 217 | 146.1 Ų | 146.1 | 82% | 0.819 | 79% | 0.786 | S | S | * | * | trans | 24.2 | 114.2 | 151.2 | -70.7 | -179.3 | 172.9 | -120.1 | -0.6 | 121.3 | P362 | P362-R364 PolarHBondContact O-N 3.33Š| ||
| 365 | S | 27.7 | Very low | 28.2 | Very low | 108 Ų | 108 | 141.8 Ų | 141.8 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | 86 | 157.3 | 114.4 | -59.4 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 366 | P | 38.2 | Very low | 28.1 | Very low | 115 Ų | 115 | 143.8 Ų | 143.8 | 75% | 0.747 | 77% | 0.774 | S | S | * | * | trans | -131.9 | -137.1 | -151.5 | 45 | -24.1 | 0 | 0 | 0 | 110.7 | ||||
| 367 | P | 42.4 | Very low | 28.3 | Very low | 109 Ų | 109 | 141.1 Ų | 141.1 | 71% | 0.708 | 77% | 0.765 | S | S | * | * | cis | -130.9 | 174.5 | -27.3 | 37.7 | -21.7 | 0 | 0 | 0 | 114.6 | ||||
| 368 | S | 25.6 | Very low | 28.3 | Very low | 122 Ų | 122 | 145.4 Ų | 145.4 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | trans | -147.4 | 157.9 | 144.9 | 60.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 369 | T | 26.7 | Very low | 28.3 | Very low | 124 Ų | 124 | 145.8 Ų | 145.8 | 76% | 0.761 | 77% | 0.767 | S | S | * | * | trans | -127 | -164 | -163.4 | 56.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 370 | P | 35.4 | Very low | 28.3 | Very low | 96 Ų | 96 | 146.1 Ų | 146.1 | 62% | 0.623 | 77% | 0.77 | S | S | * | * | -124.6 | -169.5 | -57.6 | 25.8 | -4.9 | 0 | 0 | 0 | 112.1 | |||||
| 371 | N | 26.3 | Very low | 28.3 | Very low | 121 Ų | 121 | 146.8 Ų | 146.8 | 65% | 0.647 | 76% | 0.763 | S | S | * | * | trans | 128.5 | 120.2 | 135.3 | -68.9 | -32.4 | 0 | 0 | 0 | 118.7 | ||||
| 372 | W | 23 | Very low | 28.2 | Very low | 222 Ų | 222 | 150.1 Ų | 150.1 | 84% | 0.841 | 76% | 0.764 | S | S | * | * | trans | 32 | 138.6 | 134.3 | -49.8 | 100.2 | 0 | 0 | 0 | 120.6 | ||||
| 373 | R | 24.6 | Very low | 28.1 | Very low | 226 Ų | 226 | 154.5 Ų | 154.5 | 85% | 0.853 | 77% | 0.772 | S | S | * | * | cis | -155.9 | 147.5 | 38.6 | -74.9 | -178.3 | -176.4 | -90.9 | -1.7 | 113.8 | ||||
| 374 | S | 22.4 | Very low | 28.5 | Very low | 110 Ų | 110 | 154.9 Ų | 154.9 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | trans | -90.9 | -171.6 | 152.4 | -42.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 375 | P | 38 | Very low | 28.5 | Very low | 102 Ų | 102 | 155.7 Ų | 155.7 | 66% | 0.662 | 78% | 0.775 | S | S | * | * | cis | -147.9 | -161.5 | 7.1 | 39.9 | -15.9 | 0 | 0 | 0 | 116.2 | ||||
| 376 | R | 25.1 | Very low | 28.8 | Very low | 228 Ų | 228 | 156.5 Ų | 156.5 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | trans | 82.9 | 141.5 | 156.9 | -69.4 | 166.1 | -175.2 | -163.3 | -0.7 | 117.7 | ||||
| 377 | V | 26.4 | Very low | 28.2 | Very low | 117 Ų | 117 | 156.2 Ų | 156.2 | 71% | 0.709 | 78% | 0.778 | S | S | * | * | cis | 124.9 | 109.2 | 2.8 | 159.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 378 | R | 25.4 | Very low | 27.5 | Very low | 225 Ų | 225 | 155.6 Ų | 155.6 | 85% | 0.849 | 78% | 0.777 | S | S | * | * | 173.1 | 140.9 | 127.1 | -96.5 | 146.9 | -178.5 | -156 | -2.1 | 108.2 | |||||
| 379 | H | 25.6 | Very low | 27.4 | Very low | 158 Ų | 158 | 155.2 Ų | 155.2 | 73% | 0.731 | 77% | 0.769 | S | S | * | * | 61.3 | 132.1 | 60.1 | -74.8 | 71.2 | 0 | 0 | 0 | 111.9 | |||||
| 380 | E | 23.3 | Very low | 27.3 | Very low | 153 Ų | 153 | 157.1 Ų | 157.1 | 72% | 0.715 | 77% | 0.769 | S | S | * | * | cis | -169.7 | -172.4 | 3.9 | -149.9 | -179 | -144.8 | 0 | 0 | 112.5 | ||||
| 381 | I | 26.2 | Very low | 26.8 | Very low | 138 Ų | 138 | 159 Ų | 159 | 71% | 0.708 | 77% | 0.773 | S | S | * | * | trans | 91.1 | 111.8 | 149.8 | -68.5 | 152.3 | 0 | 0 | 0 | 123 | ||||
| 382 | R | 24.1 | Very low | 26.6 | Very low | 228 Ų | 228 | 157.6 Ų | 157.6 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | trans | 17.1 | 129.8 | 141.5 | -57.1 | 176.8 | 174.4 | 179.7 | -2.5 | 124.9 | ||||
| 383 | K | 29.6 | Very low | 26.7 | Very low | 200 Ų | 200 | 153.3 Ų | 153.3 | 87% | 0.87 | 77% | 0.771 | S | S | * | * | 29.3 | 145.4 | 111 | -75.3 | -176 | -179.8 | -179.2 | 0 | 120.1 | |||||
| 384 | P | 33.3 | Very low | 26.7 | Very low | 133 Ų | 133 | 148.9 Ų | 148.9 | 86% | 0.864 | 77% | 0.765 | S | S | * | * | -149.2 | -158.2 | 58.3 | 43.5 | -22.5 | 0 | 0 | 0 | 118.2 | |||||
| 385 | R | 29.6 | Very low | 26.8 | Very low | 234 Ų | 234 | 150.3 Ų | 150.3 | 88% | 0.883 | 76% | 0.763 | S | S | * | * | trans | -113.6 | 164.8 | -174 | -136.7 | -177.4 | -162.8 | 175.3 | 2.7 | 109.9 | ||||
| 386 | P | 33.8 | Very low | 26 | Very low | 125 Ų | 125 | 153.2 Ų | 153.2 | 81% | 0.812 | 77% | 0.765 | S | S | * | * | -151.7 | -156.5 | 91.8 | 41 | -20.6 | 0 | 0 | 0 | 115.7 | |||||
| 387 | S | 25.4 | Very low | 25.9 | Very low | 109 Ų | 109 | 146.9 Ų | 146.9 | 76% | 0.762 | 75% | 0.748 | S | S | * | * | trans | -91.9 | -173.2 | -171.5 | 49.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 388 | S | 27.3 | Very low | 25.7 | Very low | 97 Ų | 97 | 148.5 Ų | 148.5 | 68% | 0.678 | 75% | 0.75 | S | S | * | * | cis | -178.9 | 174.5 | 38.2 | 51.9 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 389 | V | 24.3 | Very low | 25.7 | Very low | 113 Ų | 113 | 142.3 Ų | 142.3 | 69% | 0.685 | 74% | 0.741 | S | S | * | * | trans | 75 | 108.5 | 151.4 | 160.4 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 390 | E | 24.5 | Very low | 25.7 | Very low | 164 Ų | 164 | 143.9 Ų | 143.9 | 77% | 0.766 | 75% | 0.749 | S | S | * | * | 88.6 | 163.7 | 84.2 | -76.7 | 171.4 | -170.7 | 0 | 0 | 113.3 | |||||
| 391 | L | 24.4 | Very low | 25.7 | Very low | 135 Ų | 135 | 140.2 Ų | 140.2 | 71% | 0.707 | 75% | 0.752 | S | S | * | * | cis | -163.6 | 158.9 | 22.1 | -141.2 | 160.1 | 0 | 0 | 0 | 111.5 | ||||
| 392 | S | 22.9 | Very low | 25.7 | Very low | 93 Ų | 93 | 142.7 Ų | 142.7 | 65% | 0.65 | 76% | 0.761 | S | S | * | * | trans | 63.2 | 154.3 | 153.7 | 46.1 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 393 | T | 23.8 | Very low | 25.7 | Very low | 131 Ų | 131 | 138 Ų | 138 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | cis | -174.5 | 167.3 | -6.8 | 29.6 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 394 | D | 24.7 | Very low | 25.4 | Very low | 133 Ų | 133 | 134.4 Ų | 134.4 | 71% | 0.711 | 75% | 0.747 | S | S | * | * | cis | -179.3 | 170.5 | -27.3 | -174.5 | 22.4 | 0 | 0 | 0 | 108.2 | ||||
| 395 | L | 24.2 | Very low | 24.9 | Very low | 140 Ų | 140 | 136.5 Ų | 136.5 | 73% | 0.733 | 74% | 0.743 | S | S | * | * | trans | 67.7 | 153.5 | 170 | -58.8 | 169.6 | 0 | 0 | 0 | 116.4 | ||||
| 396 | K | 22.5 | Very low | 24.6 | Very low | 163 Ų | 163 | 135.1 Ų | 135.1 | 71% | 0.709 | 74% | 0.739 | S | S | * | * | cis | -166.4 | 177.9 | -21.2 | -130.1 | -176.1 | -179.8 | -75.7 | 0 | 106.3 | ||||
| 397 | D | 22.6 | Very low | 24 | Very low | 95 Ų | 95 | 135.1 Ų | 135.1 | 51% | 0.508 | 74% | 0.737 | S | S | . | * | cis | -161.6 | 169.2 | -1 | -148.3 | 0.1 | 0 | 0 | 0 | 110.3 | ||||
| 398 | M | 22.2 | Very low | 23.9 | Very low | 152 Ų | 152 | 139.8 Ų | 139.8 | 75% | 0.749 | 74% | 0.74 | S | S | * | * | trans | 62 | 160.7 | 165.6 | -55.8 | -71.3 | 100 | 0 | 0 | 118.9 | ||||
| 399 | S | 24.9 | Very low | 23.7 | Very low | 94 Ų | 94 | 146.3 Ų | 146.3 | 66% | 0.657 | 75% | 0.75 | S | S | * | * | cis | -167.6 | 168.1 | -40.6 | -164.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 400 | E | 25.7 | Very low | 23.6 | Very low | 191 Ų | 191 | 145.5 Ų | 145.5 | 89% | 0.893 | 76% | 0.755 | S | S | * | * | trans | 77.1 | 126.8 | 167.4 | -59.1 | -175.5 | -173.5 | 0 | 0 | 118.7 | ||||
| 401 | G | 24 | Very low | 23.5 | Very low | 77 Ų | 77 | 143.1 Ų | 143.1 | 79% | 0.794 | 76% | 0.756 | S | S | * | * | cis | -164.4 | 162.3 | -2.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 402 | E | 24.9 | Very low | 23.4 | Very low | 189 Ų | 189 | 144 Ų | 144 | 88% | 0.883 | 77% | 0.767 | S | S | * | * | trans | -113.1 | -171.3 | -180 | -64.8 | -172.4 | 106.5 | 0 | 0 | 111.7 | ||||
| 403 | D | 24.6 | Very low | 23.4 | Very low | 131 Ų | 131 | 143 Ų | 143 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | trans | 76.3 | 97.6 | 156.4 | -73.2 | -15.7 | 0 | 0 | 0 | 122.5 | ||||
| 404 | V | 24.8 | Very low | 23.3 | Very low | 123 Ų | 123 | 142.7 Ų | 142.7 | 75% | 0.745 | 77% | 0.774 | S | S | * | * | -0.5 | 132.4 | 120 | -175.9 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 405 | F | 21.2 | Very low | 23.3 | Very low | 178 Ų | 178 | 142 Ų | 142 | 78% | 0.781 | 78% | 0.78 | S | S | * | * | trans | -136.6 | 129.8 | 152.4 | -101.5 | -81 | 0 | 0 | 0 | 114 | T407 | F405-T407 HydrophobicContact CD1-CG2 4.18Š| ||
| 406 | Y | 23.1 | Very low | 23.4 | Very low | 204 Ų | 204 | 144.2 Ų | 144.2 | 80% | 0.8 | 78% | 0.784 | S | S | * | * | trans | -109.1 | 145.1 | 150.4 | -99.3 | -89.9 | 0 | 0 | 0 | 107.2 | ||||
| 407 | T | 22.8 | Very low | 23.5 | Very low | 125 Ų | 125 | 143 Ų | 143 | 77% | 0.767 | 79% | 0.785 | S | S | * | * | trans | -134.6 | 161.1 | 161.8 | 39.6 | 0 | 0 | 0 | 0 | 111.1 | F405 | F405-T407 HydrophobicContact CD1-CG2 4.18Š| ||
| 408 | Y | 21.8 | Very low | 23.8 | Very low | 207 Ų | 207 | 143.6 Ų | 143.6 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | trans | -151.4 | 159.5 | -163.5 | -125.8 | -79.9 | 0 | 0 | 0 | 109.4 | ||||
| 409 | R | 22.9 | Very low | 24 | Very low | 235 Ų | 235 | 145.4 Ų | 145.4 | 89% | 0.887 | 80% | 0.803 | S | S | * | * | trans | 70.6 | 156.4 | 168.6 | -68.6 | -179.4 | 176.3 | 178.8 | -1.4 | 115.8 | ||||
| 410 | A | 22.6 | Very low | 24.1 | Very low | 96 Ų | 96 | 144.6 Ų | 144.6 | 79% | 0.793 | 81% | 0.809 | S | S | * | * | cis | -150.9 | 176.6 | -5.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 411 | S | 23.1 | Very low | 24 | Very low | 114 Ų | 114 | 143.2 Ų | 143.2 | 80% | 0.797 | 81% | 0.808 | S | S | * | * | trans | -91.4 | 137.2 | -166.9 | 53.2 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 412 | V | 22 | Very low | 24 | Very low | 153 Ų | 153 | 143.2 Ų | 143.2 | 93% | 0.927 | 80% | 0.8 | S | S | * | * | trans | -145.5 | 145.5 | 153.4 | -178.4 | 0 | 0 | 0 | 0 | 106 | ||||
| 413 | G | 22.7 | Very low | 24 | Very low | 72 Ų | 72 | 139.3 Ų | 139.3 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | cis | -156.4 | -117.5 | 1.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 414 | S | 22.3 | Very low | 24.8 | Very low | 124 Ų | 124 | 137.7 Ų | 137.7 | 87% | 0.867 | 79% | 0.79 | S | S | * | * | trans | -155.7 | 137.9 | 178.8 | 152.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 415 | S | 24.2 | Very low | 24.8 | Very low | 119 Ų | 119 | 138.8 Ų | 138.8 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | trans | -149.2 | 148.6 | 158.2 | 57.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 416 | K | 27 | Very low | 24.9 | Very low | 187 Ų | 187 | 139 Ų | 139 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | trans | -95.2 | -178.9 | 175.7 | -84.2 | -173.8 | 170.8 | -174.1 | 0 | 111.4 | ||||
| 417 | D | 25 | Very low | 24.8 | Very low | 138 Ų | 138 | 138.3 Ų | 138.3 | 74% | 0.738 | 78% | 0.784 | S | S | * | * | trans | 109.4 | 118.5 | 157.4 | -54.3 | -24.4 | 0 | 0 | 0 | 112.5 | ||||
| 418 | S | 28.1 | Very low | 24.8 | Very low | 107 Ų | 107 | 137.7 Ų | 137.7 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | 74.1 | 127 | 55 | -57 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 419 | E | 27.1 | Very low | 24.9 | Very low | 190 Ų | 190 | 130.8 Ų | 130.8 | 89% | 0.888 | 78% | 0.777 | S | S | * | * | cis | -126.7 | 168.6 | 4.5 | -58.8 | -178.7 | 126.2 | 0 | 0 | 109.8 | ||||
| 420 | G | 25.6 | Very low | 25.8 | Very low | 76 Ų | 76 | 125 Ų | 125 | 78% | 0.784 | 77% | 0.77 | S | S | * | * | 79.6 | 146.1 | 86.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 421 | D | 23.8 | Very low | 26 | Very low | 163 Ų | 163 | 127.7 Ų | 127.7 | 87% | 0.872 | 77% | 0.771 | S | S | * | * | cis | -156.4 | -171.3 | -23.1 | -154.6 | 33.7 | 0 | 0 | 0 | 105.4 | ||||
| 422 | A | 24.1 | Very low | 26.2 | Very low | 76 Ų | 76 | 127.5 Ų | 127.5 | 63% | 0.628 | 77% | 0.769 | S | S | * | * | cis | -157.1 | 174 | 12.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 423 | S | 24.9 | Very low | 26.4 | Very low | 108 Ų | 108 | 129.4 Ų | 129.4 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | trans | -99.8 | -178.5 | 157 | -68.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 424 | P | 42.8 | Very low | 26.5 | Very low | 96 Ų | 96 | 129 Ų | 129 | 62% | 0.623 | 76% | 0.764 | S | S | * | * | cis | -148.9 | -168 | 14.4 | 45.1 | -24.3 | 0 | 0 | 0 | 117.4 | ||||
| 425 | H | 24.8 | Very low | 26.7 | Very low | 147 Ų | 147 | 129.6 Ų | 129.6 | 68% | 0.681 | 77% | 0.768 | S | S | * | * | trans | 74.1 | 156.4 | 151.7 | -68.2 | -5.2 | 0 | 0 | 0 | 118.4 | ||||
| 426 | R | 22.1 | Very low | 26.7 | Very low | 183 Ų | 183 | 127.2 Ų | 127.2 | 69% | 0.691 | 76% | 0.762 | S | S | * | * | cis | -169.6 | 139.2 | -17.7 | -110.4 | 176 | -171.4 | -151.1 | 2.9 | 109.8 | ||||
| 427 | F | 22.3 | Very low | 26.7 | Very low | 189 Ų | 189 | 128.2 Ų | 128.2 | 83% | 0.829 | 77% | 0.77 | S | S | * | * | trans | 57.5 | 171.2 | 163.2 | -62 | -66.5 | 0 | 0 | 0 | 115.8 | ||||
| 428 | S | 22.1 | Very low | 26.7 | Very low | 112 Ų | 112 | 125.2 Ų | 125.2 | 78% | 0.783 | 77% | 0.771 | S | S | * | * | cis | -146.1 | 172.2 | -5.5 | 50.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 429 | G | 23.3 | Very low | 26.6 | Very low | 61 Ų | 61 | 127.7 Ų | 127.7 | 63% | 0.629 | 78% | 0.775 | S | S | * | * | trans | -79.3 | -153.1 | 159.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 430 | P | 42.1 | Very low | 26.5 | Very low | 115 Ų | 115 | 125.8 Ų | 125.8 | 75% | 0.747 | 77% | 0.77 | S | S | * | * | cis | -147.8 | -168.4 | 11.7 | 45.2 | -25.1 | 0 | 0 | 0 | 117.4 | ||||
| 431 | N | 26.6 | Very low | 26.4 | Very low | 152 Ų | 152 | 130.8 Ų | 130.8 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | trans | 66.5 | 119.5 | 147.1 | -70.4 | -3.3 | 0 | 0 | 0 | 124.9 | ||||
| 432 | S | 27.2 | Very low | 26.4 | Very low | 110 Ų | 110 | 126.6 Ų | 126.6 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | -167.8 | 129.4 | 113.8 | 51.1 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 433 | Q | 26.4 | Very low | 26.4 | Very low | 192 Ų | 192 | 131.4 Ų | 131.4 | 90% | 0.897 | 77% | 0.771 | S | S | * | * | 54.2 | 128.4 | 75.4 | -70 | -172.1 | -17.8 | 0 | 0 | 114.6 | |||||
| 434 | G | 25.1 | Very low | 26.4 | Very low | 63 Ų | 63 | 133 Ų | 133 | 65% | 0.649 | 77% | 0.771 | S | S | * | * | cis | 167.7 | 175.4 | -5.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 435 | S | 26.4 | Very low | 25.5 | Very low | 138 Ų | 138 | 133 Ų | 133 | 97% | 0.965 | 77% | 0.773 | S | S | * | * | trans | 65.2 | 154.1 | 175.9 | 70.5 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 436 | G | 24.6 | Very low | 25.6 | Very low | 68 Ų | 68 | 132.9 Ų | 132.9 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | cis | 176.8 | 146.2 | -9.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 437 | E | 27.4 | Very low | 25.7 | Very low | 209 Ų | 209 | 127.3 Ų | 127.3 | 98% | 0.977 | 78% | 0.776 | S | S | * | * | trans | 35.9 | 135.3 | 155 | -56.1 | -174.1 | 138.8 | 0 | 0 | 122.8 | ||||
| 438 | G | 24.7 | Very low | 25.9 | Very low | 74 Ų | 74 | 126 Ų | 126 | 76% | 0.763 | 77% | 0.772 | S | S | * | * | trans | -170 | 149.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 439 | L | 24.5 | Very low | 26.1 | Very low | 160 Ų | 160 | 129.4 Ų | 129.4 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | trans | -152.1 | 131.6 | -161.9 | -159.6 | 72.7 | 0 | 0 | 0 | 115.7 | ||||
| 440 | L | 24.9 | Very low | 26.1 | Very low | 149 Ų | 149 | 133.6 Ų | 133.6 | 78% | 0.78 | 78% | 0.783 | S | S | * | * | trans | 32 | 130.5 | 150.6 | -62.1 | 169.3 | 0 | 0 | 0 | 123.2 | ||||
| 441 | Q | 23.7 | Very low | 25.1 | Very low | 181 Ų | 181 | 131.8 Ų | 131.8 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | 163.6 | 148.7 | 127.2 | -87.1 | 176.5 | -34 | 0 | 0 | 109.3 | |||||
| 442 | A | 25 | Very low | 25.2 | Very low | 76 Ų | 76 | 130.6 Ų | 130.6 | 63% | 0.628 | 77% | 0.774 | S | S | * | * | cis | 82.3 | 137.5 | 32.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 443 | E | 24 | Very low | 24.9 | Very low | 177 Ų | 177 | 133.9 Ų | 133.9 | 83% | 0.827 | 78% | 0.775 | S | S | * | * | cis | -156.6 | 177.2 | 7.8 | -96.1 | 139.1 | -121.7 | 0 | 0 | 108.2 | ||||
| 444 | D | 23.8 | Very low | 24.8 | Very low | 142 Ų | 142 | 133.9 Ų | 133.9 | 76% | 0.759 | 77% | 0.774 | S | S | * | * | -164.8 | 164.7 | -53.8 | -148 | 110.9 | 0 | 0 | 0 | 109.8 | |||||
| 445 | S | 24.7 | Very low | 24.8 | Very low | 96 Ų | 96 | 137.3 Ų | 137.3 | 67% | 0.671 | 78% | 0.778 | S | S | * | * | trans | -174.1 | 120.4 | 171.7 | -78.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 446 | I | 25.8 | Very low | 24.6 | Very low | 144 Ų | 144 | 138.6 Ų | 138.6 | 74% | 0.738 | 77% | 0.774 | S | S | * | * | 65.5 | 126.9 | 73.9 | -58.4 | 160.9 | 0 | 0 | 0 | 112.2 | E448 | I446-E448 WeakPolarHBondContact CG2-OE2 3.46Š| |||
| 447 | G | 25.3 | Very low | 24.7 | Very low | 66 Ų | 66 | 144.2 Ų | 144.2 | 68% | 0.68 | 78% | 0.779 | S | S | * | * | cis | 172.3 | 178.9 | 3.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 448 | E | 26.4 | Very low | 24.7 | Very low | 161 Ų | 161 | 141.9 Ų | 141.9 | 75% | 0.752 | 77% | 0.774 | S | S | * | * | cis | -163.5 | 159.4 | -9.9 | -91.9 | 134.9 | 141.9 | 0 | 0 | 109.6 | I446 | I446-E448 WeakPolarHBondContact CG2-OE2 3.46Š| ||
| 449 | E | 25.4 | Very low | 24.8 | Very low | 184 Ų | 184 | 143.2 Ų | 143.2 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | trans | 25.4 | 151.1 | 151.4 | -54.9 | -153.4 | 134.3 | 0 | 0 | 123.1 | ||||
| 450 | D | 23 | Very low | 24.9 | Very low | 148 Ų | 148 | 144.6 Ų | 144.6 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | -158.3 | 173.7 | 52.2 | -161 | -1.1 | 0 | 0 | 0 | 114.4 | |||||
| 451 | S | 22.6 | Very low | 25 | Very low | 77 Ų | 77 | 141 Ų | 141 | 54% | 0.538 | 78% | 0.783 | S | S | . | * | trans | -122.8 | 176.1 | -176.1 | 70.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 452 | P | 27.7 | Very low | 25.5 | Very low | 127 Ų | 127 | 138.3 Ų | 138.3 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | -148 | 160.9 | 109.5 | 36.6 | -20.8 | 0 | 0 | 0 | 115.8 | |||||
| 453 | F | 22.1 | Very low | 26.4 | Very low | 180 Ų | 180 | 135.7 Ų | 135.7 | 79% | 0.789 | 76% | 0.755 | S | S | * | * | trans | -82.4 | 148.5 | 176.5 | -74 | -104.4 | 0 | 0 | 0 | 113.6 | ||||
| 454 | H | 24.7 | Very low | 27.8 | Very low | 191 Ų | 191 | 132.7 Ų | 132.7 | 88% | 0.884 | 75% | 0.745 | S | S | * | * | -149.7 | 147.5 | 127.3 | -125.5 | -8.6 | 0 | 0 | 0 | 112.4 | |||||
| 455 | N | 23.4 | Very low | 29.2 | Very low | 135 Ų | 135 | 130.2 Ų | 130.2 | 72% | 0.722 | 73% | 0.731 | S | S | * | * | trans | -83.1 | 152.7 | -171.9 | -69.1 | -52.6 | 0 | 0 | 0 | 112.5 | ||||
| 456 | N | 22 | Very low | 30.8 | Very low | 166 Ų | 166 | 127.7 Ų | 127.7 | 89% | 0.888 | 71% | 0.709 | S | S | * | * | -144.4 | 151.1 | 127.8 | -121 | -24.7 | 0 | 0 | 0 | 111.5 | |||||
| 457 | K | 28.7 | Very low | 32.4 | Very low | 185 Ų | 185 | 125.7 Ų | 125.7 | 80% | 0.804 | 70% | 0.7 | S | S | * | * | trans | -87.4 | 136.2 | 179.6 | -64.3 | 173.4 | 178.5 | 175.2 | 0 | 109.9 | ||||
| 458 | D | 25.8 | Very low | 34.6 | Very low | 161 Ų | 161 | 122.6 Ų | 122.6 | 86% | 0.861 | 67% | 0.667 | S | S | * | * | 170.6 | 97.5 | 120.5 | -85.2 | -13.4 | 0 | 0 | 0 | 110.2 | |||||
| 459 | A | 26.5 | Very low | 36.9 | Very low | 102 Ų | 102 | 117.9 Ų | 117.9 | 84% | 0.843 | 65% | 0.652 | S | S | * | * | trans | -149.2 | 98.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | G461 | A459-G461 PolarHBondContact O-N 3.02Å; A459-G461 VanDerWaalsContact O-N 3.14Å | ||
| 460 | L | 26.8 | Very low | 39.7 | Very low | 189 Ų | 189 | 109.3 Ų | 109.3 | 99% | 0.99 | 61% | 0.611 | S | S | * | * | trans | -86.6 | 78.3 | 179.4 | -94.2 | 162.7 | 0 | 0 | 0 | 111.5 | ||||
| 461 | G | 27.5 | Very low | 42.6 | Very low | 72 Ų | 72 | 106.2 Ų | 106.2 | 74% | 0.742 | 60% | 0.598 | S | S | * | * | trans | 34 | 106.9 | 157.3 | 0 | 0 | 0 | 0 | 0 | 120.2 | A459 | A459-G461 PolarHBondContact O-N 3.02Å; A459-G461 VanDerWaalsContact O-N 3.14Å | ||
| 462 | D | 35.1 | Very low | 45.5 | Very low | 125 Ų | 125 | 104 Ų | 104 | 67% | 0.668 | 58% | 0.582 | S | S | * | * | trans | -90.1 | 162.7 | 144.1 | -158.1 | -8.2 | 0 | 0 | 0 | 109.4 | R552 | D462-R552 IonicContact OD1-CZ 3.84Å; D462-R552 IonicContact OD1-NE 2.76Å; D462-R552 PolarHBondContact OD1-NE 2.77Å; D462-R552 IonicContact OD1-NH2 3.12Å; D462-R552 PolarHBondContact OD1-NH2 2.7Å; D462-R552 IonicContact OD2-NH2 2.98Å; D462-R552 PolarHBondContact OD2-NH2 2.64Å | ||
| 463 | G | 43 | Very low | 48.1 | Very low | 22 Ų | 22 | 100.6 Ų | 100.6 | 23% | 0.227 | 56% | 0.557 | C | S | . | * | trans | -115.9 | 148.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L465 R552 | G463-L465 PolarHBondContact O-N 3.11Å; G463-R552 WeakPolarHBondContact O-CG 3.49Å; G463-R552 PolarHBondContact O-NE 3.07Å | ||
| 464 | D | 54.6 | Low | 50.6 | Low | 114 Ų | 114 | 101.9 Ų | 101.9 | 61% | 0.61 | 57% | 0.565 | S | S | * | * | trans | -56.5 | 125.1 | -169.5 | -60 | -45.2 | 0 | 0 | 0 | 113.1 | R552 R553 | D464-R552 WeakPolarHBondContact O-CA 3.47Å; D464-R553 PolarHBondContact O-N 3.35Å | ||
| 465 | L | 52.7 | Low | 52.9 | Low | 89 Ų | 89 | 99.5 Ų | 99.5 | 47% | 0.466 | 55% | 0.554 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.1 | 130.1 | 173.6 | -67.2 | 172.7 | 0 | 0 | 0 | 109.6 | G463 L517 I551 R552 | G463-L465 PolarHBondContact O-N 3.11Å; L465-L517 HydrophobicContact CD2-CD1 3.5Å; L465-I551 WeakPolarHBondContact CA-O 3.02Å; L465-R552 HydrophobicContact CD2-CB 3.85Å; L465-R552 HydrophobicContact CD2-CG 4.28Å |
| 466 | M | 57.8 | Low | 55.2 | Low | 44 Ų | 44 | 94.3 Ų | 94.3 | 22% | 0.217 | 53% | 0.532 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 140.4 | 177.8 | -73.1 | 175.4 | -75.1 | 0 | 0 | 110.7 | P508 I551 R553 | M466-P508 HydrophobicContact SD-CB 4.48Å; M466-P508 HydrophobicContact SD-CG 4.44Å; M466-I551 HydrophobicContact CB-CD1 4.36Å; M466-I551 HydrophobicContact CB-CG1 4.01Å; M466-I551 HydrophobicContact CE-CD1 4.2Å; M466-I551 PolarHBondContact N-O 2.88Å; M466-I551 VanDerWaalsContact O-CG1 3.25Å; M466-I551 WeakPolarHBondContact O-CG1 3.33Å; M466-I551 PolarHBondContact O-N 2.92Å; M466-R553 HydrophobicContact CE-CB 3.4Å; M466-R553 VanDerWaalsContact CE-CB 3.4Å; M466-R553 HydrophobicContact CE-CG 4.2Å |
| 467 | L | 60 | Low | 58.1 | Low | 102 Ų | 102 | 91.7 Ų | 91.7 | 53% | 0.534 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 127.1 | 170.2 | -173.5 | 65.7 | 0 | 0 | 0 | 108.8 | A548 L550 | L467-A548 HydrophobicContact CD1-CB 4.33Å; L467-L550 HydrophobicContact CB-CD1 4.23Å; L467-L550 HydrophobicContact CD1-CB 4.3Å; L467-L550 HydrophobicContact CD1-CD1 4.36Å |
| 468 | I | 71.9 | Confident | 60.9 | Low | 0 Ų | 0 | 83.6 Ų | 83.6 | 0% | 0 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 118.5 | 177.3 | -64.1 | 178.3 | 0 | 0 | 0 | 108.7 | I470 S506 P508 L510 A548 L549 I551 | I468-I470 HydrophobicContact CG2-CD1 4.07Å; I468-I470 HydrophobicContact CG2-CG1 3.79Å; I468-S506 WeakPolarHBondContact CG2-OG 3.32Å; I468-P508 HydrophobicContact CG1-CG 4.03Å; I468-L510 HydrophobicContact CD1-CB 4.25Å; I468-L510 HydrophobicContact CD1-CD1 3.74Å; I468-A548 WeakPolarHBondContact O-CA 3.11Å; I468-L549 PolarHBondContact N-O 3.32Å; I468-L549 PolarHBondContact O-N 2.97Å; I468-I551 HydrophobicContact CD1-CD1 3.53Å; I468-I551 HydrophobicContact CD1-CG1 4.11Å; I468-I551 HydrophobicContact CG1-CD1 4.37Å; I468-I551 HydrophobicContact CG1-CG1 4.48Å |
| 469 | C | 74.4 | Confident | 63.9 | Low | 63 Ų | 63 | 77.1 Ų | 77.1 | 43% | 0.426 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 133.8 | 174.1 | -66.2 | 0 | 0 | 0 | 0 | 110.3 | L547 | C469-L547 CarbonylContact C-O 3.52Å; C469-L547 WeakPolarHBondContact CA-O 3.24Å |
| 470 | I | 83.4 | Confident | 67.1 | Low | 3 Ų | 3 | 73.2 Ų | 73.2 | 2% | 0.015 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 116.1 | -174.3 | -43.7 | 177.7 | 0 | 0 | 0 | 109.2 | I468 F478 F480 P502 A503 L510 L547 L549 | I468-I470 HydrophobicContact CG2-CD1 4.07Å; I468-I470 HydrophobicContact CG2-CG1 3.79Å; I470-F478 HydrophobicContact CB-CD1 4.19Å; I470-F478 HydrophobicContact CG2-CB 4.34Å; I470-F478 HydrophobicContact CG2-CD1 3.97Å; I470-F478 WeakPolarHBondContact O-CE1 3.29Å; I470-F480 HydrophobicContact CD1-CD1 4.34Å; I470-F480 HydrophobicContact CD1-CE1 4.09Å; I470-P502 HydrophobicContact CG2-CB 3.76Å; I470-A503 HydrophobicContact CD1-CB 3.93Å; I470-A503 HydrophobicContact CG2-CB 4.36Å; I470-L510 HydrophobicContact CD1-CD2 4.11Å; I470-L547 PolarHBondContact N-O 2.87Å; I470-L547 PolarHBondContact O-N 3.41Å; I470-L549 HydrophobicContact CD1-CD1 4.06Å |
| 471 | T | 83.5 | Confident | 70.1 | Confident | 83 Ų | 83 | 68.8 Ų | 68.8 | 51% | 0.509 | 39% | 0.39 | S | S | . | . | trans | -81.6 | 138 | 168.7 | -49.3 | 0 | 0 | 0 | 0 | 108.9 | P502 | T471-P502 WeakPolarHBondContact O-CB 3.43Å; T471-P502 WeakPolarHBondContact O-CG 3.25Å | ||
| 472 | P | 83.7 | Confident | 73.1 | Confident | 30 Ų | 30 | 66.2 Ų | 66.2 | 20% | 0.195 | 36% | 0.36 | C | S | . | . | trans | -71.5 | 159.1 | 177.1 | 30.9 | -33.8 | 0 | 0 | 0 | 111.7 | K477 F478 R545 | P472-K477 WeakPolarHBondContact CA-O 3.24Å; P472-F478 HydrophobicContact CB-CD1 4.07Å; P472-F478 HydrophobicContact CB-CE1 3.78Å; P472-F478 HydrophobicContact CB-CZ 4.01Å; P472-F478 HydrophobicContact CG-CE1 4.06Å; P472-F478 HydrophobicContact CG-CZ 4.24Å; P472-R545 WeakPolarHBondContact CD-O 3.38Å | ||
| 473 | D | 82.7 | Confident | 75.5 | Confident | 56 Ų | 56 | 64.6 Ų | 64.6 | 30% | 0.299 | 35% | 0.347 | S | S | . | . | trans | -73.7 | 179.1 | 171.6 | 63.9 | 26.3 | 0 | 0 | 0 | 112.9 | E475 G476 K477 P502 | D473-E475 PolarHBondContact O-N 2.93Å; D473-E475 WeakPolarHBondContact OD1-CA 3.18Å; D473-E475 PolarHBondContact OD1-N 3.18Å; D473-G476 PolarHBondContact O-N 3.02Å; D473-G476 PolarHBondContact OD1-N 3.43Å; D473-K477 VanDerWaalsContact CG-O 3.27Å; D473-K477 PolarHBondContact N-O 2.92Å; D473-K477 WeakPolarHBondContact OD1-CB 3.45Å; D473-K477 PolarHBondContact OD1-N 2.85Å; D473-P502 HydrophobicContact CB-CG 3.89Å | ||
| 474 | H | 75.2 | Confident | 77.4 | Confident | 208 Ų | 208 | 63.6 Ų | 63.6 | 96% | 0.963 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -13.6 | 179.2 | -56.9 | -67.3 | 0 | 0 | 0 | 114.2 | ||
| 475 | E | 73.1 | Confident | 78 | Confident | 141 Ų | 141 | 58.4 Ų | 58.4 | 66% | 0.659 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100 | 6 | 174 | -60.1 | -174.2 | 172.8 | 0 | 0 | 112.7 | D473 K477 | D473-E475 PolarHBondContact O-N 2.93Å; D473-E475 WeakPolarHBondContact OD1-CA 3.18Å; D473-E475 PolarHBondContact OD1-N 3.18Å; E475-K477 HydrophobicContact CB-CD 4.11Å; E475-K477 HydrophobicContact CB-CG 4.38Å; E475-K477 WeakPolarHBondContact OE2-CE 3.4Å; E475-K477 IonicContact OE2-NZ 3.57Å; E475-K477 PolarHBondContact OE2-NZ 3.17Å |
| 476 | G | 71.9 | Confident | 78.5 | Confident | 25 Ų | 25 | 57 Ų | 57 | 26% | 0.258 | 31% | 0.306 | S | S | . | . | S | Bend | trans | 76.6 | 23.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | D473 | D473-G476 PolarHBondContact O-N 3.02Å; D473-G476 PolarHBondContact OD1-N 3.43Å |
| 477 | K | 81.8 | Confident | 79.2 | Confident | 112 Ų | 112 | 58.8 Ų | 58.8 | 49% | 0.487 | 32% | 0.316 | S | S | . | . | trans | -109.4 | 141.2 | -176 | -59.4 | 166.8 | -175.3 | 171.3 | 0 | 111.4 | P472 D473 E475 | P472-K477 WeakPolarHBondContact CA-O 3.24Å; D473-K477 VanDerWaalsContact CG-O 3.27Å; D473-K477 PolarHBondContact N-O 2.92Å; D473-K477 WeakPolarHBondContact OD1-CB 3.45Å; D473-K477 PolarHBondContact OD1-N 2.85Å; E475-K477 HydrophobicContact CB-CD 4.11Å; E475-K477 HydrophobicContact CB-CG 4.38Å; E475-K477 WeakPolarHBondContact OE2-CE 3.4Å; E475-K477 IonicContact OE2-NZ 3.57Å; E475-K477 PolarHBondContact OE2-NZ 3.17Å | ||
| 478 | F | 86.9 | Confident | 79.9 | Confident | 14 Ų | 14 | 58.1 Ų | 58.1 | 6% | 0.061 | 31% | 0.31 | C | S | . | . | trans | -91.9 | -23 | 176 | -57.9 | -81.4 | 0 | 0 | 0 | 113.1 | I470 P472 F480 A503 I536 R540 L547 | I470-F478 HydrophobicContact CB-CD1 4.19Å; I470-F478 HydrophobicContact CG2-CB 4.34Å; I470-F478 HydrophobicContact CG2-CD1 3.97Å; I470-F478 WeakPolarHBondContact O-CE1 3.29Å; P472-F478 HydrophobicContact CB-CD1 4.07Å; P472-F478 HydrophobicContact CB-CE1 3.78Å; P472-F478 HydrophobicContact CB-CZ 4.01Å; P472-F478 HydrophobicContact CG-CE1 4.06Å; P472-F478 HydrophobicContact CG-CZ 4.24Å; F478-F480 HydrophobicContact CB-CD1 3.84Å; F478-F480 HydrophobicContact CB-CE1 3.63Å; F478-F480 HydrophobicContact CG-CE1 4.42Å; F478-A503 WeakPolarHBondContact O-CB 3.22Å; F478-A503 PolarHBondContact O-N 3.37Å; F478-I536 HydrophobicContact CD2-CG2 4.1Å; F478-I536 HydrophobicContact CE2-CG2 4.44Å; F478-I536 VanDerWaalsContact CE2-O 3.3Å; F478-I536 WeakPolarHBondContact CE2-O 3.41Å; F478-R540 HydrophobicContact CZ-CB 4.46Å; F478-L547 HydrophobicContact CB-CD2 4.44Å; F478-L547 HydrophobicContact CD1-CB 3.87Å; F478-L547 HydrophobicContact CD1-CD2 4Å; F478-L547 HydrophobicContact CD2-CD2 4.15Å; F478-L547 HydrophobicContact CE1-CB 3.45Å; F478-L547 VanDerWaalsContact CE1-CB 3.45Å; F478-L547 HydrophobicContact CE1-CD2 4.27Å; F478-L547 HydrophobicContact CE2-CD2 4.43Å; F478-L547 HydrophobicContact CG-CD2 3.94Å; F478-L547 HydrophobicContact CZ-CB 3.83Å; F478-L547 HydrophobicContact CZ-CD2 4.49Å | ||
| 479 | G | 88.9 | Confident | 79.9 | Confident | 25 Ų | 25 | 66.3 Ų | 66.3 | 26% | 0.258 | 35% | 0.345 | S | S | . | . | trans | 89.9 | 10.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | K498 S501 | G479-K498 WeakPolarHBondContact O-CB 3.17Å; G479-K498 PolarHBondContact O-N 2.73Å; G479-S501 WeakPolarHBondContact CA-OG 3.37Å; G479-S501 PolarHBondContact O-OG 3.12Å | ||
| 480 | F | 93.6 | Very high | 79.8 | Confident | 21 Ų | 21 | 68.3 Ų | 68.3 | 9% | 0.092 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 160.3 | 174.7 | 73.4 | -80.1 | 0 | 0 | 0 | 111.4 | I470 F478 V482 I494 H496 V497 A503 L510 I536 L547 L549 | I470-F480 HydrophobicContact CD1-CD1 4.34Å; I470-F480 HydrophobicContact CD1-CE1 4.09Å; F478-F480 HydrophobicContact CB-CD1 3.84Å; F478-F480 HydrophobicContact CB-CE1 3.63Å; F478-F480 HydrophobicContact CG-CE1 4.42Å; F480-V482 HydrophobicContact CD2-CG1 4.11Å; F480-V482 HydrophobicContact CE2-CG1 3.61Å; F480-I494 HydrophobicContact CD2-CD1 3.75Å; F480-I494 HydrophobicContact CD2-CG2 4.45Å; F480-I494 HydrophobicContact CE2-CD1 3.75Å; F480-H496 CarbonylContact C-O 3.44Å; F480-H496 VanDerWaalsContact CA-O 3.28Å; F480-H496 WeakPolarHBondContact CA-O 3.45Å; F480-H496 WeakPolarHBondContact CB-O 3.21Å; F480-V497 HydrophobicContact CB-CG1 4.5Å; F480-V497 HydrophobicContact CB-CG2 4.18Å; F480-A503 HydrophobicContact CB-CB 3.94Å; F480-A503 HydrophobicContact CD1-CB 3.71Å; F480-A503 HydrophobicContact CG-CB 4.19Å; F480-L510 HydrophobicContact CB-CD2 3.91Å; F480-L510 HydrophobicContact CD1-CD2 4Å; F480-L510 HydrophobicContact CD2-CD2 3.83Å; F480-L510 HydrophobicContact CE2-CD2 4.34Å; F480-L510 HydrophobicContact CG-CD2 3.63Å; F480-I536 HydrophobicContact CE2-CD1 4.3Å; F480-I536 HydrophobicContact CZ-CD1 4.19Å; F480-I536 HydrophobicContact CZ-CG2 4.25Å; F480-L547 HydrophobicContact CE1-CD2 3.62Å; F480-L547 HydrophobicContact CZ-CD2 3.68Å; F480-L549 HydrophobicContact CE1-CD1 4.34Å; F480-L549 HydrophobicContact CE2-CD1 4.15Å; F480-L549 HydrophobicContact CZ-CD1 3.75Å |
| 481 | N | 89.6 | Confident | 79.2 | Confident | 95 Ų | 95 | 72.4 Ų | 72.4 | 51% | 0.508 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 155.6 | 173.6 | -66.1 | -27.1 | 0 | 0 | 0 | 110.5 | S495 H496 | N481-S495 WeakPolarHBondContact CB-OG 3.2Å; N481-S495 PolarHBondContact O-N 3.38Å; N481-S495 PolarHBondContact O-OG 3.39Å; N481-H496 HydrophobicContact CB-CB 4.29Å; N481-H496 PolarHBondContact N-O 2.85Å |
| 482 | V | 90.9 | Very high | 79.3 | Confident | 18 Ų | 18 | 69 Ų | 69 | 11% | 0.109 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 163.1 | 172.3 | -64.7 | 0 | 0 | 0 | 0 | 111.5 | F480 L492 S493 I494 S495 V532 V533 I536 | F480-V482 HydrophobicContact CD2-CG1 4.11Å; F480-V482 HydrophobicContact CE2-CG1 3.61Å; V482-L492 HydrophobicContact CB-CD1 4.04Å; V482-L492 HydrophobicContact CG2-CD1 4.33Å; V482-S493 CarbonylContact C-O 3.25Å; V482-S493 WeakPolarHBondContact CA-O 3.27Å; V482-I494 HydrophobicContact CG1-CD1 4.21Å; V482-S495 VanDerWaalsContact C-OG 3.23Å; V482-S495 PolarHBondContact N-OG 3.27Å; V482-S495 PolarHBondContact O-OG 3.19Å; V482-S495 VanDerWaalsContact O-OG 3.09Å; V482-V532 HydrophobicContact CG2-CG1 4.44Å; V482-V533 HydrophobicContact CG2-CG2 3.83Å; V482-I536 HydrophobicContact CG1-CD1 3.86Å; V482-I536 HydrophobicContact CG2-CD1 4.26Å |
| 483 | K | 85.9 | Confident | 79.6 | Confident | 91 Ų | 91 | 68.1 Ų | 68.1 | 40% | 0.396 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 151.4 | 170.4 | 64.8 | -168.4 | 165.9 | -166.6 | 0 | 109.7 | L492 S493 | K483-L492 WeakPolarHBondContact O-CA 3.46Å; K483-S493 WeakPolarHBondContact CE-OG 3.15Å; K483-S493 VanDerWaalsContact CG-OG 3.23Å; K483-S493 WeakPolarHBondContact CG-OG 3.38Å; K483-S493 PolarHBondContact N-O 3.33Å; K483-S493 PolarHBondContact O-N 2.9Å |
| 484 | G | 82.4 | Confident | 80.1 | Confident | 1 Ų | 1 | 65.5 Ų | 65.5 | 1% | 0.01 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 89.3 | 179.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q488 M490 L492 H529 | G484-Q488 VanDerWaalsContact CA-OE1 3.3Å; G484-M490 CarbonylContact C-O 3.6Å; G484-M490 WeakPolarHBondContact CA-O 3.4Å; G484-L492 WeakPolarHBondContact O-CD1 3.39Å; G484-H529 WeakPolarHBondContact O-CB 3.43Å; G484-H529 PolarHBondContact O-ND1 3.26Å |
| 485 | G | 68.6 | Low | 80.8 | Confident | 5 Ų | 5 | 57.2 Ų | 57.2 | 5% | 0.052 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 139.4 | 156.2 | -162.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | D487 Q488 K489 M490 | G485-D487 VanDerWaalsContact C-OD1 3.32Å; G485-D487 PolarHBondContact O-N 2.8Å; G485-Q488 PolarHBondContact O-N 2.88Å; G485-K489 PolarHBondContact O-N 3.17Å; G485-M490 PolarHBondContact N-O 3.46Å |
| 486 | V | 63.3 | Low | 81.6 | Confident | 61 Ų | 61 | 54.6 Ų | 54.6 | 37% | 0.37 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -62.5 | -31.2 | -174.5 | 75.2 | 0 | 0 | 0 | 0 | 113 | Q488 K489 H527 T528 | V486-Q488 VanDerWaalsContact C-N 3.34Å; V486-K489 PolarHBondContact O-N 3.35Å; V486-H527 PolarHBondContact N-O 3.35Å; V486-T528 HydrophobicContact CG1-CG2 3.97Å |
| 487 | D | 70.9 | Confident | 82.5 | Confident | 81 Ų | 81 | 54.2 Ų | 54.2 | 43% | 0.433 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -65.7 | -32.3 | 172.3 | 59.1 | -42.3 | 0 | 0 | 0 | 113.5 | G485 T528 H529 | G485-D487 VanDerWaalsContact C-OD1 3.32Å; G485-D487 PolarHBondContact O-N 2.8Å; D487-T528 HydrophobicContact CB-CG2 3.93Å; D487-T528 WeakPolarHBondContact OD1-CA 3.14Å; D487-T528 WeakPolarHBondContact OD1-CB 3.37Å; D487-H529 PolarHBondContact OD1-N 2.73Å |
| 488 | Q | 75 | Confident | 82.9 | Confident | 87 Ų | 87 | 54.4 Ų | 54.4 | 41% | 0.407 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -89.3 | -1 | 178.3 | -61.2 | -176.4 | 1.4 | 0 | 0 | 112.7 | G484 G485 V486 M490 H529 | G484-Q488 VanDerWaalsContact CA-OE1 3.3Å; G485-Q488 PolarHBondContact O-N 2.88Å; V486-Q488 VanDerWaalsContact C-N 3.34Å; Q488-M490 HydrophobicContact CB-CB 4.38Å; Q488-M490 WeakPolarHBondContact O-CG 3.11Å; Q488-M490 PolarHBondContact O-N 2.95Å; Q488-M490 VanDerWaalsContact O-N 3.12Å; Q488-H529 HydrophobicContact CG-CB 4.32Å; Q488-H529 VanDerWaalsContact NE2-CB 3.28Å |
| 489 | K | 72.6 | Confident | 82.5 | Confident | 172 Ų | 172 | 58.1 Ų | 58.1 | 75% | 0.748 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.1 | 32.1 | -173.3 | -60.6 | -166.8 | 176.6 | -168.1 | 0 | 113.5 | G485 V486 E614 | G485-K489 PolarHBondContact O-N 3.17Å; V486-K489 PolarHBondContact O-N 3.35Å; K489-E614 IonicContact NZ-OE2 2.87Å |
| 490 | M | 72.1 | Confident | 82.2 | Confident | 106 Ų | 106 | 62.6 Ų | 62.6 | 52% | 0.522 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 133.3 | -173.8 | -81 | -88 | -76.5 | 0 | 0 | 109.5 | G484 G485 Q488 | G484-M490 CarbonylContact C-O 3.6Å; G484-M490 WeakPolarHBondContact CA-O 3.4Å; G485-M490 PolarHBondContact N-O 3.46Å; Q488-M490 HydrophobicContact CB-CB 4.38Å; Q488-M490 WeakPolarHBondContact O-CG 3.11Å; Q488-M490 PolarHBondContact O-N 2.95Å; Q488-M490 VanDerWaalsContact O-N 3.12Å |
| 491 | P | 70.9 | Confident | 81.9 | Confident | 88 Ų | 88 | 61.9 Ų | 61.9 | 57% | 0.571 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 140.2 | 179.7 | 28 | -35 | 0 | 0 | 0 | 110.6 | S493 L515 | P491-S493 PolarHBondContact O-N 3.11Å; P491-L515 HydrophobicContact CB-CD2 4.33Å; P491-L515 HydrophobicContact CG-CD2 4.43Å |
| 492 | L | 84.7 | Confident | 81.7 | Confident | 11 Ų | 11 | 58.3 Ų | 58.3 | 6% | 0.058 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 123.3 | -176.2 | -173.2 | 69.8 | 0 | 0 | 0 | 110.4 | V482 K483 G484 V516 I519 I524 V532 | V482-L492 HydrophobicContact CB-CD1 4.04Å; V482-L492 HydrophobicContact CG2-CD1 4.33Å; K483-L492 WeakPolarHBondContact O-CA 3.46Å; G484-L492 WeakPolarHBondContact O-CD1 3.39Å; L492-V516 HydrophobicContact CD2-CB 3.76Å; L492-V516 HydrophobicContact CD2-CG1 3.83Å; L492-V516 HydrophobicContact CD2-CG2 4.47Å; L492-V516 HydrophobicContact CG-CB 4.09Å; L492-V516 PolarHBondContact O-N 3.23Å; L492-I519 HydrophobicContact CD2-CD1 4.34Å; L492-I524 HydrophobicContact CB-CD1 3.93Å; L492-I524 HydrophobicContact CD2-CB 4.45Å; L492-I524 HydrophobicContact CD2-CD1 3.53Å; L492-I524 HydrophobicContact CD2-CG1 3.67Å; L492-I524 HydrophobicContact CG-CD1 4.38Å; L492-V532 HydrophobicContact CD1-CB 4.47Å; L492-V532 HydrophobicContact CD1-CG1 3.75Å; L492-V532 HydrophobicContact CD1-CG2 4.48Å; L492-V532 HydrophobicContact CD2-CB 4.33Å; L492-V532 HydrophobicContact CD2-CG1 3.42Å; L492-V532 VanDerWaalsContact CD2-CG1 3.42Å; L492-V532 HydrophobicContact CD2-CG2 3.96Å; L492-V532 HydrophobicContact CG-CG1 4.24Å |
| 493 | S | 90.9 | Very high | 81.5 | Confident | 13 Ų | 13 | 57.4 Ų | 57.4 | 9% | 0.091 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 152.3 | -177.4 | 50.4 | 0 | 0 | 0 | 0 | 112.4 | V482 K483 P491 S495 D514 | V482-S493 CarbonylContact C-O 3.25Å; V482-S493 WeakPolarHBondContact CA-O 3.27Å; K483-S493 WeakPolarHBondContact CE-OG 3.15Å; K483-S493 VanDerWaalsContact CG-OG 3.23Å; K483-S493 WeakPolarHBondContact CG-OG 3.38Å; K483-S493 PolarHBondContact N-O 3.33Å; K483-S493 PolarHBondContact O-N 2.9Å; P491-S493 PolarHBondContact O-N 3.11Å; S493-S495 PolarHBondContact O-N 3.03Å; S493-D514 CarbonylContact C-O 3.52Å; S493-D514 VanDerWaalsContact CA-O 3.23Å; S493-D514 WeakPolarHBondContact CA-O 3.41Å |
| 494 | I | 92.9 | Very high | 81.3 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 126.1 | 171.2 | -52.9 | -53.2 | 0 | 0 | 0 | 108.6 | F480 V482 V497 L510 Q511 G513 D514 V516 | F480-I494 HydrophobicContact CD2-CD1 3.75Å; F480-I494 HydrophobicContact CD2-CG2 4.45Å; F480-I494 HydrophobicContact CE2-CD1 3.75Å; V482-I494 HydrophobicContact CG1-CD1 4.21Å; I494-V497 HydrophobicContact CG2-CG2 3.47Å; I494-V497 VanDerWaalsContact CG2-CG2 3.47Å; I494-L510 HydrophobicContact CD1-CD1 4.09Å; I494-L510 HydrophobicContact CD1-CD2 3.95Å; I494-L510 HydrophobicContact CD1-CG 4.29Å; I494-L510 HydrophobicContact CG1-CD1 3.88Å; I494-L510 HydrophobicContact CG1-CD2 4.17Å; I494-L510 HydrophobicContact CG1-CG 4.02Å; I494-L510 HydrophobicContact CG2-CD2 4.22Å; I494-L510 HydrophobicContact CG2-CG 4.33Å; I494-Q511 WeakPolarHBondContact CB-O 3.49Å; I494-Q511 WeakPolarHBondContact CG2-O 3.2Å; I494-G513 PolarHBondContact O-N 2.88Å; I494-D514 HydrophobicContact CB-CB 4.4Å; I494-D514 HydrophobicContact CG1-CB 3.82Å; I494-D514 PolarHBondContact N-O 3.17Å; I494-V516 HydrophobicContact CD1-CG2 3.55Å; I494-V516 HydrophobicContact CG1-CG2 4.23Å |
| 495 | S | 90.2 | Very high | 81.3 | Confident | 35 Ų | 35 | 61 Ų | 61 | 25% | 0.245 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | -25.2 | -173.5 | 63.2 | 0 | 0 | 0 | 0 | 114.3 | N481 V482 S493 | N481-S495 WeakPolarHBondContact CB-OG 3.2Å; N481-S495 PolarHBondContact O-N 3.38Å; N481-S495 PolarHBondContact O-OG 3.39Å; V482-S495 VanDerWaalsContact C-OG 3.23Å; V482-S495 PolarHBondContact N-OG 3.27Å; V482-S495 PolarHBondContact O-OG 3.19Å; V482-S495 VanDerWaalsContact O-OG 3.09Å; S493-S495 PolarHBondContact O-N 3.03Å |
| 496 | H | 89.6 | Confident | 81.8 | Confident | 86 Ų | 86 | 61.1 Ų | 61.1 | 40% | 0.398 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.1 | 145.3 | 171.3 | 175.2 | -97 | 0 | 0 | 0 | 110.4 | F480 N481 E512 | F480-H496 CarbonylContact C-O 3.44Å; F480-H496 VanDerWaalsContact CA-O 3.28Å; F480-H496 WeakPolarHBondContact CA-O 3.45Å; F480-H496 WeakPolarHBondContact CB-O 3.21Å; N481-H496 HydrophobicContact CB-CB 4.29Å; N481-H496 PolarHBondContact N-O 2.85Å; H496-E512 VanDerWaalsContact CA-OE1 3.25Å; H496-E512 WeakPolarHBondContact CA-OE1 3.49Å; H496-E512 IonicContact CD2-OE1 3.62Å; H496-E512 PolarHBondContact CD2-OE1 2.7Å; H496-E512 VanDerWaalsContact CD2-OE1 3.23Å; H496-E512 IonicContact CG-OE1 2.68Å |
| 497 | V | 90.6 | Very high | 81.8 | Confident | 17 Ų | 17 | 66.2 Ų | 66.2 | 10% | 0.103 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 120.9 | 173.3 | -173.5 | 0 | 0 | 0 | 0 | 110.6 | F480 I494 P499 A503 L510 E512 | F480-V497 HydrophobicContact CB-CG1 4.5Å; F480-V497 HydrophobicContact CB-CG2 4.18Å; I494-V497 HydrophobicContact CG2-CG2 3.47Å; I494-V497 VanDerWaalsContact CG2-CG2 3.47Å; V497-P499 WeakPolarHBondContact O-CD 3.16Å; V497-A503 HydrophobicContact CG1-CB 4.08Å; V497-L510 HydrophobicContact CG2-CB 4.49Å; V497-L510 HydrophobicContact CG2-CD2 4.24Å; V497-L510 HydrophobicContact CG2-CG 4.27Å; V497-E512 HydrophobicContact CG2-CG 4.3Å; V497-E512 PolarHBondContact N-OE1 2.75Å |
| 498 | K | 89.4 | Confident | 81.8 | Confident | 116 Ų | 116 | 65.1 Ų | 65.1 | 50% | 0.504 | 33% | 0.332 | S | S | . | . | trans | -74.7 | 124.2 | 176.1 | -177 | -177.1 | 178.2 | -171.6 | 0 | 110.1 | G479 D500 S501 | G479-K498 WeakPolarHBondContact O-CB 3.17Å; G479-K498 PolarHBondContact O-N 2.73Å; K498-D500 PolarHBondContact O-N 3.45Å; K498-S501 WeakPolarHBondContact O-CB 3.42Å; K498-S501 PolarHBondContact O-N 3.49Å; K498-S501 PolarHBondContact O-OG 3.11Å | ||
| 499 | P | 79.9 | Confident | 82 | Confident | 91 Ų | 91 | 68.3 Ų | 68.3 | 59% | 0.591 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -49.9 | -176.5 | -28.6 | 36.1 | 0 | 0 | 0 | 114.3 | V497 S501 G504 | V497-P499 WeakPolarHBondContact O-CD 3.16Å; P499-S501 PolarHBondContact O-N 2.99Å; P499-G504 WeakPolarHBondContact O-CA 3.29Å |
| 500 | D | 81.9 | Confident | 82.7 | Confident | 120 Ų | 120 | 60.5 Ų | 60.5 | 64% | 0.642 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | 24.3 | -176.5 | -47.7 | -70.1 | 0 | 0 | 0 | 114.3 | K498 R505 | K498-D500 PolarHBondContact O-N 3.45Å; D500-R505 PolarHBondContact O-NH1 3.07Å; D500-R505 PolarHBondContact O-NH2 3.17Å |
| 501 | S | 87.3 | Confident | 83.4 | Confident | 6 Ų | 6 | 60.1 Ų | 60.1 | 4% | 0.042 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -110.4 | 168.4 | -178.9 | 79.1 | 0 | 0 | 0 | 0 | 112.4 | G479 K498 P499 A503 G504 R505 | G479-S501 WeakPolarHBondContact CA-OG 3.37Å; G479-S501 PolarHBondContact O-OG 3.12Å; K498-S501 WeakPolarHBondContact O-CB 3.42Å; K498-S501 PolarHBondContact O-N 3.49Å; K498-S501 PolarHBondContact O-OG 3.11Å; P499-S501 PolarHBondContact O-N 2.99Å; S501-A503 VanDerWaalsContact C-N 3.28Å; S501-A503 PolarHBondContact O-N 2.78Å; S501-G504 PolarHBondContact O-N 3.28Å; S501-G504 PolarHBondContact OG-N 3.08Å; S501-R505 PolarHBondContact O-N 3.04Å |
| 502 | P | 85.7 | Confident | 84.3 | Confident | 19 Ų | 19 | 61.4 Ų | 61.4 | 12% | 0.123 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -37.9 | 177.1 | -24.4 | 34.3 | 0 | 0 | 0 | 113.9 | I470 T471 D473 G504 R505 S506 | I470-P502 HydrophobicContact CG2-CB 3.76Å; T471-P502 WeakPolarHBondContact O-CB 3.43Å; T471-P502 WeakPolarHBondContact O-CG 3.25Å; D473-P502 HydrophobicContact CB-CG 3.89Å; P502-G504 VanDerWaalsContact C-N 3.35Å; P502-R505 CarbonylContact O-C 3.52Å; P502-R505 PolarHBondContact O-N 2.95Å; P502-S506 PolarHBondContact O-N 3.37Å |
| 503 | A | 86.8 | Confident | 84.1 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -27.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | I470 F478 F480 V497 S501 S506 L510 | I470-A503 HydrophobicContact CD1-CB 3.93Å; I470-A503 HydrophobicContact CG2-CB 4.36Å; F478-A503 WeakPolarHBondContact O-CB 3.22Å; F478-A503 PolarHBondContact O-N 3.37Å; F480-A503 HydrophobicContact CB-CB 3.94Å; F480-A503 HydrophobicContact CD1-CB 3.71Å; F480-A503 HydrophobicContact CG-CB 4.19Å; V497-A503 HydrophobicContact CG1-CB 4.08Å; S501-A503 VanDerWaalsContact C-N 3.28Å; S501-A503 PolarHBondContact O-N 2.78Å; A503-S506 PolarHBondContact O-OG 3.46Å; A503-L510 HydrophobicContact CB-CD2 4.03Å |
| 504 | G | 81.8 | Confident | 83.9 | Confident | 13 Ų | 13 | 62.6 Ų | 62.6 | 13% | 0.134 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -21.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | P499 S501 P502 | P499-G504 WeakPolarHBondContact O-CA 3.29Å; S501-G504 PolarHBondContact O-N 3.28Å; S501-G504 PolarHBondContact OG-N 3.08Å; P502-G504 VanDerWaalsContact C-N 3.35Å |
| 505 | R | 81.8 | Confident | 83.1 | Confident | 153 Ų | 153 | 64.7 Ų | 64.7 | 58% | 0.577 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -104 | 4.9 | 177.6 | -70 | -169 | -68.5 | -91 | -8.5 | 114.5 | D500 S501 P502 | D500-R505 PolarHBondContact O-NH1 3.07Å; D500-R505 PolarHBondContact O-NH2 3.17Å; S501-R505 PolarHBondContact O-N 3.04Å; P502-R505 CarbonylContact O-C 3.52Å; P502-R505 PolarHBondContact O-N 2.95Å |
| 506 | S | 80 | Confident | 82.6 | Confident | 9 Ų | 9 | 63.3 Ų | 63.3 | 6% | 0.063 | 32% | 0.319 | C | S | . | . | trans | -67.7 | 149 | 176.2 | 70.7 | 0 | 0 | 0 | 0 | 110.6 | I468 P502 A503 P508 R509 L510 | I468-S506 WeakPolarHBondContact CG2-OG 3.32Å; P502-S506 PolarHBondContact O-N 3.37Å; A503-S506 PolarHBondContact O-OG 3.46Å; S506-P508 CarbonylContact C-O 3.48Å; S506-P508 CarbonylContact O-C 3.49Å; S506-P508 VanDerWaalsContact O-C 3.25Å; S506-P508 PolarHBondContact OG-O 3.09Å; S506-R509 WeakPolarHBondContact O-CA 3.28Å; S506-R509 WeakPolarHBondContact O-CG 3.24Å; S506-R509 PolarHBondContact O-N 2.97Å; S506-R509 VanDerWaalsContact O-N 3.15Å; S506-L510 PolarHBondContact OG-N 3.42Å | ||
| 507 | E | 62.6 | Low | 81.1 | Confident | 168 Ų | 168 | 61.5 Ų | 61.5 | 79% | 0.785 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -121.7 | 119.8 | 167.6 | -60.6 | -144.9 | 144.2 | 0 | 0 | 109.5 | ||
| 508 | P | 72.2 | Confident | 79.6 | Confident | 58 Ų | 58 | 63.1 Ų | 63.1 | 38% | 0.377 | 32% | 0.32 | S | S | . | . | S | Bend | cis | -65 | 152.1 | -5.5 | 24.4 | -27.6 | 0 | 0 | 0 | 113 | M466 I468 S506 | M466-P508 HydrophobicContact SD-CB 4.48Å; M466-P508 HydrophobicContact SD-CG 4.44Å; I468-P508 HydrophobicContact CG1-CG 4.03Å; S506-P508 CarbonylContact C-O 3.48Å; S506-P508 CarbonylContact O-C 3.49Å; S506-P508 VanDerWaalsContact O-C 3.25Å; S506-P508 PolarHBondContact OG-O 3.09Å |
| 509 | R | 78.1 | Confident | 78.6 | Confident | 153 Ų | 153 | 57.8 Ų | 57.8 | 58% | 0.577 | 30% | 0.297 | S | S | * | . | P | Polyproline II helix | trans | -70.2 | 135.8 | -177 | -68.6 | -177.2 | -168.8 | -163.2 | 3.7 | 111.6 | S506 R553 | S506-R509 WeakPolarHBondContact O-CA 3.28Å; S506-R509 WeakPolarHBondContact O-CG 3.24Å; S506-R509 PolarHBondContact O-N 2.97Å; S506-R509 VanDerWaalsContact O-N 3.15Å; R509-R553 PolarHBondContact O-NH2 2.69Å |
| 510 | L | 87.5 | Confident | 77.6 | Confident | 9 Ų | 9 | 56.7 Ų | 56.7 | 5% | 0.047 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -71.4 | 138.2 | 169.9 | -164.7 | 69.5 | 0 | 0 | 0 | 110.1 | I468 I470 F480 I494 V497 A503 S506 L549 I551 | I468-L510 HydrophobicContact CD1-CB 4.25Å; I468-L510 HydrophobicContact CD1-CD1 3.74Å; I470-L510 HydrophobicContact CD1-CD2 4.11Å; F480-L510 HydrophobicContact CB-CD2 3.91Å; F480-L510 HydrophobicContact CD1-CD2 4Å; F480-L510 HydrophobicContact CD2-CD2 3.83Å; F480-L510 HydrophobicContact CE2-CD2 4.34Å; F480-L510 HydrophobicContact CG-CD2 3.63Å; I494-L510 HydrophobicContact CD1-CD1 4.09Å; I494-L510 HydrophobicContact CD1-CD2 3.95Å; I494-L510 HydrophobicContact CD1-CG 4.29Å; I494-L510 HydrophobicContact CG1-CD1 3.88Å; I494-L510 HydrophobicContact CG1-CD2 4.17Å; I494-L510 HydrophobicContact CG1-CG 4.02Å; I494-L510 HydrophobicContact CG2-CD2 4.22Å; I494-L510 HydrophobicContact CG2-CG 4.33Å; V497-L510 HydrophobicContact CG2-CB 4.49Å; V497-L510 HydrophobicContact CG2-CD2 4.24Å; V497-L510 HydrophobicContact CG2-CG 4.27Å; A503-L510 HydrophobicContact CB-CD2 4.03Å; S506-L510 PolarHBondContact OG-N 3.42Å; L510-L549 HydrophobicContact CD1-CD1 4.25Å; L510-L549 HydrophobicContact CD2-CD1 4.38Å; L510-I551 HydrophobicContact CD1-CG2 4.33Å |
| 511 | Q | 87 | Confident | 75.6 | Confident | 97 Ų | 97 | 53.8 Ų | 53.8 | 45% | 0.453 | 29% | 0.285 | S | S | . | . | trans | -126.8 | 154.1 | -176.6 | -65.8 | -179.1 | 5.3 | 0 | 0 | 111.6 | I494 D514 R553 | I494-Q511 WeakPolarHBondContact CB-O 3.49Å; I494-Q511 WeakPolarHBondContact CG2-O 3.2Å; Q511-D514 WeakPolarHBondContact CA-OD2 3.39Å; Q511-D514 PolarHBondContact N-OD2 3.34Å; Q511-D514 WeakPolarHBondContact O-CB 3.44Å; Q511-D514 PolarHBondContact O-N 2.96Å; Q511-R553 VanDerWaalsContact CD-CZ 3.46Å | ||
| 512 | E | 89.8 | Confident | 73.7 | Confident | 116 Ų | 116 | 59.4 Ų | 59.4 | 54% | 0.542 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | 134.2 | 175.8 | -60.9 | -172.3 | 179.6 | 0 | 0 | 110.9 | H496 V497 D514 | H496-E512 VanDerWaalsContact CA-OE1 3.25Å; H496-E512 WeakPolarHBondContact CA-OE1 3.49Å; H496-E512 IonicContact CD2-OE1 3.62Å; H496-E512 PolarHBondContact CD2-OE1 2.7Å; H496-E512 VanDerWaalsContact CD2-OE1 3.23Å; H496-E512 IonicContact CG-OE1 2.68Å; V497-E512 HydrophobicContact CG2-CG 4.3Å; V497-E512 PolarHBondContact N-OE1 2.75Å; E512-D514 VanDerWaalsContact C-N 3.35Å |
| 513 | G | 80.8 | Confident | 72.2 | Confident | 44 Ų | 44 | 62.4 Ų | 62.4 | 45% | 0.454 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.2 | -4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | I494 L515 | I494-G513 PolarHBondContact O-N 2.88Å; G513-L515 PolarHBondContact O-N 3.44Å |
| 514 | D | 85.9 | Confident | 71.2 | Confident | 4 Ų | 4 | 62.8 Ų | 62.8 | 2% | 0.021 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -55.5 | 131.4 | 166 | -77.5 | -28.8 | 0 | 0 | 0 | 110.1 | S493 I494 Q511 E512 I551 R553 | S493-D514 CarbonylContact C-O 3.52Å; S493-D514 VanDerWaalsContact CA-O 3.23Å; S493-D514 WeakPolarHBondContact CA-O 3.41Å; I494-D514 HydrophobicContact CB-CB 4.4Å; I494-D514 HydrophobicContact CG1-CB 3.82Å; I494-D514 PolarHBondContact N-O 3.17Å; Q511-D514 WeakPolarHBondContact CA-OD2 3.39Å; Q511-D514 PolarHBondContact N-OD2 3.34Å; Q511-D514 WeakPolarHBondContact O-CB 3.44Å; Q511-D514 PolarHBondContact O-N 2.96Å; E512-D514 VanDerWaalsContact C-N 3.35Å; D514-I551 HydrophobicContact CB-CB 4.38Å; D514-I551 HydrophobicContact CB-CD1 3.94Å; D514-I551 HydrophobicContact CB-CG2 4.42Å; D514-I551 VanDerWaalsContact CG-CD1 3.41Å; D514-I551 VanDerWaalsContact OD2-CD1 3.29Å; D514-I551 WeakPolarHBondContact OD2-CD1 3.44Å; D514-R553 WeakPolarHBondContact OD1-CG 3.41Å; D514-R553 IonicContact OD1-CZ 3.51Å; D514-R553 IonicContact OD1-NE 3.23Å; D514-R553 PolarHBondContact OD1-NE 3.37Å; D514-R553 IonicContact OD1-NH2 3.39Å; D514-R553 PolarHBondContact OD1-NH2 2.84Å; D514-R553 IonicContact OD2-CZ 3.59Å; D514-R553 IonicContact OD2-NE 3.71Å; D514-R553 IonicContact OD2-NH2 2.71Å; D514-R553 PolarHBondContact OD2-NH2 3.2Å |
| 515 | L | 76.5 | Confident | 69.8 | Low | 44 Ų | 44 | 65.1 Ų | 65.1 | 23% | 0.23 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 120.5 | 175 | -64.9 | 176.1 | 0 | 0 | 0 | 108.8 | P491 G513 I551 R552 | P491-L515 HydrophobicContact CB-CD2 4.33Å; P491-L515 HydrophobicContact CG-CD2 4.43Å; G513-L515 PolarHBondContact O-N 3.44Å; L515-I551 CarbonylContact O-C 3.57Å; L515-I551 WeakPolarHBondContact O-CA 3.49Å; L515-I551 WeakPolarHBondContact O-CB 3.46Å; L515-R552 HydrophobicContact CB-CB 4.43Å; L515-R552 PolarHBondContact N-O 3.18Å; L515-R552 VanDerWaalsContact N-O 3.14Å; L515-R552 PolarHBondContact O-N 2.92Å |
| 516 | V | 78.9 | Confident | 68.4 | Low | 6 Ų | 6 | 64.7 Ų | 64.7 | 4% | 0.036 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 137.1 | 173.6 | -179.8 | 0 | 0 | 0 | 0 | 108.4 | L492 I494 I519 I524 L549 I551 | L492-V516 HydrophobicContact CD2-CB 3.76Å; L492-V516 HydrophobicContact CD2-CG1 3.83Å; L492-V516 HydrophobicContact CD2-CG2 4.47Å; L492-V516 HydrophobicContact CG-CB 4.09Å; L492-V516 PolarHBondContact O-N 3.23Å; I494-V516 HydrophobicContact CD1-CG2 3.55Å; I494-V516 HydrophobicContact CG1-CG2 4.23Å; V516-I519 HydrophobicContact CG1-CD1 4.21Å; V516-I519 HydrophobicContact CG1-CG1 3.84Å; V516-I524 HydrophobicContact CG1-CD1 4.35Å; V516-I524 HydrophobicContact CG1-CG1 4.15Å; V516-I524 WeakPolarHBondContact O-CD1 3.46Å; V516-L549 HydrophobicContact CG1-CD2 4.38Å; V516-I551 HydrophobicContact CG2-CG2 4.16Å |
| 517 | L | 58.3 | Low | 67.5 | Low | 49 Ų | 49 | 66.1 Ų | 66.1 | 26% | 0.257 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | -48.3 | 178.6 | -59.3 | 179 | 0 | 0 | 0 | 111.6 | L465 I524 L550 R552 | L465-L517 HydrophobicContact CD2-CD1 3.5Å; L517-I524 WeakPolarHBondContact O-CD1 3.42Å; L517-I524 WeakPolarHBondContact O-CG1 3.35Å; L517-I524 PolarHBondContact O-N 2.97Å; L517-I524 VanDerWaalsContact O-N 3.16Å; L517-L550 PolarHBondContact N-O 2.94Å; L517-R552 HydrophobicContact CD1-CB 4.06Å |
| 518 | L | 59.9 | Low | 68.2 | Low | 51 Ų | 51 | 59.8 Ų | 59.8 | 27% | 0.267 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 148.3 | 176.3 | -46.1 | 179.6 | 0 | 0 | 0 | 111.2 | R522 D523 L549 L550 | L518-R522 CarbonylContact C-O 3.59Å; L518-R522 VanDerWaalsContact CA-O 3.24Å; L518-R522 WeakPolarHBondContact CA-O 3.49Å; L518-D523 HydrophobicContact CD2-CB 3.81Å; L518-L549 WeakPolarHBondContact O-CA 3.39Å; L518-L550 HydrophobicContact CB-CB 3.76Å; L518-L550 HydrophobicContact CD1-CB 4.05Å; L518-L550 HydrophobicContact CD1-CD2 3.66Å; L518-L550 HydrophobicContact CD1-CG 4.49Å; L518-L550 HydrophobicContact CG-CB 3.86Å; L518-L550 HydrophobicContact CG-CD2 3.84Å; L518-L550 HydrophobicContact CG-CG 4.49Å; L518-L550 PolarHBondContact N-O 2.85Å; L518-L550 PolarHBondContact O-N 2.87Å |
| 519 | I | 66.8 | Low | 68.3 | Low | 4 Ų | 4 | 58.9 Ų | 58.9 | 2% | 0.021 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 117.1 | 168.2 | -56 | -171.2 | 0 | 0 | 0 | 108.4 | L492 V516 G521 R522 I524 V532 I536 L547 A548 L549 | L492-I519 HydrophobicContact CD2-CD1 4.34Å; V516-I519 HydrophobicContact CG1-CD1 4.21Å; V516-I519 HydrophobicContact CG1-CG1 3.84Å; I519-G521 PolarHBondContact O-N 3.39Å; I519-R522 PolarHBondContact N-O 2.9Å; I519-R522 VanDerWaalsContact O-CB 3.31Å; I519-R522 WeakPolarHBondContact O-CB 3.39Å; I519-R522 PolarHBondContact O-N 3.41Å; I519-I524 HydrophobicContact CB-CG2 4.11Å; I519-I524 HydrophobicContact CD1-CG1 4.35Å; I519-I524 HydrophobicContact CD1-CG2 4.01Å; I519-I524 HydrophobicContact CG1-CG1 4.09Å; I519-I524 HydrophobicContact CG1-CG2 3.84Å; I519-V532 HydrophobicContact CD1-CG1 3.9Å; I519-I536 HydrophobicContact CD1-CD1 4.1Å; I519-I536 HydrophobicContact CD1-CG1 3.81Å; I519-L547 HydrophobicContact CG2-CD1 3.64Å; I519-A548 CarbonylContact C-O 3.58Å; I519-A548 WeakPolarHBondContact CA-O 3.43Å; I519-L549 HydrophobicContact CB-CD2 4.4Å; I519-L549 HydrophobicContact CD1-CD2 4.2Å; I519-L549 HydrophobicContact CG1-CD2 3.82Å; I519-L549 HydrophobicContact CG2-CD2 4.19Å |
| 520 | N | 60.9 | Low | 68 | Low | 68 Ų | 68 | 57.3 Ų | 57.3 | 36% | 0.364 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.2 | 41.4 | -173.2 | -58.2 | -13.1 | 0 | 0 | 0 | 112.9 | R522 S539 A548 | N520-R522 PolarHBondContact O-N 2.87Å; N520-S539 PolarHBondContact ND2-OG 2.82Å; N520-A548 PolarHBondContact N-O 3.4Å; N520-A548 PolarHBondContact OD1-N 3.02Å; N520-A548 PolarHBondContact OD1-O 2.83Å |
| 521 | G | 40 | Very low | 66.4 | Low | 59 Ų | 59 | 60.4 Ų | 60.4 | 61% | 0.608 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.3 | 1.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | I519 | I519-G521 PolarHBondContact O-N 3.39Š|
| 522 | R | 45.9 | Very low | 65.8 | Low | 124 Ų | 124 | 55.8 Ų | 55.8 | 47% | 0.468 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 126.3 | 169.1 | 177.6 | -170.9 | -59.8 | -118 | -6.9 | 109.6 | L518 I519 N520 I524 Y535 | L518-R522 CarbonylContact C-O 3.59Å; L518-R522 VanDerWaalsContact CA-O 3.24Å; L518-R522 WeakPolarHBondContact CA-O 3.49Å; I519-R522 PolarHBondContact N-O 2.9Å; I519-R522 VanDerWaalsContact O-CB 3.31Å; I519-R522 WeakPolarHBondContact O-CB 3.39Å; I519-R522 PolarHBondContact O-N 3.41Å; N520-R522 PolarHBondContact O-N 2.87Å; R522-I524 PolarHBondContact O-N 2.78Å; R522-Y535 PolarHBondContact NH1-OH 3.23Å |
| 523 | D | 53.9 | Low | 65.4 | Low | 82 Ų | 82 | 51.5 Ų | 51.5 | 44% | 0.439 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 129.8 | 167.9 | -179.7 | 15.2 | 0 | 0 | 0 | 110.9 | L518 S525 H527 | L518-D523 HydrophobicContact CD2-CB 3.81Å; D523-S525 VanDerWaalsContact OD1-CB 3.25Å; D523-S525 WeakPolarHBondContact OD1-CB 3.32Å; D523-S525 PolarHBondContact OD1-N 3.32Å; D523-S525 PolarHBondContact OD1-OG 2.94Å; D523-S525 VanDerWaalsContact OD1-OG 3.07Å; D523-S525 PolarHBondContact OD2-OG 2.92Å; D523-H527 PolarHBondContact O-CE1 3.46Å; D523-H527 PolarHBondContact O-ND1 2.91Å |
| 524 | I | 67.3 | Low | 65.1 | Low | 7 Ų | 7 | 54.3 Ų | 54.3 | 4% | 0.036 | 29% | 0.29 | C | S | . | . | trans | -105.8 | 3.2 | -179.6 | 55.4 | 56.9 | 0 | 0 | 0 | 114.3 | L492 V516 L517 I519 R522 E526 H527 V532 Y535 | L492-I524 HydrophobicContact CB-CD1 3.93Å; L492-I524 HydrophobicContact CD2-CB 4.45Å; L492-I524 HydrophobicContact CD2-CD1 3.53Å; L492-I524 HydrophobicContact CD2-CG1 3.67Å; L492-I524 HydrophobicContact CG-CD1 4.38Å; V516-I524 HydrophobicContact CG1-CD1 4.35Å; V516-I524 HydrophobicContact CG1-CG1 4.15Å; V516-I524 WeakPolarHBondContact O-CD1 3.46Å; L517-I524 WeakPolarHBondContact O-CD1 3.42Å; L517-I524 WeakPolarHBondContact O-CG1 3.35Å; L517-I524 PolarHBondContact O-N 2.97Å; L517-I524 VanDerWaalsContact O-N 3.16Å; I519-I524 HydrophobicContact CB-CG2 4.11Å; I519-I524 HydrophobicContact CD1-CG1 4.35Å; I519-I524 HydrophobicContact CD1-CG2 4.01Å; I519-I524 HydrophobicContact CG1-CG1 4.09Å; I519-I524 HydrophobicContact CG1-CG2 3.84Å; R522-I524 PolarHBondContact O-N 2.78Å; I524-E526 VanDerWaalsContact C-N 3.33Å; I524-E526 PolarHBondContact O-N 3.39Å; I524-H527 HydrophobicContact CB-CB 4.49Å; I524-H527 PolarHBondContact O-N 2.98Å; I524-H527 VanDerWaalsContact O-N 3.09Å; I524-V532 HydrophobicContact CB-CG2 4.05Å; I524-V532 HydrophobicContact CG2-CG2 4.27Å; I524-Y535 HydrophobicContact CG2-CD2 4.34Å | ||
| 525 | S | 52.2 | Low | 64.1 | Low | 62 Ų | 62 | 56.1 Ų | 56.1 | 43% | 0.434 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -42.9 | -53.9 | 176.4 | 57.5 | 0 | 0 | 0 | 0 | 113.6 | D523 | D523-S525 VanDerWaalsContact OD1-CB 3.25Å; D523-S525 WeakPolarHBondContact OD1-CB 3.32Å; D523-S525 PolarHBondContact OD1-N 3.32Å; D523-S525 PolarHBondContact OD1-OG 2.94Å; D523-S525 VanDerWaalsContact OD1-OG 3.07Å; D523-S525 PolarHBondContact OD2-OG 2.92Å |
| 526 | E | 52.8 | Low | 64.2 | Low | 144 Ų | 144 | 54.9 Ų | 54.9 | 67% | 0.673 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | 19.3 | -176.1 | -64.3 | -58.6 | 135.9 | 0 | 0 | 114.1 | I524 | I524-E526 VanDerWaalsContact C-N 3.33Å; I524-E526 PolarHBondContact O-N 3.39Å |
| 527 | H | 60.2 | Low | 64 | Low | 39 Ų | 39 | 62 Ų | 62 | 18% | 0.181 | 32% | 0.316 | C | S | . | . | trans | -108.1 | 147.3 | -177.9 | -67.5 | 92.3 | 0 | 0 | 0 | 112.6 | V486 D523 I524 Q531 V532 Y535 | V486-H527 PolarHBondContact N-O 3.35Å; D523-H527 PolarHBondContact O-CE1 3.46Å; D523-H527 PolarHBondContact O-ND1 2.91Å; I524-H527 HydrophobicContact CB-CB 4.49Å; I524-H527 PolarHBondContact O-N 2.98Å; I524-H527 VanDerWaalsContact O-N 3.09Å; H527-Q531 HydrophobicContact CB-CB 4.42Å; H527-V532 HydrophobicContact CB-CG2 4.15Å; H527-Y535 HydrophobicContact CB-CE2 4.34Å; H527-Y535 AromaticContact CD2-CE2 3.49Å; H527-Y535 VanDerWaalsContact CD2-CE2 3.49Å; H527-Y535 WeakPolarHBondContact CD2-CE2 3.3Å; H527-Y535 AromaticContact CD2-CZ 3.85Å; H527-Y535 PolarHBondContact CD2-OH 3.26Å; H527-Y535 VanDerWaalsContact CD2-OH 3.29Å; H527-Y535 AromaticContact CG-CE2 3.91Å; H527-Y535 AromaticContact NE2-CE2 3.9Å; H527-Y535 PolarHBondContact NE2-OH 3.41Å | ||
| 528 | T | 76.3 | Confident | 64.3 | Low | 35 Ų | 35 | 61.7 Ų | 61.7 | 22% | 0.215 | 32% | 0.321 | C | S | . | . | trans | -78.1 | 159.8 | -179.5 | 73 | 0 | 0 | 0 | 0 | 112 | V486 D487 D530 Q531 V532 | V486-T528 HydrophobicContact CG1-CG2 3.97Å; D487-T528 HydrophobicContact CB-CG2 3.93Å; D487-T528 WeakPolarHBondContact OD1-CA 3.14Å; D487-T528 WeakPolarHBondContact OD1-CB 3.37Å; T528-D530 VanDerWaalsContact C-N 3.31Å; T528-D530 PolarHBondContact O-N 2.69Å; T528-Q531 VanDerWaalsContact N-OE1 3.12Å; T528-Q531 WeakPolarHBondContact O-CB 3.3Å; T528-Q531 PolarHBondContact O-N 3.48Å; T528-Q531 VanDerWaalsContact OG1-CD 3.29Å; T528-Q531 VanDerWaalsContact OG1-CG 3.22Å; T528-Q531 WeakPolarHBondContact OG1-CG 3.48Å; T528-Q531 PolarHBondContact OG1-N 3Å; T528-V532 WeakPolarHBondContact O-CG2 3.44Å; T528-V532 PolarHBondContact O-N 2.97Å | ||
| 529 | H | 75.6 | Confident | 64.6 | Low | 39 Ų | 39 | 59.4 Ų | 59.4 | 18% | 0.181 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -51.6 | -48.8 | 177.6 | -174 | 81 | 0 | 0 | 0 | 112.3 | G484 D487 Q488 Q531 V532 V533 | G484-H529 WeakPolarHBondContact O-CB 3.43Å; G484-H529 PolarHBondContact O-ND1 3.26Å; D487-H529 PolarHBondContact OD1-N 2.73Å; Q488-H529 HydrophobicContact CG-CB 4.32Å; Q488-H529 VanDerWaalsContact NE2-CB 3.28Å; H529-Q531 VanDerWaalsContact C-N 3.34Å; H529-Q531 PolarHBondContact O-N 2.92Å; H529-V532 WeakPolarHBondContact O-CB 3.3Å; H529-V532 PolarHBondContact O-N 3.43Å; H529-V533 WeakPolarHBondContact O-CB 3.47Å; H529-V533 WeakPolarHBondContact O-CG2 3.22Å; H529-V533 PolarHBondContact O-N 3.04Å |
| 530 | D | 72.3 | Confident | 64.5 | Low | 120 Ų | 120 | 65 Ų | 65 | 64% | 0.642 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -65.3 | -34.7 | 177.8 | -70.1 | -26.5 | 0 | 0 | 0 | 112.8 | T528 M534 | T528-D530 VanDerWaalsContact C-N 3.31Å; T528-D530 PolarHBondContact O-N 2.69Å; D530-M534 WeakPolarHBondContact O-CB 3.37Å; D530-M534 PolarHBondContact O-N 2.67Å |
| 531 | Q | 53.1 | Low | 63.8 | Low | 74 Ų | 74 | 67.9 Ų | 67.9 | 35% | 0.346 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -69 | -40.6 | 175.5 | -70.7 | 166.6 | 5.3 | 0 | 0 | 111.5 | H527 T528 H529 M534 Y535 | H527-Q531 HydrophobicContact CB-CB 4.42Å; T528-Q531 VanDerWaalsContact N-OE1 3.12Å; T528-Q531 WeakPolarHBondContact O-CB 3.3Å; T528-Q531 PolarHBondContact O-N 3.48Å; T528-Q531 VanDerWaalsContact OG1-CD 3.29Å; T528-Q531 VanDerWaalsContact OG1-CG 3.22Å; T528-Q531 WeakPolarHBondContact OG1-CG 3.48Å; T528-Q531 PolarHBondContact OG1-N 3Å; H529-Q531 VanDerWaalsContact C-N 3.34Å; H529-Q531 PolarHBondContact O-N 2.92Å; Q531-M534 WeakPolarHBondContact O-CB 3.31Å; Q531-M534 PolarHBondContact O-N 2.76Å; Q531-Y535 HydrophobicContact CB-CE2 4.23Å; Q531-Y535 WeakPolarHBondContact O-CD2 3.46Å; Q531-Y535 PolarHBondContact O-N 2.85Å |
| 532 | V | 74.5 | Confident | 64.3 | Low | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.3 | -50.2 | 173.7 | 165.3 | 0 | 0 | 0 | 0 | 110.8 | V482 L492 I519 I524 H527 T528 H529 M534 Y535 I536 | V482-V532 HydrophobicContact CG2-CG1 4.44Å; L492-V532 HydrophobicContact CD1-CB 4.47Å; L492-V532 HydrophobicContact CD1-CG1 3.75Å; L492-V532 HydrophobicContact CD1-CG2 4.48Å; L492-V532 HydrophobicContact CD2-CB 4.33Å; L492-V532 HydrophobicContact CD2-CG1 3.42Å; L492-V532 VanDerWaalsContact CD2-CG1 3.42Å; L492-V532 HydrophobicContact CD2-CG2 3.96Å; L492-V532 HydrophobicContact CG-CG1 4.24Å; I519-V532 HydrophobicContact CD1-CG1 3.9Å; I524-V532 HydrophobicContact CB-CG2 4.05Å; I524-V532 HydrophobicContact CG2-CG2 4.27Å; H527-V532 HydrophobicContact CB-CG2 4.15Å; T528-V532 WeakPolarHBondContact O-CG2 3.44Å; T528-V532 PolarHBondContact O-N 2.97Å; H529-V532 WeakPolarHBondContact O-CB 3.3Å; H529-V532 PolarHBondContact O-N 3.43Å; V532-M534 PolarHBondContact O-N 3.31Å; V532-Y535 PolarHBondContact O-N 3.33Å; V532-I536 HydrophobicContact CG1-CD1 3.97Å; V532-I536 WeakPolarHBondContact O-CG1 3.47Å; V532-I536 PolarHBondContact O-N 3.33Å |
| 533 | V | 81.1 | Confident | 63.9 | Low | 27 Ų | 27 | 66.9 Ų | 66.9 | 16% | 0.164 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.7 | -35.3 | 176.8 | 170.5 | 0 | 0 | 0 | 0 | 110.7 | V482 H529 R537 | V482-V533 HydrophobicContact CG2-CG2 3.83Å; H529-V533 WeakPolarHBondContact O-CB 3.47Å; H529-V533 WeakPolarHBondContact O-CG2 3.22Å; H529-V533 PolarHBondContact O-N 3.04Å; V533-R537 WeakPolarHBondContact O-CB 3.47Å; V533-R537 VanDerWaalsContact O-CG 3.23Å; V533-R537 WeakPolarHBondContact O-CG 3.47Å; V533-R537 PolarHBondContact O-N 3.42Å |
| 534 | M | 73.6 | Confident | 63.6 | Low | 102 Ų | 102 | 65.2 Ų | 65.2 | 50% | 0.502 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65.1 | -41.7 | 171.1 | -178.5 | -168.5 | 71.6 | 0 | 0 | 112.3 | D530 Q531 V532 R537 A538 | D530-M534 WeakPolarHBondContact O-CB 3.37Å; D530-M534 PolarHBondContact O-N 2.67Å; Q531-M534 WeakPolarHBondContact O-CB 3.31Å; Q531-M534 PolarHBondContact O-N 2.76Å; V532-M534 PolarHBondContact O-N 3.31Å; M534-R537 PolarHBondContact O-N 2.64Å; M534-A538 VanDerWaalsContact O-CB 3.22Å; M534-A538 WeakPolarHBondContact O-CB 3.37Å; M534-A538 PolarHBondContact O-N 3.4Å |
| 535 | Y | 66.6 | Low | 63.5 | Low | 43 Ų | 43 | 73.2 Ų | 73.2 | 17% | 0.169 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -67.1 | -39.9 | 176 | -59.6 | -37.3 | 0 | 0 | 0 | 112.5 | R522 I524 H527 Q531 V532 A538 S539 | R522-Y535 PolarHBondContact NH1-OH 3.23Å; I524-Y535 HydrophobicContact CG2-CD2 4.34Å; H527-Y535 HydrophobicContact CB-CE2 4.34Å; H527-Y535 AromaticContact CD2-CE2 3.49Å; H527-Y535 VanDerWaalsContact CD2-CE2 3.49Å; H527-Y535 WeakPolarHBondContact CD2-CE2 3.3Å; H527-Y535 AromaticContact CD2-CZ 3.85Å; H527-Y535 PolarHBondContact CD2-OH 3.26Å; H527-Y535 VanDerWaalsContact CD2-OH 3.29Å; H527-Y535 AromaticContact CG-CE2 3.91Å; H527-Y535 AromaticContact NE2-CE2 3.9Å; H527-Y535 PolarHBondContact NE2-OH 3.41Å; Q531-Y535 HydrophobicContact CB-CE2 4.23Å; Q531-Y535 WeakPolarHBondContact O-CD2 3.46Å; Q531-Y535 PolarHBondContact O-N 2.85Å; V532-Y535 PolarHBondContact O-N 3.33Å; Y535-A538 PolarHBondContact O-N 3.22Å; Y535-S539 PolarHBondContact O-N 3.24Å; Y535-S539 VanDerWaalsContact O-N 3.13Å; Y535-S539 PolarHBondContact O-OG 2.9Å |
| 536 | I | 78.4 | Confident | 63.9 | Low | 18 Ų | 18 | 74.4 Ų | 74.4 | 9% | 0.092 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.8 | -47.8 | 172.8 | -67.6 | 168 | 0 | 0 | 0 | 109.9 | F478 F480 V482 I519 V532 S539 L547 | F478-I536 HydrophobicContact CD2-CG2 4.1Å; F478-I536 HydrophobicContact CE2-CG2 4.44Å; F478-I536 VanDerWaalsContact CE2-O 3.3Å; F478-I536 WeakPolarHBondContact CE2-O 3.41Å; F480-I536 HydrophobicContact CE2-CD1 4.3Å; F480-I536 HydrophobicContact CZ-CD1 4.19Å; F480-I536 HydrophobicContact CZ-CG2 4.25Å; V482-I536 HydrophobicContact CG1-CD1 3.86Å; V482-I536 HydrophobicContact CG2-CD1 4.26Å; I519-I536 HydrophobicContact CD1-CD1 4.1Å; I519-I536 HydrophobicContact CD1-CG1 3.81Å; V532-I536 HydrophobicContact CG1-CD1 3.97Å; V532-I536 WeakPolarHBondContact O-CG1 3.47Å; V532-I536 PolarHBondContact O-N 3.33Å; I536-S539 WeakPolarHBondContact O-CB 3.32Å; I536-S539 PolarHBondContact O-N 2.61Å; I536-L547 HydrophobicContact CB-CD1 4.49Å; I536-L547 HydrophobicContact CG1-CD1 4.28Å; I536-L547 HydrophobicContact CG2-CD2 3.97Å |
| 537 | R | 74.9 | Confident | 65.1 | Low | 156 Ų | 156 | 67.5 Ų | 67.5 | 59% | 0.589 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -65 | -44 | 177.5 | -72.2 | 171.6 | -175.4 | -177.5 | 4.7 | 112.5 | V533 M534 S539 R540 | V533-R537 WeakPolarHBondContact O-CB 3.47Å; V533-R537 VanDerWaalsContact O-CG 3.23Å; V533-R537 WeakPolarHBondContact O-CG 3.47Å; V533-R537 PolarHBondContact O-N 3.42Å; M534-R537 PolarHBondContact O-N 2.64Å; R537-S539 PolarHBondContact O-N 3.38Å; R537-S539 VanDerWaalsContact O-N 3.15Å; R537-R540 WeakPolarHBondContact O-CD 3.33Å; R537-R540 WeakPolarHBondContact O-CG 3.38Å; R537-R540 PolarHBondContact O-N 3.11Å; R537-R540 VanDerWaalsContact O-N 3.08Å; R537-R540 PolarHBondContact O-NE 3.08Å |
| 538 | A | 64.8 | Low | 65.4 | Low | 42 Ų | 42 | 66.8 Ų | 66.8 | 35% | 0.347 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.7 | -19.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | M534 Y535 R540 E541 S542 | M534-A538 VanDerWaalsContact O-CB 3.22Å; M534-A538 WeakPolarHBondContact O-CB 3.37Å; M534-A538 PolarHBondContact O-N 3.4Å; Y535-A538 PolarHBondContact O-N 3.22Å; A538-R540 PolarHBondContact O-N 3.33Å; A538-E541 CarbonylContact O-C 3.51Å; A538-E541 WeakPolarHBondContact O-CA 3.25Å; A538-E541 PolarHBondContact O-N 3.45Å; A538-S542 PolarHBondContact O-N 3.27Å |
| 539 | S | 64.4 | Low | 65 | Low | 2 Ų | 2 | 65.1 Ų | 65.1 | 1% | 0.014 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -9.8 | 174.6 | -55.2 | 0 | 0 | 0 | 0 | 114 | N520 Y535 I536 R537 S542 R545 L547 | N520-S539 PolarHBondContact ND2-OG 2.82Å; Y535-S539 PolarHBondContact O-N 3.24Å; Y535-S539 VanDerWaalsContact O-N 3.13Å; Y535-S539 PolarHBondContact O-OG 2.9Å; I536-S539 WeakPolarHBondContact O-CB 3.32Å; I536-S539 PolarHBondContact O-N 2.61Å; R537-S539 PolarHBondContact O-N 3.38Å; R537-S539 VanDerWaalsContact O-N 3.15Å; S539-S542 WeakPolarHBondContact CA-OG 3.38Å; S539-S542 PolarHBondContact O-OG 2.89Å; S539-R545 CarbonylContact O-C 3.56Å; S539-L547 VanDerWaalsContact OG-CD1 3.3Å; S539-L547 WeakPolarHBondContact OG-CD1 3.47Å |
| 540 | R | 64.8 | Low | 64.2 | Low | 121 Ų | 121 | 65.4 Ų | 65.4 | 46% | 0.457 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -17 | 167.3 | 86.4 | -154.9 | 167.6 | 154.3 | 5 | 113.1 | F478 R537 A538 | F478-R540 HydrophobicContact CZ-CB 4.46Å; R537-R540 WeakPolarHBondContact O-CD 3.33Å; R537-R540 WeakPolarHBondContact O-CG 3.38Å; R537-R540 PolarHBondContact O-N 3.11Å; R537-R540 VanDerWaalsContact O-N 3.08Å; R537-R540 PolarHBondContact O-NE 3.08Å; A538-R540 PolarHBondContact O-N 3.33Å |
| 541 | E | 47.8 | Very low | 64.6 | Low | 130 Ų | 130 | 59.7 Ų | 59.7 | 61% | 0.607 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.9 | -9.1 | -175.6 | -75.6 | 156.2 | -132.8 | 0 | 0 | 112.2 | A538 | A538-E541 CarbonylContact O-C 3.51Å; A538-E541 WeakPolarHBondContact O-CA 3.25Å; A538-E541 PolarHBondContact O-N 3.45Å |
| 542 | S | 49.5 | Very low | 65.6 | Low | 35 Ų | 35 | 59.5 Ų | 59.5 | 25% | 0.245 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -72.8 | 151.3 | 171.2 | 53.4 | 0 | 0 | 0 | 0 | 112.2 | A538 S539 S544 R545 | A538-S542 PolarHBondContact O-N 3.27Å; S539-S542 WeakPolarHBondContact CA-OG 3.38Å; S539-S542 PolarHBondContact O-OG 2.89Å; S542-S544 VanDerWaalsContact C-N 3.26Å; S542-S544 PolarHBondContact O-N 3.14Å; S542-S544 VanDerWaalsContact O-N 3.15Å; S542-R545 WeakPolarHBondContact O-CG 3.38Å; S542-R545 PolarHBondContact O-N 3.43Å |
| 543 | H | 38.6 | Very low | 65.8 | Low | 126 Ų | 126 | 61.4 Ų | 61.4 | 58% | 0.583 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.9 | -43.2 | -178.7 | -54.3 | 103.1 | 0 | 0 | 0 | 113.5 | D176 Q180 R545 | D176-H543 HydrophobicContact CB-CB 4.47Å; Q180-H543 PolarHBondContact NE2-CE1 3.16Å; Q180-H543 PolarHBondContact NE2-NE2 2.87Å; H543-R545 VanDerWaalsContact C-N 3.31Å; H543-R545 PolarHBondContact O-N 2.66Å |
| 544 | S | 46.9 | Very low | 65 | Low | 47 Ų | 47 | 68.6 Ų | 68.6 | 33% | 0.329 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -18.8 | 177.6 | 59.4 | 0 | 0 | 0 | 0 | 115.9 | S542 Q546 | S542-S544 VanDerWaalsContact C-N 3.26Å; S542-S544 PolarHBondContact O-N 3.14Å; S542-S544 VanDerWaalsContact O-N 3.15Å; S544-Q546 PolarHBondContact O-N 2.68Å |
| 545 | R | 64.7 | Low | 63.9 | Low | 176 Ų | 176 | 66.5 Ų | 66.5 | 66% | 0.664 | 32% | 0.32 | S | S | * | . | trans | 45.6 | 26.5 | -171.2 | -58.8 | -174.5 | -179.9 | -172.4 | 0.7 | 115.7 | P472 S539 S542 H543 | P472-R545 WeakPolarHBondContact CD-O 3.38Å; S539-R545 CarbonylContact O-C 3.56Å; S542-R545 WeakPolarHBondContact O-CG 3.38Å; S542-R545 PolarHBondContact O-N 3.43Å; H543-R545 VanDerWaalsContact C-N 3.31Å; H543-R545 PolarHBondContact O-N 2.66Å | ||
| 546 | Q | 61.6 | Low | 62.3 | Low | 86 Ų | 86 | 70.8 Ų | 70.8 | 40% | 0.402 | 36% | 0.356 | S | S | . | . | trans | -125.9 | 147.5 | -179.3 | -74.6 | -176.9 | 57.6 | 0 | 0 | 111 | S544 | S544-Q546 PolarHBondContact O-N 2.68Š| ||
| 547 | L | 76.4 | Confident | 60 | Low | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 112.4 | 175.9 | 178.8 | 73.1 | 0 | 0 | 0 | 109.5 | C469 I470 F478 F480 I519 I536 S539 L549 | C469-L547 CarbonylContact C-O 3.52Å; C469-L547 WeakPolarHBondContact CA-O 3.24Å; I470-L547 PolarHBondContact N-O 2.87Å; I470-L547 PolarHBondContact O-N 3.41Å; F478-L547 HydrophobicContact CB-CD2 4.44Å; F478-L547 HydrophobicContact CD1-CB 3.87Å; F478-L547 HydrophobicContact CD1-CD2 4Å; F478-L547 HydrophobicContact CD2-CD2 4.15Å; F478-L547 HydrophobicContact CE1-CB 3.45Å; F478-L547 VanDerWaalsContact CE1-CB 3.45Å; F478-L547 HydrophobicContact CE1-CD2 4.27Å; F478-L547 HydrophobicContact CE2-CD2 4.43Å; F478-L547 HydrophobicContact CG-CD2 3.94Å; F478-L547 HydrophobicContact CZ-CB 3.83Å; F478-L547 HydrophobicContact CZ-CD2 4.49Å; F480-L547 HydrophobicContact CE1-CD2 3.62Å; F480-L547 HydrophobicContact CZ-CD2 3.68Å; I519-L547 HydrophobicContact CG2-CD1 3.64Å; I536-L547 HydrophobicContact CB-CD1 4.49Å; I536-L547 HydrophobicContact CG1-CD1 4.28Å; I536-L547 HydrophobicContact CG2-CD2 3.97Å; S539-L547 VanDerWaalsContact OG-CD1 3.3Å; S539-L547 WeakPolarHBondContact OG-CD1 3.47Å; L547-L549 HydrophobicContact CD1-CD2 4.05Å; L547-L549 HydrophobicContact CD2-CD1 4.36Å; L547-L549 HydrophobicContact CD2-CD2 4.14Å; L547-L549 HydrophobicContact CD2-CG 4.29Å; L547-L549 HydrophobicContact CG-CD2 3.93Å; L547-L549 HydrophobicContact CG-CG 4.14Å |
| 548 | A | 67.9 | Low | 57.5 | Low | 24 Ų | 24 | 77.7 Ų | 77.7 | 20% | 0.198 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 121.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110 | L467 I468 I519 N520 | L467-A548 HydrophobicContact CD1-CB 4.33Å; I468-A548 WeakPolarHBondContact O-CA 3.11Å; I519-A548 CarbonylContact C-O 3.58Å; I519-A548 WeakPolarHBondContact CA-O 3.43Å; N520-A548 PolarHBondContact N-O 3.4Å; N520-A548 PolarHBondContact OD1-N 3.02Å; N520-A548 PolarHBondContact OD1-O 2.83Å |
| 549 | L | 66.7 | Low | 56.1 | Low | 0 Ų | 0 | 82.6 Ų | 82.6 | 0% | 0 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 117.3 | 178.6 | -57.3 | 178 | 0 | 0 | 0 | 109.2 | I468 I470 F480 L510 V516 L518 I519 L547 I551 | I468-L549 PolarHBondContact N-O 3.32Å; I468-L549 PolarHBondContact O-N 2.97Å; I470-L549 HydrophobicContact CD1-CD1 4.06Å; F480-L549 HydrophobicContact CE1-CD1 4.34Å; F480-L549 HydrophobicContact CE2-CD1 4.15Å; F480-L549 HydrophobicContact CZ-CD1 3.75Å; L510-L549 HydrophobicContact CD1-CD1 4.25Å; L510-L549 HydrophobicContact CD2-CD1 4.38Å; V516-L549 HydrophobicContact CG1-CD2 4.38Å; L518-L549 WeakPolarHBondContact O-CA 3.39Å; I519-L549 HydrophobicContact CB-CD2 4.4Å; I519-L549 HydrophobicContact CD1-CD2 4.2Å; I519-L549 HydrophobicContact CG1-CD2 3.82Å; I519-L549 HydrophobicContact CG2-CD2 4.19Å; L547-L549 HydrophobicContact CD1-CD2 4.05Å; L547-L549 HydrophobicContact CD2-CD1 4.36Å; L547-L549 HydrophobicContact CD2-CD2 4.14Å; L547-L549 HydrophobicContact CD2-CG 4.29Å; L547-L549 HydrophobicContact CG-CD2 3.93Å; L547-L549 HydrophobicContact CG-CG 4.14Å; L549-I551 HydrophobicContact CB-CG2 4.2Å |
| 550 | L | 60.4 | Low | 54.1 | Low | 44 Ų | 44 | 90.7 Ų | 90.7 | 23% | 0.23 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 118.5 | 163.2 | -170.8 | 74.3 | 0 | 0 | 0 | 107.5 | L467 L517 L518 | L467-L550 HydrophobicContact CB-CD1 4.23Å; L467-L550 HydrophobicContact CD1-CB 4.3Å; L467-L550 HydrophobicContact CD1-CD1 4.36Å; L517-L550 PolarHBondContact N-O 2.94Å; L518-L550 HydrophobicContact CB-CB 3.76Å; L518-L550 HydrophobicContact CD1-CB 4.05Å; L518-L550 HydrophobicContact CD1-CD2 3.66Å; L518-L550 HydrophobicContact CD1-CG 4.49Å; L518-L550 HydrophobicContact CG-CB 3.86Å; L518-L550 HydrophobicContact CG-CD2 3.84Å; L518-L550 HydrophobicContact CG-CG 4.49Å; L518-L550 PolarHBondContact N-O 2.85Å; L518-L550 PolarHBondContact O-N 2.87Å |
| 551 | I | 80.1 | Confident | 52.1 | Low | 0 Ų | 0 | 89.6 Ų | 89.6 | 0% | 0 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 157.2 | -179.9 | 61.5 | 154.9 | 0 | 0 | 0 | 111.7 | L465 M466 I468 L510 D514 L515 V516 L549 | L465-I551 WeakPolarHBondContact CA-O 3.02Å; M466-I551 HydrophobicContact CB-CD1 4.36Å; M466-I551 HydrophobicContact CB-CG1 4.01Å; M466-I551 HydrophobicContact CE-CD1 4.2Å; M466-I551 PolarHBondContact N-O 2.88Å; M466-I551 VanDerWaalsContact O-CG1 3.25Å; M466-I551 WeakPolarHBondContact O-CG1 3.33Å; M466-I551 PolarHBondContact O-N 2.92Å; I468-I551 HydrophobicContact CD1-CD1 3.53Å; I468-I551 HydrophobicContact CD1-CG1 4.11Å; I468-I551 HydrophobicContact CG1-CD1 4.37Å; I468-I551 HydrophobicContact CG1-CG1 4.48Å; L510-I551 HydrophobicContact CD1-CG2 4.33Å; D514-I551 HydrophobicContact CB-CB 4.38Å; D514-I551 HydrophobicContact CB-CD1 3.94Å; D514-I551 HydrophobicContact CB-CG2 4.42Å; D514-I551 VanDerWaalsContact CG-CD1 3.41Å; D514-I551 VanDerWaalsContact OD2-CD1 3.29Å; D514-I551 WeakPolarHBondContact OD2-CD1 3.44Å; L515-I551 CarbonylContact O-C 3.57Å; L515-I551 WeakPolarHBondContact O-CA 3.49Å; L515-I551 WeakPolarHBondContact O-CB 3.46Å; V516-I551 HydrophobicContact CG2-CG2 4.16Å; L549-I551 HydrophobicContact CB-CG2 4.2Å |
| 552 | R | 74.1 | Confident | 51.2 | Low | 71 Ų | 71 | 92.6 Ų | 92.6 | 27% | 0.268 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 118.3 | 162.6 | -177.6 | 176.9 | -89.4 | 122 | -11.6 | 108.9 | D462 G463 D464 L465 L515 L517 | D462-R552 IonicContact OD1-CZ 3.84Å; D462-R552 IonicContact OD1-NE 2.76Å; D462-R552 PolarHBondContact OD1-NE 2.77Å; D462-R552 IonicContact OD1-NH2 3.12Å; D462-R552 PolarHBondContact OD1-NH2 2.7Å; D462-R552 IonicContact OD2-NH2 2.98Å; D462-R552 PolarHBondContact OD2-NH2 2.64Å; G463-R552 WeakPolarHBondContact O-CG 3.49Å; G463-R552 PolarHBondContact O-NE 3.07Å; D464-R552 WeakPolarHBondContact O-CA 3.47Å; L465-R552 HydrophobicContact CD2-CB 3.85Å; L465-R552 HydrophobicContact CD2-CG 4.28Å; L515-R552 HydrophobicContact CB-CB 4.43Å; L515-R552 PolarHBondContact N-O 3.18Å; L515-R552 VanDerWaalsContact N-O 3.14Å; L515-R552 PolarHBondContact O-N 2.92Å; L517-R552 HydrophobicContact CD1-CB 4.06Å |
| 553 | R | 79 | Confident | 49.9 | Very low | 40 Ų | 40 | 98.5 Ų | 98.5 | 15% | 0.151 | 52% | 0.516 | C | S | . | . | P | Polyproline II helix | trans | -92.4 | 138.6 | 173.6 | -171.2 | 163 | -65.2 | 156.6 | -0 | 109.5 | D464 M466 R509 Q511 D514 | D464-R553 PolarHBondContact O-N 3.35Å; M466-R553 HydrophobicContact CE-CB 3.4Å; M466-R553 VanDerWaalsContact CE-CB 3.4Å; M466-R553 HydrophobicContact CE-CG 4.2Å; R509-R553 PolarHBondContact O-NH2 2.69Å; Q511-R553 VanDerWaalsContact CD-CZ 3.46Å; D514-R553 WeakPolarHBondContact OD1-CG 3.41Å; D514-R553 IonicContact OD1-CZ 3.51Å; D514-R553 IonicContact OD1-NE 3.23Å; D514-R553 PolarHBondContact OD1-NE 3.37Å; D514-R553 IonicContact OD1-NH2 3.39Å; D514-R553 PolarHBondContact OD1-NH2 2.84Å; D514-R553 IonicContact OD2-CZ 3.59Å; D514-R553 IonicContact OD2-NE 3.71Å; D514-R553 IonicContact OD2-NH2 2.71Å; D514-R553 PolarHBondContact OD2-NH2 3.2Å |
| 554 | K | 63.3 | Low | 49.4 | Very low | 178 Ų | 178 | 101.5 Ų | 101.5 | 77% | 0.774 | 53% | 0.53 | S | S | * | . | P | Polyproline II helix | trans | -79.9 | 125.8 | 170.3 | -75.5 | -171.7 | 173.5 | -175.5 | 0 | 109.1 | ||
| 555 | G | 50.3 | Low | 48.3 | Very low | 58 Ų | 58 | 107 Ų | 107 | 60% | 0.598 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 148.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | G557 | G555-G557 PolarHBondContact O-N 2.91Å; G555-G557 VanDerWaalsContact O-N 3.16Å |
| 556 | S | 34.3 | Very low | 46.3 | Very low | 133 Ų | 133 | 103.9 Ų | 103.9 | 93% | 0.93 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -72.9 | 108.6 | -170.1 | -170.4 | 0 | 0 | 0 | 0 | 113.2 | ||
| 557 | G | 29.2 | Very low | 44.6 | Very low | 63 Ų | 63 | 110.2 Ų | 110.2 | 65% | 0.649 | 59% | 0.587 | S | S | * | * | trans | 79.7 | 112.7 | 144.2 | 0 | 0 | 0 | 0 | 0 | 118.7 | G555 | G555-G557 PolarHBondContact O-N 2.91Å; G555-G557 VanDerWaalsContact O-N 3.16Å | ||
| 558 | R | 23.7 | Very low | 42.1 | Very low | 256 Ų | 256 | 114.4 Ų | 114.4 | 97% | 0.966 | 62% | 0.622 | S | S | * | * | -152.4 | 138.6 | 118.6 | -106.7 | 170.4 | -162.5 | -145.9 | 2.7 | 110.1 | |||||
| 559 | V | 34.2 | Very low | 40 | Very low | 144 Ų | 144 | 117.6 Ų | 117.6 | 87% | 0.873 | 65% | 0.648 | S | S | * | * | trans | -90 | 135.2 | -178.3 | 177.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 560 | M | 22.1 | Very low | 38 | Very low | 172 Ų | 172 | 124.9 Ų | 124.9 | 85% | 0.847 | 69% | 0.686 | S | S | * | * | trans | -141 | 157.8 | 161 | -96.7 | -161.3 | 68.2 | 0 | 0 | 110.1 | ||||
| 561 | P | 24.4 | Very low | 36.2 | Very low | 99 Ų | 99 | 127.6 Ų | 127.6 | 64% | 0.643 | 71% | 0.709 | S | S | * | * | trans | -90.4 | 160.9 | -141.9 | -12.4 | 30.4 | 0 | 0 | 0 | 115.5 | L563 | P561-L563 PolarHBondContact O-N 3.42Š| ||
| 562 | Q | 28.5 | Very low | 33.6 | Very low | 192 Ų | 192 | 135.7 Ų | 135.7 | 90% | 0.897 | 75% | 0.751 | S | S | * | * | trans | -62.3 | 127.6 | 155.9 | -69.2 | 177.7 | -64.7 | 0 | 0 | 109.5 | ||||
| 563 | L | 22.5 | Very low | 31.2 | Very low | 159 Ų | 159 | 138.2 Ų | 138.2 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | trans | -109.4 | 93.3 | 160.9 | -89.3 | 167.1 | 0 | 0 | 0 | 109.4 | P561 | P561-L563 PolarHBondContact O-N 3.42Š| ||
| 564 | Q | 27.3 | Very low | 28.7 | Very low | 189 Ų | 189 | 144 Ų | 144 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | trans | -69.6 | 117.7 | 170 | 175.4 | -177.5 | 0.8 | 0 | 0 | 109.1 | ||||
| 565 | L | 23.9 | Very low | 27 | Very low | 163 Ų | 163 | 140.8 Ų | 140.8 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | trans | -127.3 | 127.6 | 173.4 | -87.6 | 169.9 | 0 | 0 | 0 | 111.6 | ||||
| 566 | S | 21.8 | Very low | 26.2 | Very low | 110 Ų | 110 | 144 Ų | 144 | 77% | 0.769 | 82% | 0.815 | S | S | * | * | trans | -94 | 147.7 | -173.6 | 49 | 0 | 0 | 0 | 0 | 112.8 | A568 | S566-A568 PolarHBondContact O-N 3.11Š| ||
| 567 | F | 27.5 | Very low | 25.9 | Very low | 219 Ų | 219 | 147.1 Ų | 147.1 | 96% | 0.961 | 82% | 0.815 | S | S | * | * | trans | -72.5 | 117.2 | 167 | -96.1 | -100.8 | 0 | 0 | 0 | 111.8 | ||||
| 568 | A | 22.5 | Very low | 25.9 | Very low | 89 Ų | 89 | 152.7 Ų | 152.7 | 74% | 0.736 | 82% | 0.824 | S | S | * | * | trans | -169 | 140.5 | 151 | 0 | 0 | 0 | 0 | 0 | 111.4 | S566 | S566-A568 PolarHBondContact O-N 3.11Š| ||
| 569 | A | 24.3 | Very low | 26.1 | Very low | 91 Ų | 91 | 148 Ų | 148 | 75% | 0.752 | 82% | 0.818 | S | S | * | * | trans | 42.5 | 141.6 | 147.1 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 570 | L | 24.2 | Very low | 25.9 | Very low | 153 Ų | 153 | 150.2 Ų | 150.2 | 80% | 0.801 | 82% | 0.816 | S | S | * | * | cis | -162.9 | 155.7 | -1.8 | -114.1 | 167.7 | 0 | 0 | 0 | 109.9 | ||||
| 571 | S | 23 | Very low | 26.3 | Very low | 101 Ų | 101 | 148 Ų | 148 | 71% | 0.706 | 81% | 0.814 | S | S | * | * | trans | 29.6 | 132.2 | 155.3 | -60.7 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 572 | L | 25.3 | Very low | 26.5 | Very low | 169 Ų | 169 | 152.4 Ų | 152.4 | 89% | 0.885 | 83% | 0.826 | S | S | * | * | -146.4 | 153.7 | 124.9 | -111.1 | 171.5 | 0 | 0 | 0 | 111.5 | |||||
| 573 | T | 23.9 | Very low | 26.7 | Very low | 125 Ų | 125 | 148.4 Ų | 148.4 | 77% | 0.767 | 82% | 0.819 | S | S | * | * | trans | -84.2 | 149.5 | -156.7 | 46.7 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 574 | I | 27.2 | Very low | 27.5 | Very low | 160 Ų | 160 | 147.6 Ų | 147.6 | 82% | 0.821 | 82% | 0.824 | S | S | * | * | trans | -105.3 | 137.3 | 158.8 | -61.2 | 176.2 | 0 | 0 | 0 | 108.1 | ||||
| 575 | P | 27.7 | Very low | 27.6 | Very low | 111 Ų | 111 | 141.9 Ų | 141.9 | 72% | 0.721 | 82% | 0.816 | S | S | * | * | trans | -72 | 155.2 | 177.9 | 30.2 | -35.7 | 0 | 0 | 0 | 112.7 | ||||
| 576 | P | 32.6 | Very low | 28 | Very low | 127 Ų | 127 | 143.1 Ų | 143.1 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | trans | -83.6 | 147.8 | -169.7 | 33.3 | -35.9 | 0 | 0 | 0 | 113.6 | ||||
| 577 | Q | 29.1 | Very low | 28.8 | Very low | 198 Ų | 198 | 146 Ų | 146 | 93% | 0.925 | 82% | 0.823 | S | S | * | * | trans | -137.4 | 141.6 | 146.8 | -136.6 | 177 | 11.1 | 0 | 0 | 109.3 | ||||
| 578 | E | 29.1 | Very low | 29.4 | Very low | 179 Ų | 179 | 144.2 Ų | 144.2 | 84% | 0.836 | 82% | 0.818 | S | S | * | * | trans | -82.4 | 138.5 | -165.1 | -58.1 | 171.3 | 109.1 | 0 | 0 | 112.4 | ||||
| 579 | N | 27.9 | Very low | 31.1 | Very low | 159 Ų | 159 | 150.4 Ų | 150.4 | 85% | 0.85 | 82% | 0.822 | S | S | * | * | -164.6 | 170.5 | 117.2 | -108.3 | -71 | 0 | 0 | 0 | 113 | |||||
| 580 | K | 28.6 | Very low | 33 | Very low | 190 Ų | 190 | 148.2 Ų | 148.2 | 83% | 0.826 | 80% | 0.799 | S | S | * | * | trans | -71.2 | 152.7 | -162.8 | -73.6 | 173.9 | 179.5 | 171.3 | 0 | 115 | ||||
| 581 | P | 31.6 | Very low | 35.4 | Very low | 125 Ų | 125 | 146 Ų | 146 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | trans | -73.4 | 151.5 | 178.4 | 31.7 | -36.6 | 0 | 0 | 0 | 112.8 | ||||
| 582 | Q | 28.8 | Very low | 38.6 | Very low | 191 Ų | 191 | 144 Ų | 144 | 89% | 0.893 | 78% | 0.775 | S | S | * | * | trans | -117.2 | 153.9 | 160.2 | -75.7 | -171 | -22.6 | 0 | 0 | 110.7 | ||||
| 583 | S | 31.3 | Very low | 41.7 | Very low | 108 Ų | 108 | 137 Ų | 137 | 76% | 0.755 | 74% | 0.739 | S | S | * | * | trans | -66.5 | 160.6 | -177.9 | 36.7 | 0 | 0 | 0 | 0 | 113 | G585 | S583-G585 PolarHBondContact O-N 3.39Š| ||
| 584 | P | 40.6 | Very low | 45 | Very low | 142 Ų | 142 | 135.4 Ų | 135.4 | 92% | 0.922 | 72% | 0.723 | S | S | * | * | trans | -60.1 | 106.4 | -173.9 | 23 | -34.8 | 0 | 0 | 0 | 112.6 | ||||
| 585 | G | 29.2 | Very low | 48 | Very low | 69 Ų | 69 | 131.8 Ų | 131.8 | 71% | 0.711 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 156.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | S583 | S583-G585 PolarHBondContact O-N 3.39Š|
| 586 | Q | 32.3 | Very low | 51.2 | Low | 190 Ų | 190 | 126.5 Ų | 126.5 | 89% | 0.888 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -46.2 | 143.8 | -178.6 | -66 | 157 | -23.4 | 0 | 0 | 114.8 | E588 | Q586-E588 PolarHBondContact O-N 2.98Š|
| 587 | L | 37.4 | Very low | 54.2 | Low | 171 Ų | 171 | 120.6 Ų | 120.6 | 90% | 0.895 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 124.3 | 164 | -174.9 | 74.3 | 0 | 0 | 0 | 109.4 | R589 | L587-R589 PolarHBondContact O-N 2.87Å; L587-R589 VanDerWaalsContact O-N 3.08Å |
| 588 | E | 41.8 | Very low | 57.2 | Low | 181 Ų | 181 | 116 Ų | 116 | 85% | 0.846 | 61% | 0.607 | S | S | * | * | trans | -57.6 | 114.7 | -174.8 | -68.8 | -175.5 | 135.5 | 0 | 0 | 111.6 | Q586 V590 | Q586-E588 PolarHBondContact O-N 2.98Å; E588-V590 PolarHBondContact O-N 3.32Å | ||
| 589 | R | 57.5 | Low | 60 | Low | 218 Ų | 218 | 111.8 Ų | 111.8 | 82% | 0.823 | 59% | 0.587 | S | S | * | * | trans | -82.3 | 83.2 | -177.5 | -167.7 | -179.3 | -170.1 | -158.7 | -1 | 109.3 | L587 T591 | L587-R589 PolarHBondContact O-N 2.87Å; L587-R589 VanDerWaalsContact O-N 3.08Å; R589-T591 WeakPolarHBondContact O-CG2 3.27Å; R589-T591 PolarHBondContact O-N 3.29Å | ||
| 590 | V | 63.5 | Low | 63.1 | Low | 45 Ų | 45 | 104.5 Ų | 104.5 | 27% | 0.273 | 55% | 0.548 | S | S | . | . | trans | -36.8 | 120.4 | 175.7 | 169.1 | 0 | 0 | 0 | 0 | 111.2 | E588 E595 F832 | E588-V590 PolarHBondContact O-N 3.32Å; V590-E595 HydrophobicContact CG1-CB 3.6Å; V590-F832 HydrophobicContact CB-CZ 4.03Å; V590-F832 HydrophobicContact CG1-CE1 4.31Å; V590-F832 HydrophobicContact CG1-CZ 3.84Å | ||
| 591 | T | 74.4 | Confident | 66.1 | Low | 107 Ų | 107 | 98.1 Ų | 98.1 | 66% | 0.656 | 52% | 0.521 | S | S | * | . | trans | -106.1 | -29.6 | -168.9 | 64.7 | 0 | 0 | 0 | 0 | 113.1 | R589 E595 | R589-T591 WeakPolarHBondContact O-CG2 3.27Å; R589-T591 PolarHBondContact O-N 3.29Å; T591-E595 PolarHBondContact N-OE2 3.39Å; T591-E595 PolarHBondContact OG1-OE2 2.82Å | ||
| 592 | T | 90 | Very high | 68.5 | Low | 58 Ų | 58 | 99.4 Ų | 99.4 | 36% | 0.356 | 51% | 0.51 | S | S | . | . | S | Bend | trans | -105.3 | 156 | -172 | 68.7 | 0 | 0 | 0 | 0 | 112.9 | E595 S596 | T592-E595 WeakPolarHBondContact CB-OE2 3.37Å; T592-E595 PolarHBondContact N-OE2 2.84Å; T592-E595 WeakPolarHBondContact OG1-CB 3.44Å; T592-E595 WeakPolarHBondContact OG1-CG 3.4Å; T592-E595 PolarHBondContact OG1-N 3.42Å; T592-E595 PolarHBondContact OG1-OE2 2.99Å; T592-S596 PolarHBondContact O-N 3.01Å |
| 593 | L | 91.6 | Very high | 70.7 | Confident | 23 Ų | 23 | 90.6 Ų | 90.6 | 12% | 0.12 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -59.5 | -45.4 | 170.6 | 172.8 | 59.6 | 0 | 0 | 0 | 111.7 | E595 S596 M597 I825 R829 V831 Y865 | L593-E595 PolarHBondContact O-N 3Å; L593-S596 PolarHBondContact O-N 3.13Å; L593-S596 VanDerWaalsContact O-N 3.12Å; L593-S596 PolarHBondContact O-OG 2.95Å; L593-M597 HydrophobicContact CD1-CE 4.2Å; L593-M597 HydrophobicContact CD1-CG 3.86Å; L593-M597 HydrophobicContact CD1-SD 4.39Å; L593-M597 HydrophobicContact CG-CG 4.35Å; L593-M597 WeakPolarHBondContact O-CG 3.25Å; L593-M597 PolarHBondContact O-N 2.78Å; L593-I825 HydrophobicContact CD1-CG1 3.99Å; L593-I825 HydrophobicContact CD2-CB 4.44Å; L593-I825 HydrophobicContact CD2-CG1 4.45Å; L593-I825 HydrophobicContact CD2-CG2 4.17Å; L593-R829 WeakPolarHBondContact CD1-O 3.33Å; L593-V831 HydrophobicContact CD1-CG2 4.06Å; L593-Y865 HydrophobicContact CD1-CD2 4.32Å; L593-Y865 HydrophobicContact CD1-CE2 4.29Å; L593-Y865 HydrophobicContact CD2-CD2 4.02Å; L593-Y865 HydrophobicContact CD2-CE2 3.66Å; L593-Y865 HydrophobicContact CG-CD2 4.09Å; L593-Y865 HydrophobicContact CG-CE2 3.61Å |
| 594 | E | 92.9 | Very high | 73.1 | Confident | 91 Ų | 91 | 87.4 Ų | 87.4 | 43% | 0.425 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -59.7 | -44.9 | -178 | -168.6 | -168.7 | 155.7 | 0 | 0 | 112.6 | S596 M597 K598 | E594-S596 PolarHBondContact O-N 3.48Å; E594-M597 PolarHBondContact O-N 3.02Å; E594-K598 HydrophobicContact CG-CD 4.29Å; E594-K598 WeakPolarHBondContact O-CB 3.47Å; E594-K598 WeakPolarHBondContact O-CG 3.49Å; E594-K598 PolarHBondContact O-N 3.38Å; E594-K598 VanDerWaalsContact OE1-CE 3.26Å; E594-K598 WeakPolarHBondContact OE1-CE 3.49Å; E594-K598 IonicContact OE1-NZ 3.63Å; E594-K598 PolarHBondContact OE1-NZ 2.98Å |
| 595 | E | 90.7 | Very high | 74.9 | Confident | 84 Ų | 84 | 87.4 Ų | 87.4 | 39% | 0.393 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -59.7 | -44.2 | 173.9 | -72.3 | 162.7 | 147.6 | 0 | 0 | 111.7 | V590 T591 T592 L593 M597 K598 Q599 | V590-E595 HydrophobicContact CG1-CB 3.6Å; T591-E595 PolarHBondContact N-OE2 3.39Å; T591-E595 PolarHBondContact OG1-OE2 2.82Å; T592-E595 WeakPolarHBondContact CB-OE2 3.37Å; T592-E595 PolarHBondContact N-OE2 2.84Å; T592-E595 WeakPolarHBondContact OG1-CB 3.44Å; T592-E595 WeakPolarHBondContact OG1-CG 3.4Å; T592-E595 PolarHBondContact OG1-N 3.42Å; T592-E595 PolarHBondContact OG1-OE2 2.99Å; L593-E595 PolarHBondContact O-N 3Å; E595-M597 VanDerWaalsContact C-N 3.32Å; E595-M597 PolarHBondContact O-N 2.93Å; E595-K598 PolarHBondContact O-N 3.33Å; E595-Q599 WeakPolarHBondContact O-CB 3.4Å; E595-Q599 PolarHBondContact O-N 2.82Å |
| 596 | S | 94.4 | Very high | 76.8 | Confident | 1 Ų | 1 | 87.6 Ų | 87.6 | 1% | 0.007 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -65.3 | -34.3 | 178.4 | 75.9 | 0 | 0 | 0 | 0 | 112.5 | T592 L593 E594 Q599 L600 P830 V831 | T592-S596 PolarHBondContact O-N 3.01Å; L593-S596 PolarHBondContact O-N 3.13Å; L593-S596 VanDerWaalsContact O-N 3.12Å; L593-S596 PolarHBondContact O-OG 2.95Å; E594-S596 PolarHBondContact O-N 3.48Å; S596-Q599 PolarHBondContact O-N 2.92Å; S596-L600 VanDerWaalsContact O-CB 3.3Å; S596-L600 WeakPolarHBondContact O-CB 3.28Å; S596-L600 PolarHBondContact O-N 2.94Å; S596-P830 WeakPolarHBondContact OG-CA 3.45Å; S596-V831 PolarHBondContact OG-N 2.71Å; S596-V831 VanDerWaalsContact OG-N 3.08Å |
| 597 | M | 96.4 | Very high | 78.6 | Confident | 3 Ų | 3 | 80.1 Ų | 80.1 | 2% | 0.015 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -72.3 | -40.2 | 175.1 | -66.5 | -67.2 | 100.1 | 0 | 0 | 112.1 | L593 E594 E595 Q599 L600 E601 V831 I861 L862 Y865 | L593-M597 HydrophobicContact CD1-CE 4.2Å; L593-M597 HydrophobicContact CD1-CG 3.86Å; L593-M597 HydrophobicContact CD1-SD 4.39Å; L593-M597 HydrophobicContact CG-CG 4.35Å; L593-M597 WeakPolarHBondContact O-CG 3.25Å; L593-M597 PolarHBondContact O-N 2.78Å; E594-M597 PolarHBondContact O-N 3.02Å; E595-M597 VanDerWaalsContact C-N 3.32Å; E595-M597 PolarHBondContact O-N 2.93Å; M597-Q599 VanDerWaalsContact C-N 3.3Å; M597-Q599 PolarHBondContact O-N 3.21Å; M597-L600 HydrophobicContact CE-CB 4.47Å; M597-L600 HydrophobicContact CE-CD2 3.66Å; M597-L600 WeakPolarHBondContact O-CB 3.13Å; M597-L600 PolarHBondContact O-N 2.92Å; M597-L600 HydrophobicContact SD-CD2 4.1Å; M597-E601 WeakPolarHBondContact O-CB 3.24Å; M597-E601 PolarHBondContact O-N 3.23Å; M597-V831 HydrophobicContact CE-CB 3.69Å; M597-V831 HydrophobicContact CE-CG1 4.42Å; M597-V831 HydrophobicContact CE-CG2 4.18Å; M597-I861 HydrophobicContact CE-CG2 3.96Å; M597-I861 HydrophobicContact SD-CG2 4.17Å; M597-L862 HydrophobicContact CB-CD1 4.48Å; M597-Y865 HydrophobicContact CB-CD1 3.81Å; M597-Y865 HydrophobicContact CB-CE1 3.84Å; M597-Y865 HydrophobicContact CB-CG 4.21Å; M597-Y865 HydrophobicContact CG-CD1 3.63Å; M597-Y865 HydrophobicContact CG-CD2 3.63Å; M597-Y865 HydrophobicContact CG-CE1 3.87Å; M597-Y865 HydrophobicContact CG-CE2 3.85Å; M597-Y865 HydrophobicContact CG-CG 3.5Å; M597-Y865 HydrophobicContact SD-CD1 4.23Å; M597-Y865 HydrophobicContact SD-CD2 4.12Å; M597-Y865 HydrophobicContact SD-CG 3.74Å |
| 598 | K | 91.1 | Very high | 80.3 | Confident | 102 Ų | 102 | 75 Ų | 75 | 44% | 0.443 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.9 | -35.8 | 171 | -75.4 | 169.3 | 168.6 | 172.9 | 0 | 112.1 | E594 E595 R602 | E594-K598 HydrophobicContact CG-CD 4.29Å; E594-K598 WeakPolarHBondContact O-CB 3.47Å; E594-K598 WeakPolarHBondContact O-CG 3.49Å; E594-K598 PolarHBondContact O-N 3.38Å; E594-K598 VanDerWaalsContact OE1-CE 3.26Å; E594-K598 WeakPolarHBondContact OE1-CE 3.49Å; E594-K598 IonicContact OE1-NZ 3.63Å; E594-K598 PolarHBondContact OE1-NZ 2.98Å; E595-K598 PolarHBondContact O-N 3.33Å; K598-R602 WeakPolarHBondContact O-CG 3.38Å; K598-R602 PolarHBondContact O-N 3.41Å |
| 599 | Q | 89.1 | Confident | 82 | Confident | 89 Ų | 89 | 67.6 Ų | 67.6 | 42% | 0.416 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -70.6 | -41.7 | 173.4 | -173.6 | 179.4 | 5.3 | 0 | 0 | 111.9 | E595 S596 M597 G603 | E595-Q599 WeakPolarHBondContact O-CB 3.4Å; E595-Q599 PolarHBondContact O-N 2.82Å; S596-Q599 PolarHBondContact O-N 2.92Å; M597-Q599 VanDerWaalsContact C-N 3.3Å; M597-Q599 PolarHBondContact O-N 3.21Å; Q599-G603 PolarHBondContact O-N 3.09Å |
| 600 | L | 91.8 | Very high | 82.9 | Confident | 6 Ų | 6 | 58 Ų | 58 | 3% | 0.031 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -58.4 | -49.2 | 175.1 | 177.8 | 58.4 | 0 | 0 | 0 | 111.2 | S596 M597 G603 I604 L609 P833 C858 I861 L862 | S596-L600 VanDerWaalsContact O-CB 3.3Å; S596-L600 WeakPolarHBondContact O-CB 3.28Å; S596-L600 PolarHBondContact O-N 2.94Å; M597-L600 HydrophobicContact CE-CB 4.47Å; M597-L600 HydrophobicContact CE-CD2 3.66Å; M597-L600 WeakPolarHBondContact O-CB 3.13Å; M597-L600 PolarHBondContact O-N 2.92Å; M597-L600 HydrophobicContact SD-CD2 4.1Å; L600-G603 PolarHBondContact O-N 2.78Å; L600-G603 VanDerWaalsContact O-N 3.15Å; L600-I604 HydrophobicContact CD1-CD1 4.14Å; L600-I604 HydrophobicContact CD1-CG1 4.4Å; L600-I604 HydrophobicContact CG-CD1 4.14Å; L600-I604 WeakPolarHBondContact O-CG1 3.38Å; L600-I604 PolarHBondContact O-N 2.77Å; L600-L609 HydrophobicContact CD1-CD1 3.64Å; L600-P833 HydrophobicContact CD1-CG 3.97Å; L600-C858 HydrophobicContact CD1-CB 3.79Å; L600-I861 HydrophobicContact CD2-CB 4.21Å; L600-I861 HydrophobicContact CD2-CG2 3.65Å; L600-L862 HydrophobicContact CD2-CB 4.26Å |
| 601 | E | 92.7 | Very high | 83.2 | Confident | 56 Ų | 56 | 61.9 Ų | 61.9 | 26% | 0.262 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.9 | -51.2 | 178.3 | 179 | 151.2 | -138.9 | 0 | 0 | 112.6 | M597 G603 I604 Q605 L862 K866 | M597-E601 WeakPolarHBondContact O-CB 3.24Å; M597-E601 PolarHBondContact O-N 3.23Å; E601-G603 PolarHBondContact O-N 3.13Å; E601-I604 PolarHBondContact O-N 2.84Å; E601-Q605 WeakPolarHBondContact O-CG 3.29Å; E601-Q605 PolarHBondContact O-N 3.32Å; E601-L862 HydrophobicContact CB-CD1 4.12Å; E601-L862 HydrophobicContact CB-CD2 3.74Å; E601-L862 HydrophobicContact CG-CD2 4Å; E601-K866 VanDerWaalsContact CD-NZ 3.26Å; E601-K866 IonicContact OE1-NZ 3.7Å; E601-K866 PolarHBondContact OE1-NZ 3.07Å; E601-K866 IonicContact OE2-NZ 2.65Å; E601-K866 PolarHBondContact OE2-NZ 3.1Å |
| 602 | R | 81.9 | Confident | 83.1 | Confident | 152 Ų | 152 | 61.5 Ų | 61.5 | 57% | 0.574 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -59.5 | -36 | 174.1 | -69.8 | -171.5 | -57.1 | -104 | 4.8 | 112.1 | K598 S606 | K598-R602 WeakPolarHBondContact O-CG 3.38Å; K598-R602 PolarHBondContact O-N 3.41Å; R602-S606 VanDerWaalsContact O-CB 3.28Å; R602-S606 WeakPolarHBondContact O-CB 3.4Å; R602-S606 PolarHBondContact O-N 3.33Å; R602-S606 PolarHBondContact O-OG 3.15Å |
| 603 | G | 73.4 | Confident | 83 | Confident | 6 Ų | 6 | 59 Ų | 59 | 6% | 0.062 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -70.7 | -30.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q599 L600 E601 T608 L609 | Q599-G603 PolarHBondContact O-N 3.09Å; L600-G603 PolarHBondContact O-N 2.78Å; L600-G603 VanDerWaalsContact O-N 3.15Å; E601-G603 PolarHBondContact O-N 3.13Å; G603-T608 PolarHBondContact O-N 3.38Å; G603-L609 WeakPolarHBondContact O-CB 3.5Å; G603-L609 PolarHBondContact O-N 2.77Å; G603-L609 VanDerWaalsContact O-N 3.11Å |
| 604 | I | 83.1 | Confident | 82.3 | Confident | 42 Ų | 42 | 62.6 Ų | 62.6 | 22% | 0.215 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -72.1 | -55.5 | 169.5 | -65 | 160.3 | 0 | 0 | 0 | 109.1 | L600 E601 S606 G607 L609 C858 E859 L862 | L600-I604 HydrophobicContact CD1-CD1 4.14Å; L600-I604 HydrophobicContact CD1-CG1 4.4Å; L600-I604 HydrophobicContact CG-CD1 4.14Å; L600-I604 WeakPolarHBondContact O-CG1 3.38Å; L600-I604 PolarHBondContact O-N 2.77Å; E601-I604 PolarHBondContact O-N 2.84Å; I604-S606 VanDerWaalsContact C-N 3.29Å; I604-S606 PolarHBondContact O-N 3.3Å; I604-G607 PolarHBondContact O-N 2.95Å; I604-L609 HydrophobicContact CG1-CD1 4.41Å; I604-C858 HydrophobicContact CD1-CB 3.95Å; I604-C858 HydrophobicContact CG1-CB 4.06Å; I604-E859 HydrophobicContact CD1-CG 4.2Å; I604-E859 HydrophobicContact CG2-CG 4.34Å; I604-L862 HydrophobicContact CD1-CD2 4.12Å |
| 605 | Q | 77.8 | Confident | 81.7 | Confident | 141 Ų | 141 | 63.5 Ų | 63.5 | 66% | 0.659 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -58.6 | -35.5 | -175.7 | -70 | 171.3 | -1.5 | 0 | 0 | 113.7 | E601 | E601-Q605 WeakPolarHBondContact O-CG 3.29Å; E601-Q605 PolarHBondContact O-N 3.32Å |
| 606 | S | 69.1 | Low | 81.4 | Confident | 73 Ų | 73 | 60.8 Ų | 60.8 | 51% | 0.51 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -3.4 | 177.4 | 60.5 | 0 | 0 | 0 | 0 | 114.4 | R602 I604 T608 | R602-S606 VanDerWaalsContact O-CB 3.28Å; R602-S606 WeakPolarHBondContact O-CB 3.4Å; R602-S606 PolarHBondContact O-N 3.33Å; R602-S606 PolarHBondContact O-OG 3.15Å; I604-S606 VanDerWaalsContact C-N 3.29Å; I604-S606 PolarHBondContact O-N 3.3Å; S606-T608 PolarHBondContact O-N 2.91Å; S606-T608 WeakPolarHBondContact OG-CG2 3.36Å; S606-T608 PolarHBondContact OG-OG1 3.24Å |
| 607 | G | 69.9 | Low | 81.1 | Confident | 33 Ų | 33 | 64 Ų | 64 | 34% | 0.34 | 32% | 0.317 | S | S | . | . | S | Bend | trans | 67.1 | -6.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | I604 L609 S610 F611 | I604-G607 PolarHBondContact O-N 2.95Å; G607-L609 VanDerWaalsContact C-N 3.3Å; G607-L609 PolarHBondContact O-N 2.97Å; G607-S610 WeakPolarHBondContact O-CA 3.46Å; G607-S610 VanDerWaalsContact O-CB 3.29Å; G607-S610 WeakPolarHBondContact O-CB 3.28Å; G607-S610 PolarHBondContact O-N 2.75Å; G607-F611 PolarHBondContact O-N 3.3Å; G607-F611 VanDerWaalsContact O-N 3.14Å |
| 608 | T | 73.1 | Confident | 80.8 | Confident | 63 Ų | 63 | 70.5 Ų | 70.5 | 39% | 0.387 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.2 | -34.1 | -173.5 | 52.8 | 0 | 0 | 0 | 0 | 113.4 | G603 S606 S610 F611 H612 | G603-T608 PolarHBondContact O-N 3.38Å; S606-T608 PolarHBondContact O-N 2.91Å; S606-T608 WeakPolarHBondContact OG-CG2 3.36Å; S606-T608 PolarHBondContact OG-OG1 3.24Å; T608-S610 VanDerWaalsContact C-N 3.33Å; T608-S610 PolarHBondContact O-N 3.25Å; T608-F611 PolarHBondContact O-N 3.41Å; T608-H612 VanDerWaalsContact O-CG 3.3Å; T608-H612 PolarHBondContact O-N 3Å |
| 609 | L | 77.3 | Confident | 80.9 | Confident | 26 Ų | 26 | 71.5 Ų | 71.5 | 14% | 0.136 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66.4 | -34.1 | 173.7 | -75 | 175.9 | 0 | 0 | 0 | 112.8 | L600 G603 I604 G607 F613 L834 F854 | L600-L609 HydrophobicContact CD1-CD1 3.64Å; G603-L609 WeakPolarHBondContact O-CB 3.5Å; G603-L609 PolarHBondContact O-N 2.77Å; G603-L609 VanDerWaalsContact O-N 3.11Å; I604-L609 HydrophobicContact CG1-CD1 4.41Å; G607-L609 VanDerWaalsContact C-N 3.3Å; G607-L609 PolarHBondContact O-N 2.97Å; L609-F613 WeakPolarHBondContact O-CB 3.4Å; L609-F613 PolarHBondContact O-N 3.3Å; L609-L834 HydrophobicContact CD2-CD1 3.6Å; L609-L834 HydrophobicContact CD2-CG 4.11Å; L609-F854 HydrophobicContact CB-CE1 4.21Å; L609-F854 WeakPolarHBondContact O-CE1 3.3Å |
| 610 | S | 77.2 | Confident | 81.1 | Confident | 16 Ų | 16 | 70.7 Ų | 70.7 | 11% | 0.112 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -67.5 | -45 | 175.8 | -58.5 | 0 | 0 | 0 | 0 | 110.3 | G607 T608 H612 F613 E614 Q855 | G607-S610 WeakPolarHBondContact O-CA 3.46Å; G607-S610 VanDerWaalsContact O-CB 3.29Å; G607-S610 WeakPolarHBondContact O-CB 3.28Å; G607-S610 PolarHBondContact O-N 2.75Å; T608-S610 VanDerWaalsContact C-N 3.33Å; T608-S610 PolarHBondContact O-N 3.25Å; S610-H612 PolarHBondContact O-N 2.95Å; S610-F613 PolarHBondContact O-N 2.98Å; S610-E614 PolarHBondContact O-N 2.67Å; S610-Q855 PolarHBondContact OG-NE2 3.01Å |
| 611 | F | 69.6 | Low | 81.1 | Confident | 128 Ų | 128 | 75.2 Ų | 75.2 | 56% | 0.561 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -60 | -44.4 | 174.3 | 175.9 | -101.7 | 0 | 0 | 0 | 112.4 | G607 T608 F613 E614 N615 | G607-F611 PolarHBondContact O-N 3.3Å; G607-F611 VanDerWaalsContact O-N 3.14Å; T608-F611 PolarHBondContact O-N 3.41Å; F611-F613 PolarHBondContact O-N 3.49Å; F611-E614 PolarHBondContact O-N 2.75Å; F611-N615 VanDerWaalsContact CE2-ND2 3.31Å; F611-N615 WeakPolarHBondContact CE2-ND2 3.48Å; F611-N615 WeakPolarHBondContact CZ-ND2 3.21Å; F611-N615 PolarHBondContact O-N 2.66Å; F611-N615 VanDerWaalsContact O-N 3.14Å; F611-N615 PolarHBondContact O-ND2 2.82Å |
| 612 | H | 72.3 | Confident | 81.1 | Confident | 98 Ų | 98 | 76.7 Ų | 76.7 | 45% | 0.454 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -66 | -34.9 | 175.8 | -68.2 | 162 | 0 | 0 | 0 | 113 | T608 S610 L616 L834 | T608-H612 VanDerWaalsContact O-CG 3.3Å; T608-H612 PolarHBondContact O-N 3Å; S610-H612 PolarHBondContact O-N 2.95Å; H612-L616 WeakPolarHBondContact O-CB 3.38Å; H612-L616 PolarHBondContact O-N 3.11Å; H612-L834 HydrophobicContact CB-CD1 3.59Å; H612-L834 HydrophobicContact CB-CD2 4.16Å |
| 613 | F | 87.3 | Confident | 81.7 | Confident | 7 Ų | 7 | 71.3 Ų | 71.3 | 3% | 0.031 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -68.2 | -38.6 | 174.6 | 168.8 | -90 | 0 | 0 | 0 | 112.9 | L609 S610 F611 N615 L616 L834 V837 V848 T851 F854 | L609-F613 WeakPolarHBondContact O-CB 3.4Å; L609-F613 PolarHBondContact O-N 3.3Å; S610-F613 PolarHBondContact O-N 2.98Å; F611-F613 PolarHBondContact O-N 3.49Å; F613-N615 VanDerWaalsContact C-N 3.33Å; F613-L616 WeakPolarHBondContact O-CB 3.44Å; F613-L616 PolarHBondContact O-N 3.47Å; F613-L834 HydrophobicContact CB-CD2 3.89Å; F613-V837 HydrophobicContact CD2-CG1 4.43Å; F613-V837 HydrophobicContact CE2-CG1 4.16Å; F613-V848 HydrophobicContact CE2-CB 4.03Å; F613-V848 HydrophobicContact CE2-CG1 3.65Å; F613-V848 HydrophobicContact CZ-CB 4.39Å; F613-V848 HydrophobicContact CZ-CG1 3.81Å; F613-V848 WeakPolarHBondContact CZ-O 3.16Å; F613-T851 HydrophobicContact CD1-CG2 4.4Å; F613-F854 HydrophobicContact CB-CD1 3.46Å; F613-F854 VanDerWaalsContact CB-CD1 3.46Å; F613-F854 HydrophobicContact CB-CE1 3.67Å; F613-F854 HydrophobicContact CB-CG 3.97Å; F613-F854 HydrophobicContact CB-CZ 4.34Å; F613-F854 HydrophobicContact CD1-CB 4.05Å; F613-F854 HydrophobicContact CD1-CD1 4.37Å; F613-F854 HydrophobicContact CD1-CG 4.3Å; F613-F854 HydrophobicContact CD2-CB 3.63Å; F613-F854 AromaticContact CD2-CD1 3.79Å; F613-F854 HydrophobicContact CD2-CD1 3.79Å; F613-F854 AromaticContact CD2-CD2 3.49Å; F613-F854 HydrophobicContact CD2-CD2 3.49Å; F613-F854 VanDerWaalsContact CD2-CD2 3.49Å; F613-F854 HydrophobicContact CD2-CE1 4.34Å; F613-F854 HydrophobicContact CD2-CE2 4.08Å; F613-F854 AromaticContact CD2-CG 3.32Å; F613-F854 HydrophobicContact CD2-CG 3.32Å; F613-F854 HydrophobicContact CD2-CZ 4.48Å; F613-F854 HydrophobicContact CE1-CB 4.1Å; F613-F854 HydrophobicContact CE2-CB 3.65Å; F613-F854 AromaticContact CE2-CD2 3.91Å; F613-F854 HydrophobicContact CE2-CD2 3.91Å; F613-F854 AromaticContact CE2-CG 3.82Å; F613-F854 HydrophobicContact CE2-CG 3.82Å; F613-F854 HydrophobicContact CG-CB 3.82Å; F613-F854 AromaticContact CG-CD1 3.61Å; F613-F854 HydrophobicContact CG-CD1 3.61Å; F613-F854 HydrophobicContact CG-CD2 4.2Å; F613-F854 HydrophobicContact CG-CE1 4.23Å; F613-F854 AromaticContact CG-CG 3.59Å; F613-F854 HydrophobicContact CG-CG 3.59Å; F613-F854 HydrophobicContact CZ-CB 3.9Å |
| 614 | E | 77.5 | Confident | 82.7 | Confident | 98 Ų | 98 | 73.6 Ų | 73.6 | 46% | 0.458 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -67.6 | -33.3 | 176.6 | -75.1 | -174.4 | -160.5 | 0 | 0 | 112.3 | K489 S610 F611 T851 | K489-E614 IonicContact NZ-OE2 2.87Å; S610-E614 PolarHBondContact O-N 2.67Å; F611-E614 PolarHBondContact O-N 2.75Å; E614-T851 HydrophobicContact CG-CG2 4.41Å; E614-T851 WeakPolarHBondContact CG-OG1 3.14Å; E614-T851 WeakPolarHBondContact OE1-CG2 3.06Å; E614-T851 PolarHBondContact OE1-OG1 3.09Å |
| 615 | N | 79.6 | Confident | 83.3 | Confident | 110 Ų | 110 | 72.4 Ų | 72.4 | 59% | 0.588 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -83.6 | -14.5 | 174.2 | -71.9 | -78.6 | 0 | 0 | 0 | 114 | F611 F613 Y617 | F611-N615 VanDerWaalsContact CE2-ND2 3.31Å; F611-N615 WeakPolarHBondContact CE2-ND2 3.48Å; F611-N615 WeakPolarHBondContact CZ-ND2 3.21Å; F611-N615 PolarHBondContact O-N 2.66Å; F611-N615 VanDerWaalsContact O-N 3.14Å; F611-N615 PolarHBondContact O-ND2 2.82Å; F613-N615 VanDerWaalsContact C-N 3.33Å; N615-Y617 PolarHBondContact O-N 2.69Å |
| 616 | L | 84.9 | Confident | 84.2 | Confident | 26 Ų | 26 | 69 Ų | 69 | 14% | 0.136 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -65.5 | 128.8 | 174.4 | 178.4 | 64 | 0 | 0 | 0 | 109.8 | H612 F613 K618 V837 K838 R841 | H612-L616 WeakPolarHBondContact O-CB 3.38Å; H612-L616 PolarHBondContact O-N 3.11Å; F613-L616 WeakPolarHBondContact O-CB 3.44Å; F613-L616 PolarHBondContact O-N 3.47Å; L616-K618 PolarHBondContact O-N 3.5Å; L616-V837 HydrophobicContact CD2-CB 4.37Å; L616-V837 HydrophobicContact CD2-CG1 3.9Å; L616-K838 HydrophobicContact CD1-CB 4.07Å; L616-K838 HydrophobicContact CD1-CD 4.45Å; L616-K838 HydrophobicContact CD1-CG 4.1Å; L616-K838 HydrophobicContact CD2-CB 4.21Å; L616-R841 PolarHBondContact O-NH1 2.86Å |
| 617 | Y | 88.2 | Confident | 85.5 | Confident | 69 Ų | 69 | 66 Ų | 66 | 27% | 0.271 | 36% | 0.364 | S | S | . | . | trans | -51.9 | 136 | -178 | 53.6 | -97.8 | 0 | 0 | 0 | 112.3 | N615 K620 K838 R841 D842 | N615-Y617 PolarHBondContact O-N 2.69Å; Y617-K620 HydrophobicContact CD2-CB 4.47Å; Y617-K620 HydrophobicContact CE2-CB 4.01Å; Y617-K620 HydrophobicContact CE2-CG 4.22Å; Y617-K838 HydrophobicContact CE1-CG 4.46Å; Y617-K838 WeakPolarHBondContact OH-CG 3.45Å; Y617-R841 WeakPolarHBondContact O-CD 3.45Å; Y617-R841 PolarHBondContact O-NH1 2.78Å; Y617-R841 VanDerWaalsContact O-NH1 3.1Å; Y617-D842 VanDerWaalsContact CE2-OD1 3.25Å; Y617-D842 WeakPolarHBondContact CE2-OD1 3.36Å; Y617-D842 VanDerWaalsContact CZ-OD1 3.31Å; Y617-D842 PolarHBondContact OH-OD1 3.09Å | ||
| 618 | K | 90.4 | Very high | 86.7 | Confident | 139 Ų | 139 | 64.5 Ų | 64.5 | 60% | 0.604 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -76.8 | -24.7 | 176.9 | -72.5 | -176.5 | -179.8 | 179.3 | 0 | 112.6 | L616 M846 | L616-K618 PolarHBondContact O-N 3.5Å; K618-M846 HydrophobicContact CB-CG 4.16Å; K618-M846 WeakPolarHBondContact O-CA 3.36Å; K618-M846 PolarHBondContact O-N 2.87Å |
| 619 | R | 92.9 | Very high | 87.8 | Confident | 124 Ų | 124 | 68.4 Ų | 68.4 | 47% | 0.468 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -142.5 | 135.5 | 177.3 | -176 | -173.1 | 64.5 | 174.9 | -1.7 | 108.2 | Y645 A845 | R619-Y645 HydrophobicContact CG-CE1 3.6Å; R619-Y645 WeakPolarHBondContact CG-OH 3.31Å; R619-A845 HydrophobicContact CB-CB 4.22Å; R619-A845 HydrophobicContact CG-CB 4.07Å |
| 620 | K | 93.6 | Very high | 88.7 | Confident | 71 Ų | 71 | 71 Ų | 71 | 31% | 0.309 | 37% | 0.367 | S | S | . | . | trans | -64 | 129 | 177.4 | -165.6 | -176.2 | -167.1 | 161 | 0 | 109.8 | Y617 L623 Y645 D842 | Y617-K620 HydrophobicContact CD2-CB 4.47Å; Y617-K620 HydrophobicContact CE2-CB 4.01Å; Y617-K620 HydrophobicContact CE2-CG 4.22Å; K620-L623 HydrophobicContact CB-CD1 3.89Å; K620-L623 HydrophobicContact CB-CG 4.07Å; K620-L623 HydrophobicContact CD-CD1 3.74Å; K620-L623 HydrophobicContact CD-CD2 4.37Å; K620-L623 HydrophobicContact CD-CG 3.92Å; K620-L623 HydrophobicContact CG-CD1 4.34Å; K620-L623 HydrophobicContact CG-CG 4.31Å; K620-Y645 PolarHBondContact N-OH 2.89Å; K620-D842 HydrophobicContact CD-CB 4.15Å; K620-D842 WeakPolarHBondContact CD-OD1 3.39Å; K620-D842 VanDerWaalsContact CE-OD2 3.22Å; K620-D842 WeakPolarHBondContact CE-OD2 3.49Å; K620-D842 IonicContact NZ-OD1 3.48Å; K620-D842 IonicContact NZ-OD2 3.42Å; K620-D842 PolarHBondContact NZ-OD2 2.74Å | ||
| 621 | P | 91.1 | Very high | 89.6 | Confident | 101 Ų | 101 | 75.1 Ų | 75.1 | 66% | 0.656 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | 145.9 | 170.8 | -23.2 | 34.6 | 0 | 0 | 0 | 111.5 | L623 | P621-L623 VanDerWaalsContact C-N 3.34Å; P621-L623 PolarHBondContact O-N 2.72Å |
| 622 | G | 92.1 | Very high | 90.8 | Very high | 87 Ų | 87 | 74.8 Ų | 74.8 | 90% | 0.897 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.2 | -19.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 623 | L | 94.8 | Very high | 92 | Very high | 40 Ų | 40 | 70.4 Ų | 70.4 | 21% | 0.209 | 37% | 0.373 | C | S | . | . | trans | -80.3 | 138.6 | 177.8 | -58.5 | -170.1 | 0 | 0 | 0 | 112.5 | K620 P621 Y645 D842 | K620-L623 HydrophobicContact CB-CD1 3.89Å; K620-L623 HydrophobicContact CB-CG 4.07Å; K620-L623 HydrophobicContact CD-CD1 3.74Å; K620-L623 HydrophobicContact CD-CD2 4.37Å; K620-L623 HydrophobicContact CD-CG 3.92Å; K620-L623 HydrophobicContact CG-CD1 4.34Å; K620-L623 HydrophobicContact CG-CG 4.31Å; P621-L623 VanDerWaalsContact C-N 3.34Å; P621-L623 PolarHBondContact O-N 2.72Å; L623-Y645 HydrophobicContact CB-CD1 3.44Å; L623-Y645 VanDerWaalsContact CB-CD1 3.44Å; L623-Y645 HydrophobicContact CB-CE1 3.68Å; L623-Y645 HydrophobicContact CB-CG 4.02Å; L623-Y645 HydrophobicContact CD1-CD1 3.89Å; L623-Y645 HydrophobicContact CD1-CD2 3.71Å; L623-Y645 HydrophobicContact CD1-CE1 3.9Å; L623-Y645 HydrophobicContact CD1-CE2 3.74Å; L623-Y645 HydrophobicContact CD1-CG 3.79Å; L623-Y645 HydrophobicContact CG-CD1 4.33Å; L623-Y645 HydrophobicContact CG-CE1 4.37Å; L623-D842 VanDerWaalsContact CD1-O 3.31Å; L623-D842 WeakPolarHBondContact CD1-O 3.23Å | ||
| 624 | S | 95.6 | Very high | 92.4 | Very high | 53 Ų | 53 | 75.3 Ų | 75.3 | 37% | 0.371 | 40% | 0.396 | S | S | . | . | trans | -86.1 | 156.7 | -176.4 | -174.5 | 0 | 0 | 0 | 0 | 113.3 | S626 Y645 D646 | S624-S626 PolarHBondContact OG-N 3.43Å; S624-Y645 VanDerWaalsContact O-CA 3.3Å; S624-Y645 WeakPolarHBondContact O-CA 3.46Å; S624-D646 WeakPolarHBondContact CB-OD2 3.28Å; S624-D646 PolarHBondContact O-N 2.97Å; S624-D646 PolarHBondContact OG-OD2 2.93Å | ||
| 625 | L | 95.6 | Very high | 93.3 | Very high | 18 Ų | 18 | 78.1 Ų | 78.1 | 9% | 0.094 | 41% | 0.41 | C | S | . | . | trans | -135.7 | 27.3 | 179.6 | -57.5 | 174.9 | 0 | 0 | 0 | 110.8 | R629 L643 P644 Y645 D646 | L625-R629 VanDerWaalsContact O-CD 3.3Å; L625-R629 WeakPolarHBondContact O-CD 3.47Å; L625-R629 VanDerWaalsContact O-CG 3.23Å; L625-R629 WeakPolarHBondContact O-CG 3.4Å; L625-L643 HydrophobicContact CD2-CB 4.29Å; L625-P644 WeakPolarHBondContact CD2-O 3.39Å; L625-Y645 HydrophobicContact CD2-CD1 3.67Å; L625-Y645 HydrophobicContact CD2-CE1 4.23Å; L625-Y645 HydrophobicContact CD2-CG 4.47Å; L625-D646 PolarHBondContact N-OD2 3.29Å | ||
| 626 | S | 95.4 | Very high | 94.1 | Very high | 70 Ų | 70 | 73.8 Ų | 73.8 | 49% | 0.49 | 39% | 0.385 | S | S | . | . | trans | -72 | -45.4 | -166.5 | 69.1 | 0 | 0 | 0 | 0 | 112.8 | S624 A628 R629 Q630 D646 | S624-S626 PolarHBondContact OG-N 3.43Å; S626-A628 VanDerWaalsContact C-N 3.35Å; S626-A628 PolarHBondContact O-N 2.95Å; S626-R629 PolarHBondContact O-N 3.45Å; S626-R629 VanDerWaalsContact O-N 3.08Å; S626-Q630 PolarHBondContact O-N 3.49Å; S626-D646 VanDerWaalsContact CB-OD2 3.31Å; S626-D646 WeakPolarHBondContact CB-OD2 3.13Å; S626-D646 VanDerWaalsContact N-CG 3.29Å; S626-D646 PolarHBondContact N-OD1 2.76Å; S626-D646 PolarHBondContact N-OD2 2.84Å; S626-D646 PolarHBondContact OG-OD2 3.3Å | ||
| 627 | C | 96.6 | Very high | 94.7 | Very high | 10 Ų | 10 | 73.5 Ų | 73.5 | 7% | 0.068 | 38% | 0.384 | C | S | . | . | G | 310 helix | trans | -63.9 | -42.9 | -178.2 | 176.8 | 0 | 0 | 0 | 0 | 111.1 | R629 Q630 N633 D646 R649 | C627-R629 PolarHBondContact O-N 2.84Å; C627-R629 VanDerWaalsContact O-N 3.09Å; C627-Q630 WeakPolarHBondContact O-CB 3.49Å; C627-Q630 PolarHBondContact O-N 3.16Å; C627-Q630 PolarHBondContact O-OE1 2.94Å; C627-Q630 PolarHBondContact SG-OE1 3.06Å; C627-N633 PolarHBondContact O-ND2 3.05Å; C627-D646 WeakPolarHBondContact CB-OD1 3.39Å; C627-D646 PolarHBondContact N-OD1 2.98Å; C627-R649 VanDerWaalsContact SG-CZ 3.57Å |
| 628 | A | 96.2 | Very high | 95.1 | Very high | 1 Ų | 1 | 72.2 Ų | 72.2 | 1% | 0.008 | 38% | 0.379 | C | S | . | . | G | 310 helix | trans | -64.2 | -13 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | S626 N637 L643 P644 Y658 | S626-A628 VanDerWaalsContact C-N 3.35Å; S626-A628 PolarHBondContact O-N 2.95Å; A628-N637 PolarHBondContact O-ND2 2.65Å; A628-L643 HydrophobicContact CB-CB 3.9Å; A628-L643 HydrophobicContact CB-CD1 4.25Å; A628-L643 HydrophobicContact CB-CD2 4.21Å; A628-L643 HydrophobicContact CB-CG 4.34Å; A628-P644 HydrophobicContact CB-CG 4.16Å; A628-Y658 HydrophobicContact CB-CE2 3.8Å; A628-Y658 VanDerWaalsContact CB-OH 3.31Å; A628-Y658 WeakPolarHBondContact CB-OH 3.24Å |
| 629 | R | 96.4 | Very high | 95.3 | Very high | 145 Ų | 145 | 69.3 Ų | 69.3 | 55% | 0.547 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -106.3 | -9.7 | -179.6 | -71.3 | 174.1 | 170.7 | -156.3 | -9.2 | 114 | L625 S626 C627 Q634 L643 | L625-R629 VanDerWaalsContact O-CD 3.3Å; L625-R629 WeakPolarHBondContact O-CD 3.47Å; L625-R629 VanDerWaalsContact O-CG 3.23Å; L625-R629 WeakPolarHBondContact O-CG 3.4Å; S626-R629 PolarHBondContact O-N 3.45Å; S626-R629 VanDerWaalsContact O-N 3.08Å; C627-R629 PolarHBondContact O-N 2.84Å; C627-R629 VanDerWaalsContact O-N 3.09Å; R629-Q634 PolarHBondContact O-NE2 2.86Å; R629-L643 HydrophobicContact CG-CD1 3.74Å |
| 630 | Q | 96.8 | Very high | 95.3 | Very high | 80 Ų | 80 | 74.7 Ų | 74.7 | 37% | 0.374 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -55.7 | 140.1 | 174.6 | -71.3 | 169.7 | -49.7 | 0 | 0 | 110.5 | S626 C627 E632 N633 Q634 | S626-Q630 PolarHBondContact O-N 3.49Å; C627-Q630 WeakPolarHBondContact O-CB 3.49Å; C627-Q630 PolarHBondContact O-N 3.16Å; C627-Q630 PolarHBondContact O-OE1 2.94Å; C627-Q630 PolarHBondContact SG-OE1 3.06Å; Q630-E632 VanDerWaalsContact C-N 3.3Å; Q630-E632 HydrophobicContact CB-CG 4.5Å; Q630-E632 PolarHBondContact O-N 2.84Å; Q630-N633 HydrophobicContact CB-CB 4.44Å; Q630-N633 WeakPolarHBondContact O-CA 3.34Å; Q630-N633 PolarHBondContact O-N 3.04Å; Q630-N633 PolarHBondContact OE1-ND2 3.29Å; Q630-N633 VanDerWaalsContact OE1-ND2 3.16Å; Q630-Q634 PolarHBondContact O-N 2.8Å |
| 631 | P | 95.9 | Very high | 95.2 | Very high | 102 Ų | 102 | 76.6 Ų | 76.6 | 66% | 0.662 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -51 | -44.3 | -174.7 | -29.1 | 36.3 | 0 | 0 | 0 | 114.2 | N633 Q634 | P631-N633 PolarHBondContact O-N 3.23Å; P631-N633 VanDerWaalsContact O-N 3.14Å; P631-Q634 PolarHBondContact O-N 2.9Å |
| 632 | E | 94.9 | Very high | 95.4 | Very high | 122 Ų | 122 | 72.1 Ų | 72.1 | 57% | 0.57 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -66 | -11.1 | 178.2 | 60.5 | -96.9 | -115.4 | 0 | 0 | 114.8 | Q630 K636 | Q630-E632 VanDerWaalsContact C-N 3.3Å; Q630-E632 HydrophobicContact CB-CG 4.5Å; Q630-E632 PolarHBondContact O-N 2.84Å; E632-K636 VanDerWaalsContact O-CE 3.32Å; E632-K636 WeakPolarHBondContact O-CE 3.31Å; E632-K636 PolarHBondContact O-NZ 3.05Å |
| 633 | N | 97.1 | Very high | 95.7 | Very high | 5 Ų | 5 | 68.4 Ų | 68.4 | 3% | 0.027 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -109.9 | -14 | -177.6 | -69.6 | -25 | 0 | 0 | 0 | 113.2 | C627 Q630 P631 E635 K636 N637 Y658 | C627-N633 PolarHBondContact O-ND2 3.05Å; Q630-N633 HydrophobicContact CB-CB 4.44Å; Q630-N633 WeakPolarHBondContact O-CA 3.34Å; Q630-N633 PolarHBondContact O-N 3.04Å; Q630-N633 PolarHBondContact OE1-ND2 3.29Å; Q630-N633 VanDerWaalsContact OE1-ND2 3.16Å; P631-N633 PolarHBondContact O-N 3.23Å; P631-N633 VanDerWaalsContact O-N 3.14Å; N633-E635 PolarHBondContact O-N 3.39Å; N633-K636 WeakPolarHBondContact O-CB 3.05Å; N633-K636 PolarHBondContact O-N 3.35Å; N633-K636 VanDerWaalsContact O-N 3.14Å; N633-K636 PolarHBondContact OD1-NZ 3.33Å; N633-N637 PolarHBondContact O-ND2 2.59Å; N633-Y658 HydrophobicContact CB-CD1 3.58Å; N633-Y658 HydrophobicContact CB-CE1 3.94Å; N633-Y658 HydrophobicContact CB-CG 3.98Å; N633-Y658 WeakPolarHBondContact OD1-CB 3.46Å |
| 634 | Q | 95.1 | Very high | 95.9 | Very high | 111 Ų | 111 | 66.6 Ų | 66.6 | 52% | 0.519 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.2 | -40.6 | -178.4 | -66 | -172.2 | 22.2 | 0 | 0 | 112.6 | R629 Q630 P631 K636 N637 | R629-Q634 PolarHBondContact O-NE2 2.86Å; Q630-Q634 PolarHBondContact O-N 2.8Å; P631-Q634 PolarHBondContact O-N 2.9Å; Q634-K636 PolarHBondContact O-N 3.44Å; Q634-N637 WeakPolarHBondContact O-CB 3.36Å; Q634-N637 PolarHBondContact O-N 3.01Å; Q634-N637 VanDerWaalsContact O-N 3.15Å |
| 635 | E | 95.4 | Very high | 96 | Very high | 157 Ų | 157 | 64 Ų | 64 | 73% | 0.734 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -10.1 | 178.2 | -59.7 | -168 | 162.7 | 0 | 0 | 114.1 | N633 N637 Q686 | N633-E635 PolarHBondContact O-N 3.39Å; E635-N637 VanDerWaalsContact C-N 3.35Å; E635-Q686 PolarHBondContact O-NE2 2.86Å |
| 636 | K | 97.6 | Very high | 96.1 | Very high | 19 Ų | 19 | 64.7 Ų | 64.7 | 8% | 0.083 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -6.7 | 174 | -59.8 | 169.5 | -172.7 | 151.3 | 0 | 111.5 | E632 N633 Q634 E656 Y658 Q681 T687 | E632-K636 VanDerWaalsContact O-CE 3.32Å; E632-K636 WeakPolarHBondContact O-CE 3.31Å; E632-K636 PolarHBondContact O-NZ 3.05Å; N633-K636 WeakPolarHBondContact O-CB 3.05Å; N633-K636 PolarHBondContact O-N 3.35Å; N633-K636 VanDerWaalsContact O-N 3.14Å; N633-K636 PolarHBondContact OD1-NZ 3.33Å; Q634-K636 PolarHBondContact O-N 3.44Å; K636-E656 WeakPolarHBondContact CE-OE1 3.04Å; K636-E656 VanDerWaalsContact NZ-CD 3.26Å; K636-E656 IonicContact NZ-OE1 3.9Å; K636-E656 PolarHBondContact NZ-OE1 3.11Å; K636-E656 IonicContact NZ-OE2 2.84Å; K636-Y658 HydrophobicContact CB-CD1 4.1Å; K636-Y658 HydrophobicContact CB-CE1 4.12Å; K636-Y658 HydrophobicContact CD-CD1 4.12Å; K636-Q681 PolarHBondContact O-NE2 2.92Å; K636-T687 HydrophobicContact CB-CG2 4.08Å; K636-T687 HydrophobicContact CG-CG2 4.3Å |
| 637 | N | 97.7 | Very high | 96.2 | Very high | 20 Ų | 20 | 67 Ų | 67 | 11% | 0.107 | 31% | 0.312 | C | S | . | . | trans | -95.7 | 121.9 | 176.7 | -61.3 | -46.7 | 0 | 0 | 0 | 111.5 | A628 N633 Q634 E635 Y639 L643 Y658 N660 | A628-N637 PolarHBondContact O-ND2 2.65Å; N633-N637 PolarHBondContact O-ND2 2.59Å; Q634-N637 WeakPolarHBondContact O-CB 3.36Å; Q634-N637 PolarHBondContact O-N 3.01Å; Q634-N637 VanDerWaalsContact O-N 3.15Å; E635-N637 VanDerWaalsContact C-N 3.35Å; N637-Y639 VanDerWaalsContact C-N 3.27Å; N637-Y639 PolarHBondContact O-N 3.36Å; N637-L643 HydrophobicContact CB-CD2 4.19Å; N637-L643 WeakPolarHBondContact ND2-CD2 3.47Å; N637-Y658 PolarHBondContact OD1-OH 2.79Å; N637-N660 PolarHBondContact OD1-ND2 3.29Å | ||
| 638 | R | 95.9 | Very high | 96.3 | Very high | 41 Ų | 41 | 67.8 Ų | 67.8 | 16% | 0.155 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -68.3 | -26.9 | 176.3 | 176.9 | 174.3 | -81.8 | -79.1 | 3.8 | 112.9 | G682 P683 L684 T715 K716 S806 | R638-G682 PolarHBondContact NE-O 3.25Å; R638-P683 PolarHBondContact NH2-O 2.87Å; R638-L684 HydrophobicContact CB-CD1 4.35Å; R638-L684 HydrophobicContact CB-CD2 4.06Å; R638-L684 HydrophobicContact CB-CG 4.25Å; R638-L684 HydrophobicContact CG-CD2 4.18Å; R638-T715 PolarHBondContact NH1-O 3.2Å; R638-K716 PolarHBondContact NE-O 3.14Å; R638-K716 PolarHBondContact NH1-O 2.88Å; R638-S806 WeakPolarHBondContact CD-O 3.3Å |
| 639 | Y | 94.1 | Very high | 96.4 | Very high | 78 Ų | 78 | 69.7 Ų | 69.7 | 31% | 0.306 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -135 | 132 | 177.3 | -62.6 | -79 | 0 | 0 | 0 | 108.5 | N637 D641 V642 S806 A807 | N637-Y639 VanDerWaalsContact C-N 3.27Å; N637-Y639 PolarHBondContact O-N 3.36Å; Y639-D641 PolarHBondContact O-N 3.1Å; Y639-V642 HydrophobicContact CG-CG2 4.43Å; Y639-S806 WeakPolarHBondContact CE2-OG 3.48Å; Y639-S806 PolarHBondContact OH-OG 3.4Å; Y639-A807 HydrophobicContact CD2-CB 3.69Å; Y639-A807 HydrophobicContact CE2-CB 3.67Å |
| 640 | R | 93.1 | Very high | 96.5 | Very high | 237 Ų | 237 | 62.8 Ų | 62.8 | 89% | 0.894 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -68.4 | -21.5 | -173.3 | -69.9 | -178.4 | 171.6 | -177.5 | -3.9 | 113.7 | ||
| 641 | D | 91.7 | Very high | 96.6 | Very high | 111 Ų | 111 | 62.5 Ų | 62.5 | 59% | 0.594 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -102.1 | -20.4 | -175.1 | 60.6 | -47.1 | 0 | 0 | 0 | 113.5 | Y639 L643 M846 | Y639-D641 PolarHBondContact O-N 3.1Å; D641-L643 PolarHBondContact O-N 3.44Å; D641-M846 WeakPolarHBondContact O-CE 3.42Å |
| 642 | V | 96.5 | Very high | 96.6 | Very high | 7 Ų | 7 | 57.9 Ų | 57.9 | 4% | 0.042 | 27% | 0.271 | C | S | . | . | trans | -95.9 | 89.6 | 179.7 | -172.8 | 0 | 0 | 0 | 0 | 110.2 | Y639 N660 A807 I809 M846 | Y639-V642 HydrophobicContact CG-CG2 4.43Å; V642-N660 PolarHBondContact O-ND2 3Å; V642-A807 HydrophobicContact CG1-CB 4.29Å; V642-A807 WeakPolarHBondContact CG1-O 3.45Å; V642-A807 HydrophobicContact CG2-CB 4.26Å; V642-I809 HydrophobicContact CB-CD1 4.39Å; V642-I809 HydrophobicContact CG1-CD1 3.68Å; V642-I809 HydrophobicContact CG1-CG1 3.99Å; V642-I809 HydrophobicContact CG1-CG2 3.89Å; V642-I809 HydrophobicContact CG2-CD1 3.76Å; V642-M846 HydrophobicContact CB-CE 4.35Å; V642-M846 HydrophobicContact CG2-CE 3.88Å | ||
| 643 | L | 97.9 | Very high | 96.5 | Very high | 10 Ų | 10 | 58.4 Ų | 58.4 | 5% | 0.052 | 28% | 0.277 | C | S | . | . | trans | -118 | 145.7 | -174.6 | -53.8 | -179.7 | 0 | 0 | 0 | 111.4 | L625 A628 R629 N637 D641 | L625-L643 HydrophobicContact CD2-CB 4.29Å; A628-L643 HydrophobicContact CB-CB 3.9Å; A628-L643 HydrophobicContact CB-CD1 4.25Å; A628-L643 HydrophobicContact CB-CD2 4.21Å; A628-L643 HydrophobicContact CB-CG 4.34Å; R629-L643 HydrophobicContact CG-CD1 3.74Å; N637-L643 HydrophobicContact CB-CD2 4.19Å; N637-L643 WeakPolarHBondContact ND2-CD2 3.47Å; D641-L643 PolarHBondContact O-N 3.44Å | ||
| 644 | P | 98.1 | Very high | 96.1 | Very high | 1 Ų | 1 | 61.3 Ų | 61.3 | 1% | 0.006 | 31% | 0.308 | C | S | . | . | trans | -70.8 | 156.6 | 170.1 | 33.5 | -36.6 | 0 | 0 | 0 | 111 | L625 A628 R649 Y658 S662 | L625-P644 WeakPolarHBondContact CD2-O 3.39Å; A628-P644 HydrophobicContact CB-CG 4.16Å; P644-R649 HydrophobicContact CB-CB 3.98Å; P644-R649 HydrophobicContact CG-CB 4.16Å; P644-Y658 VanDerWaalsContact CD-OH 3.32Å; P644-Y658 WeakPolarHBondContact CD-OH 3.31Å; P644-Y658 HydrophobicContact CG-CE2 3.86Å; P644-S662 VanDerWaalsContact CB-OG 3.31Å; P644-S662 WeakPolarHBondContact CB-OG 3.47Å | ||
| 645 | Y | 98.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 33% | 0.328 | C | S | . | . | trans | -74.8 | 148 | 166.7 | -55.3 | -67.2 | 0 | 0 | 0 | 110.6 | R619 K620 L623 S624 L625 D647 T648 R649 R841 Q843 A845 | R619-Y645 HydrophobicContact CG-CE1 3.6Å; R619-Y645 WeakPolarHBondContact CG-OH 3.31Å; K620-Y645 PolarHBondContact N-OH 2.89Å; L623-Y645 HydrophobicContact CB-CD1 3.44Å; L623-Y645 VanDerWaalsContact CB-CD1 3.44Å; L623-Y645 HydrophobicContact CB-CE1 3.68Å; L623-Y645 HydrophobicContact CB-CG 4.02Å; L623-Y645 HydrophobicContact CD1-CD1 3.89Å; L623-Y645 HydrophobicContact CD1-CD2 3.71Å; L623-Y645 HydrophobicContact CD1-CE1 3.9Å; L623-Y645 HydrophobicContact CD1-CE2 3.74Å; L623-Y645 HydrophobicContact CD1-CG 3.79Å; L623-Y645 HydrophobicContact CG-CD1 4.33Å; L623-Y645 HydrophobicContact CG-CE1 4.37Å; S624-Y645 VanDerWaalsContact O-CA 3.3Å; S624-Y645 WeakPolarHBondContact O-CA 3.46Å; L625-Y645 HydrophobicContact CD2-CD1 3.67Å; L625-Y645 HydrophobicContact CD2-CE1 4.23Å; L625-Y645 HydrophobicContact CD2-CG 4.47Å; Y645-D647 PolarHBondContact O-N 3.27Å; Y645-T648 PolarHBondContact O-N 2.87Å; Y645-R649 WeakPolarHBondContact O-CB 2.97Å; Y645-R649 PolarHBondContact O-N 2.84Å; Y645-R841 WeakPolarHBondContact CE2-O 3.29Å; Y645-R841 PolarHBondContact OH-O 3.15Å; Y645-Q843 WeakPolarHBondContact CD2-O 3.11Å; Y645-A845 HydrophobicContact CE1-CB 4.34Å | ||
| 646 | D | 97.9 | Very high | 95.1 | Very high | 32 Ų | 32 | 63.1 Ų | 63.1 | 17% | 0.171 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -36.2 | 178.6 | -65.6 | -29.9 | 0 | 0 | 0 | 111.9 | S624 L625 S626 C627 T648 | S624-D646 WeakPolarHBondContact CB-OD2 3.28Å; S624-D646 PolarHBondContact O-N 2.97Å; S624-D646 PolarHBondContact OG-OD2 2.93Å; L625-D646 PolarHBondContact N-OD2 3.29Å; S626-D646 VanDerWaalsContact CB-OD2 3.31Å; S626-D646 WeakPolarHBondContact CB-OD2 3.13Å; S626-D646 VanDerWaalsContact N-CG 3.29Å; S626-D646 PolarHBondContact N-OD1 2.76Å; S626-D646 PolarHBondContact N-OD2 2.84Å; S626-D646 PolarHBondContact OG-OD2 3.3Å; C627-D646 WeakPolarHBondContact CB-OD1 3.39Å; C627-D646 PolarHBondContact N-OD1 2.98Å; D646-T648 VanDerWaalsContact C-N 3.34Å; D646-T648 PolarHBondContact O-N 2.83Å |
| 647 | D | 97.7 | Very high | 95 | Very high | 119 Ų | 119 | 64.5 Ų | 64.5 | 64% | 0.636 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -19.8 | -176.7 | -48.4 | -32.1 | 0 | 0 | 0 | 113.9 | Y645 | Y645-D647 PolarHBondContact O-N 3.27Š|
| 648 | T | 98 | Very high | 95 | Very high | 26 Ų | 26 | 63.6 Ų | 63.6 | 16% | 0.16 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -126.5 | -1.1 | -172 | 65.9 | 0 | 0 | 0 | 0 | 114 | Y645 D646 S662 H663 Q843 | Y645-T648 PolarHBondContact O-N 2.87Å; D646-T648 VanDerWaalsContact C-N 3.34Å; D646-T648 PolarHBondContact O-N 2.83Å; T648-S662 CarbonylContact O-C 3.56Å; T648-S662 VanDerWaalsContact O-CA 3.25Å; T648-S662 WeakPolarHBondContact O-CA 3.45Å; T648-H663 PolarHBondContact O-N 3.08Å; T648-Q843 WeakPolarHBondContact CB-O 3.26Å; T648-Q843 PolarHBondContact OG1-O 3.04Å |
| 649 | R | 98.2 | Very high | 95.1 | Very high | 40 Ų | 40 | 61.9 Ų | 61.9 | 15% | 0.151 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 152.5 | 175.5 | 70.1 | -173.5 | 179.7 | 98 | -9.8 | 111.2 | C627 P644 Y645 V651 D657 A661 H663 | C627-R649 VanDerWaalsContact SG-CZ 3.57Å; P644-R649 HydrophobicContact CB-CB 3.98Å; P644-R649 HydrophobicContact CG-CB 4.16Å; Y645-R649 WeakPolarHBondContact O-CB 2.97Å; Y645-R649 PolarHBondContact O-N 2.84Å; R649-V651 HydrophobicContact CG-CG2 4.17Å; R649-D657 IonicContact CZ-OD2 3.42Å; R649-D657 PolarHBondContact NH1-O 2.96Å; R649-D657 IonicContact NH1-OD1 3.69Å; R649-D657 IonicContact NH1-OD2 3.33Å; R649-D657 PolarHBondContact NH1-OD2 3.19Å; R649-D657 IonicContact NH2-OD2 2.72Å; R649-D657 PolarHBondContact NH2-OD2 3.36Å; R649-A661 VanDerWaalsContact CA-O 3.32Å; R649-A661 WeakPolarHBondContact CA-O 3.48Å; R649-H663 PolarHBondContact O-CD2 2.7Å |
| 650 | V | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 134 | 161.1 | 178.2 | 0 | 0 | 0 | 0 | 108.3 | L652 I659 A661 I678 T694 | V650-L652 HydrophobicContact CG1-CD2 4.07Å; V650-I659 HydrophobicContact CB-CG2 3.83Å; V650-I659 HydrophobicContact CG1-CG2 3.97Å; V650-A661 HydrophobicContact CB-CB 4.21Å; V650-A661 HydrophobicContact CG2-CB 3.68Å; V650-A661 PolarHBondContact N-O 3.47Å; V650-I678 HydrophobicContact CG2-CG1 4.47Å; V650-I678 HydrophobicContact CG2-CG2 3.6Å; V650-T694 HydrophobicContact CG1-CG2 4Å; V650-T694 HydrophobicContact CG2-CG2 4.41Å |
| 651 | V | 97.9 | Very high | 95.6 | Very high | 74 Ų | 74 | 47 Ų | 47 | 45% | 0.448 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 122.9 | 172.9 | -171.1 | 0 | 0 | 0 | 0 | 107.5 | R649 D657 | R649-V651 HydrophobicContact CG-CG2 4.17Å; V651-D657 WeakPolarHBondContact CA-O 3.36Å; V651-D657 HydrophobicContact CG1-CB 3.99Å |
| 652 | L | 96.8 | Very high | 95.9 | Very high | 5 Ų | 5 | 41.7 Ų | 41.7 | 3% | 0.026 | 23% | 0.225 | C | C | . | . | trans | -94.3 | 151.1 | -179.7 | -64.5 | 177.5 | 0 | 0 | 0 | 112.1 | V650 G654 D657 I659 H690 Q693 E697 | V650-L652 HydrophobicContact CG1-CD2 4.07Å; L652-G654 PolarHBondContact O-N 3.3Å; L652-D657 PolarHBondContact N-O 2.89Å; L652-D657 WeakPolarHBondContact O-CA 3.46Å; L652-I659 HydrophobicContact CD1-CB 4.05Å; L652-I659 HydrophobicContact CD1-CG2 4.03Å; L652-I659 HydrophobicContact CD2-CG2 4.5Å; L652-I659 HydrophobicContact CG-CG2 4.14Å; L652-H690 HydrophobicContact CD1-CB 3.73Å; L652-Q693 HydrophobicContact CD2-CG 4.25Å; L652-E697 WeakPolarHBondContact CA-OE2 3.3Å | ||
| 653 | L | 92.4 | Very high | 96 | Very high | 133 Ų | 133 | 44.3 Ų | 44.3 | 70% | 0.696 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -78.4 | 121.9 | 176.1 | -56.9 | 175.6 | 0 | 0 | 0 | 111.6 | Q693 E697 | L653-Q693 PolarHBondContact O-NE2 3.16Å; L653-E697 WeakPolarHBondContact CB-OE1 3.2Å; L653-E697 HydrophobicContact CD1-CG 4.33Å; L653-E697 PolarHBondContact N-OE1 3.1Å; L653-E697 PolarHBondContact N-OE2 3.44Å |
| 654 | G | 88.2 | Confident | 96 | Very high | 67 Ų | 67 | 43.9 Ų | 43.9 | 69% | 0.691 | 24% | 0.235 | S | C | * | . | S | Bend | trans | 138.7 | -151.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | L652 | L652-G654 PolarHBondContact O-N 3.3Š|
| 655 | K | 81.2 | Confident | 95.9 | Very high | 217 Ų | 217 | 46.6 Ų | 46.6 | 94% | 0.943 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -79.9 | -25.5 | 179.7 | -172.1 | -179.9 | 176.5 | -172.3 | 0 | 113.1 | ||
| 656 | E | 89.8 | Confident | 95.6 | Very high | 88 Ų | 88 | 46.8 Ų | 46.8 | 41% | 0.411 | 25% | 0.253 | S | S | . | . | trans | -114.4 | 102.5 | 172.7 | -60.6 | -156.2 | 125.3 | 0 | 0 | 108.9 | K636 H690 | K636-E656 WeakPolarHBondContact CE-OE1 3.04Å; K636-E656 VanDerWaalsContact NZ-CD 3.26Å; K636-E656 IonicContact NZ-OE1 3.9Å; K636-E656 PolarHBondContact NZ-OE1 3.11Å; K636-E656 IonicContact NZ-OE2 2.84Å; E656-H690 IonicContact OE2-CD2 2.81Å; E656-H690 IonicContact OE2-CE1 2.92Å; E656-H690 IonicContact OE2-NE2 3.16Å; E656-H690 PolarHBondContact OE2-NE2 2.93Å | ||
| 657 | D | 94.9 | Very high | 95 | Very high | 49 Ų | 49 | 47.8 Ų | 47.8 | 26% | 0.262 | 27% | 0.266 | S | S | . | . | trans | -91.1 | -3.2 | -174.9 | 78.2 | -42.6 | 0 | 0 | 0 | 113.4 | R649 V651 L652 | R649-D657 IonicContact CZ-OD2 3.42Å; R649-D657 PolarHBondContact NH1-O 2.96Å; R649-D657 IonicContact NH1-OD1 3.69Å; R649-D657 IonicContact NH1-OD2 3.33Å; R649-D657 PolarHBondContact NH1-OD2 3.19Å; R649-D657 IonicContact NH2-OD2 2.72Å; R649-D657 PolarHBondContact NH2-OD2 3.36Å; V651-D657 WeakPolarHBondContact CA-O 3.36Å; V651-D657 HydrophobicContact CG1-CB 3.99Å; L652-D657 PolarHBondContact N-O 2.89Å; L652-D657 WeakPolarHBondContact O-CA 3.46Å | ||
| 658 | Y | 98.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 129.5 | -170.3 | -177.4 | -100.7 | 0 | 0 | 0 | 114.3 | A628 N633 K636 N637 P644 | A628-Y658 HydrophobicContact CB-CE2 3.8Å; A628-Y658 VanDerWaalsContact CB-OH 3.31Å; A628-Y658 WeakPolarHBondContact CB-OH 3.24Å; N633-Y658 HydrophobicContact CB-CD1 3.58Å; N633-Y658 HydrophobicContact CB-CE1 3.94Å; N633-Y658 HydrophobicContact CB-CG 3.98Å; N633-Y658 WeakPolarHBondContact OD1-CB 3.46Å; K636-Y658 HydrophobicContact CB-CD1 4.1Å; K636-Y658 HydrophobicContact CB-CE1 4.12Å; K636-Y658 HydrophobicContact CD-CD1 4.12Å; N637-Y658 PolarHBondContact OD1-OH 2.79Å; P644-Y658 VanDerWaalsContact CD-OH 3.32Å; P644-Y658 WeakPolarHBondContact CD-OH 3.31Å; P644-Y658 HydrophobicContact CG-CE2 3.86Å |
| 659 | I | 98.4 | Very high | 92 | Very high | 6 Ų | 6 | 49.8 Ų | 49.8 | 3% | 0.031 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 147 | 159.6 | -174.3 | 172.8 | 0 | 0 | 0 | 109.1 | V650 L652 A661 H690 F691 T694 | V650-I659 HydrophobicContact CB-CG2 3.83Å; V650-I659 HydrophobicContact CG1-CG2 3.97Å; L652-I659 HydrophobicContact CD1-CB 4.05Å; L652-I659 HydrophobicContact CD1-CG2 4.03Å; L652-I659 HydrophobicContact CD2-CG2 4.5Å; L652-I659 HydrophobicContact CG-CG2 4.14Å; I659-A661 HydrophobicContact CG2-CB 4.18Å; I659-A661 PolarHBondContact O-N 2.92Å; I659-H690 HydrophobicContact CB-CB 4.44Å; I659-H690 HydrophobicContact CD1-CB 4.04Å; I659-H690 HydrophobicContact CG1-CB 4.43Å; I659-F691 HydrophobicContact CD1-CB 4.3Å; I659-T694 WeakPolarHBondContact CD1-OG1 3.43Å |
| 660 | N | 98.6 | Very high | 90.3 | Very high | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 75.5 | 172.5 | -167.6 | -41.7 | 0 | 0 | 0 | 111.1 | N637 V642 Q681 R844 | N637-N660 PolarHBondContact OD1-ND2 3.29Å; V642-N660 PolarHBondContact O-ND2 3Å; N660-Q681 HydrophobicContact CB-CG 4.13Å; N660-Q681 PolarHBondContact O-N 2.86Å; N660-Q681 VanDerWaalsContact O-N 3.14Å; N660-R844 PolarHBondContact OD1-NH1 3.38Å; N660-R844 PolarHBondContact OD1-NH2 3.32Å |
| 661 | A | 98.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 156.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110 | R649 V650 I659 I678 A679 A680 | R649-A661 VanDerWaalsContact CA-O 3.32Å; R649-A661 WeakPolarHBondContact CA-O 3.48Å; V650-A661 HydrophobicContact CB-CB 4.21Å; V650-A661 HydrophobicContact CG2-CB 3.68Å; V650-A661 PolarHBondContact N-O 3.47Å; I659-A661 HydrophobicContact CG2-CB 4.18Å; I659-A661 PolarHBondContact O-N 2.92Å; A661-I678 HydrophobicContact CB-CG2 3.93Å; A661-A679 CarbonylContact C-O 3.53Å; A661-A679 VanDerWaalsContact CA-O 3.29Å; A661-A679 WeakPolarHBondContact CA-O 3.49Å; A661-A680 HydrophobicContact CB-CB 3.66Å |
| 662 | S | 98.8 | Very high | 87.2 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 137.4 | 179.5 | -50.1 | 0 | 0 | 0 | 0 | 110.9 | P644 T648 I678 A679 R844 | P644-S662 VanDerWaalsContact CB-OG 3.31Å; P644-S662 WeakPolarHBondContact CB-OG 3.47Å; T648-S662 CarbonylContact O-C 3.56Å; T648-S662 VanDerWaalsContact O-CA 3.25Å; T648-S662 WeakPolarHBondContact O-CA 3.45Å; S662-I678 CarbonylContact O-C 3.57Å; S662-I678 WeakPolarHBondContact O-CA 3.2Å; S662-A679 PolarHBondContact N-O 3.29Å; S662-A679 PolarHBondContact O-N 2.81Å; S662-R844 PolarHBondContact OG-NH1 3.28Å; S662-R844 VanDerWaalsContact OG-NH1 3.07Å |
| 663 | H | 98.5 | Very high | 86.2 | Confident | 63 Ų | 63 | 57.2 Ų | 57.2 | 29% | 0.292 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 135.4 | 164.4 | -64.1 | -78.3 | 0 | 0 | 0 | 109.4 | T648 R649 Q698 | T648-H663 PolarHBondContact O-N 3.08Å; R649-H663 PolarHBondContact O-CD2 2.7Å; H663-Q698 PolarHBondContact CE1-OE1 2.65Å |
| 664 | I | 97.6 | Very high | 86 | Confident | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 121.9 | 173.2 | -59.1 | -173.2 | 0 | 0 | 0 | 108.2 | V666 Y677 A679 L840 Q843 R844 M847 | I664-V666 HydrophobicContact CG2-CG2 4.12Å; I664-Y677 HydrophobicContact CG2-CD2 4.47Å; I664-Y677 PolarHBondContact N-O 3.46Å; I664-Y677 PolarHBondContact O-N 2.97Å; I664-A679 HydrophobicContact CD1-CB 3.55Å; I664-A679 HydrophobicContact CG1-CB 4.17Å; I664-L840 HydrophobicContact CG2-CD2 3.55Å; I664-Q843 HydrophobicContact CG1-CB 4.15Å; I664-R844 HydrophobicContact CD1-CB 3.96Å; I664-M847 HydrophobicContact CD1-CE 3.63Å; I664-M847 HydrophobicContact CD1-SD 4.18Å |
| 665 | T | 95.2 | Very high | 86.2 | Confident | 58 Ų | 58 | 51 Ų | 51 | 36% | 0.356 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 127.2 | 169.6 | -59.7 | 0 | 0 | 0 | 0 | 109 | A667 L675 R676 Q843 | T665-A667 HydrophobicContact CG2-CB 4.22Å; T665-L675 WeakPolarHBondContact CA-O 3.36Å; T665-R676 HydrophobicContact CG2-CG 4.47Å; T665-Q843 PolarHBondContact O-NE2 3.24Å; T665-Q843 PolarHBondContact O-OE1 3.46Å |
| 666 | V | 91.7 | Very high | 86.9 | Confident | 4 Ų | 4 | 45.9 Ų | 45.9 | 2% | 0.024 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 101.7 | 172.6 | -169.6 | 0 | 0 | 0 | 0 | 107.6 | I664 P668 L675 Y677 I816 T820 L840 | I664-V666 HydrophobicContact CG2-CG2 4.12Å; V666-P668 HydrophobicContact CG1-CG 4.42Å; V666-L675 HydrophobicContact CB-CB 4.48Å; V666-L675 PolarHBondContact N-O 3.34Å; V666-L675 PolarHBondContact O-N 2.87Å; V666-Y677 HydrophobicContact CG2-CE2 4.29Å; V666-I816 HydrophobicContact CG2-CG2 4.05Å; V666-T820 HydrophobicContact CG1-CG2 3.57Å; V666-L840 HydrophobicContact CG2-CD2 3.7Å |
| 667 | A | 86.1 | Confident | 87.3 | Confident | 53 Ų | 53 | 41.8 Ų | 41.8 | 44% | 0.438 | 25% | 0.245 | S | C | . | . | trans | -128.2 | 84.2 | -180 | 0 | 0 | 0 | 0 | 0 | 109.8 | T665 N669 V673 C674 | T665-A667 HydrophobicContact CG2-CB 4.22Å; A667-N669 PolarHBondContact O-N 2.9Å; A667-V673 WeakPolarHBondContact CA-O 3.32Å; A667-C674 HydrophobicContact CB-CB 4.43Å | ||
| 668 | P | 71.7 | Confident | 87.5 | Confident | 40 Ų | 40 | 39.5 Ų | 39.5 | 26% | 0.26 | 23% | 0.233 | S | C | . | . | trans | -64.6 | 130.2 | 178.8 | -19.2 | 33.3 | 0 | 0 | 0 | 110.3 | V666 S671 L824 | V666-P668 HydrophobicContact CG1-CG 4.42Å; P668-S671 WeakPolarHBondContact O-CB 3.45Å; P668-S671 PolarHBondContact O-N 2.96Å; P668-S671 PolarHBondContact O-OG 3.47Å; P668-L824 HydrophobicContact CB-CD2 4.25Å; P668-L824 HydrophobicContact CG-CD1 4.43Å; P668-L824 HydrophobicContact CG-CD2 4.13Å | ||
| 669 | N | 60.9 | Low | 87.5 | Confident | 147 Ų | 147 | 39.5 Ų | 39.5 | 79% | 0.786 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.4 | 142.4 | -179.5 | -68.4 | -5.1 | 0 | 0 | 0 | 111.5 | A667 S671 | A667-N669 PolarHBondContact O-N 2.9Å; N669-S671 PolarHBondContact O-N 3.21Å |
| 670 | E | 61.8 | Low | 87.5 | Confident | 156 Ų | 156 | 39.2 Ų | 39.2 | 73% | 0.729 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.6 | -2.8 | 177.2 | -57.3 | 161 | -139.6 | 0 | 0 | 115.6 | R829 | E670-R829 PolarHBondContact O-NH2 3.42Š|
| 671 | S | 63 | Low | 87.5 | Confident | 15 Ų | 15 | 39.5 Ų | 39.5 | 11% | 0.105 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -81.7 | -24 | -174.3 | 71.7 | 0 | 0 | 0 | 0 | 115.1 | P668 N669 V673 | P668-S671 WeakPolarHBondContact O-CB 3.45Å; P668-S671 PolarHBondContact O-N 2.96Å; P668-S671 PolarHBondContact O-OG 3.47Å; N669-S671 PolarHBondContact O-N 3.21Å; S671-V673 PolarHBondContact O-N 2.74Å; S671-V673 WeakPolarHBondContact OG-CB 3.28Å; S671-V673 PolarHBondContact OG-N 3.35Å; S671-V673 VanDerWaalsContact OG-N 3.08Å |
| 672 | G | 69.6 | Low | 87.4 | Confident | 84 Ų | 84 | 39.5 Ų | 39.5 | 87% | 0.866 | 23% | 0.233 | S | C | * | . | trans | 73.1 | -7.7 | -167.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 673 | V | 75.3 | Confident | 87.4 | Confident | 20 Ų | 20 | 39.6 Ų | 39.6 | 12% | 0.121 | 23% | 0.233 | C | C | . | . | trans | -80.5 | 129.1 | 177 | 178.9 | 0 | 0 | 0 | 0 | 109.4 | A667 S671 L675 A827 | A667-V673 WeakPolarHBondContact CA-O 3.32Å; S671-V673 PolarHBondContact O-N 2.74Å; S671-V673 WeakPolarHBondContact OG-CB 3.28Å; S671-V673 PolarHBondContact OG-N 3.35Å; S671-V673 VanDerWaalsContact OG-N 3.08Å; V673-L675 HydrophobicContact CG1-CD1 4.14Å; V673-L675 HydrophobicContact CG1-CD2 4.38Å; V673-L675 HydrophobicContact CG1-CG 3.81Å; V673-A827 HydrophobicContact CG2-CB 4.49Å | ||
| 674 | C | 88.4 | Confident | 87.3 | Confident | 58 Ų | 58 | 37.7 Ų | 37.7 | 39% | 0.392 | 23% | 0.225 | S | C | . | . | trans | -139.2 | 99.8 | 172.1 | -174.8 | 0 | 0 | 0 | 0 | 109.1 | A667 | A667-C674 HydrophobicContact CB-CB 4.43Š| ||
| 675 | L | 92.6 | Very high | 87.2 | Confident | 10 Ų | 10 | 41.3 Ų | 41.3 | 5% | 0.052 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 120.7 | -178.6 | -58.6 | 176.2 | 0 | 0 | 0 | 109.8 | T665 V666 V673 Y677 E819 | T665-L675 WeakPolarHBondContact CA-O 3.36Å; V666-L675 HydrophobicContact CB-CB 4.48Å; V666-L675 PolarHBondContact N-O 3.34Å; V666-L675 PolarHBondContact O-N 2.87Å; V673-L675 HydrophobicContact CG1-CD1 4.14Å; V673-L675 HydrophobicContact CG1-CD2 4.38Å; V673-L675 HydrophobicContact CG1-CG 3.81Å; L675-Y677 HydrophobicContact CB-CE2 3.61Å; L675-E819 HydrophobicContact CD1-CG 4.33Å |
| 676 | R | 95.5 | Very high | 87.3 | Confident | 110 Ų | 110 | 43.4 Ų | 43.4 | 42% | 0.415 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 143 | 178.7 | -64.2 | 176.2 | -178.9 | 160.6 | -2.5 | 111.2 | T665 R795 T798 P800 L801 | T665-R676 HydrophobicContact CG2-CG 4.47Å; R676-R795 PolarHBondContact O-NH1 2.84Å; R676-T798 PolarHBondContact NH1-O 3.21Å; R676-P800 HydrophobicContact CB-CB 4.08Å; R676-L801 PolarHBondContact O-N 3.15Å |
| 677 | Y | 97.9 | Very high | 87.5 | Confident | 3 Ų | 3 | 43.4 Ų | 43.4 | 1% | 0.012 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 159.4 | 179.4 | -50.8 | -94 | 0 | 0 | 0 | 111.4 | I664 V666 L675 R795 L801 V803 I816 E819 | I664-Y677 HydrophobicContact CG2-CD2 4.47Å; I664-Y677 PolarHBondContact N-O 3.46Å; I664-Y677 PolarHBondContact O-N 2.97Å; V666-Y677 HydrophobicContact CG2-CE2 4.29Å; L675-Y677 HydrophobicContact CB-CE2 3.61Å; Y677-R795 PolarHBondContact OH-NH2 3.44Å; Y677-L801 CarbonylContact C-O 3.53Å; Y677-L801 VanDerWaalsContact CA-O 3.25Å; Y677-L801 WeakPolarHBondContact CA-O 3.5Å; Y677-L801 HydrophobicContact CD1-CB 4.16Å; Y677-V803 HydrophobicContact CD1-CG2 3.78Å; Y677-I816 HydrophobicContact CD1-CD1 3.89Å; Y677-I816 HydrophobicContact CD1-CG1 3.82Å; Y677-I816 HydrophobicContact CD2-CD1 4.07Å; Y677-I816 HydrophobicContact CD2-CG1 4.3Å; Y677-I816 HydrophobicContact CD2-CG2 4.04Å; Y677-I816 HydrophobicContact CE1-CB 4.45Å; Y677-I816 HydrophobicContact CE1-CD1 4.24Å; Y677-I816 HydrophobicContact CE1-CG1 3.66Å; Y677-I816 HydrophobicContact CE1-CG2 4.39Å; Y677-I816 HydrophobicContact CE2-CB 4.4Å; Y677-I816 HydrophobicContact CE2-CD1 4.44Å; Y677-I816 HydrophobicContact CE2-CG1 4.19Å; Y677-I816 HydrophobicContact CE2-CG2 3.51Å; Y677-I816 HydrophobicContact CG-CD1 3.78Å; Y677-I816 HydrophobicContact CG-CG1 4.12Å; Y677-E819 WeakPolarHBondContact CE1-OE2 3.26Å; Y677-E819 VanDerWaalsContact CZ-OE2 3.29Å; Y677-E819 PolarHBondContact OH-OE2 2.65Å |
| 678 | I | 98.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 115.2 | 158 | -66.8 | 162.9 | 0 | 0 | 0 | 107.2 | V650 A661 S662 T694 Q698 T700 P800 L801 M802 V803 | V650-I678 HydrophobicContact CG2-CG1 4.47Å; V650-I678 HydrophobicContact CG2-CG2 3.6Å; A661-I678 HydrophobicContact CB-CG2 3.93Å; S662-I678 CarbonylContact O-C 3.57Å; S662-I678 WeakPolarHBondContact O-CA 3.2Å; I678-T694 HydrophobicContact CD1-CG2 4.39Å; I678-T694 HydrophobicContact CG2-CG2 4.29Å; I678-Q698 HydrophobicContact CD1-CB 3.45Å; I678-Q698 VanDerWaalsContact CD1-CB 3.45Å; I678-Q698 HydrophobicContact CD1-CG 3.57Å; I678-T700 HydrophobicContact CD1-CG2 3.97Å; I678-P800 HydrophobicContact CD1-CB 4.42Å; I678-P800 HydrophobicContact CD1-CG 4.28Å; I678-P800 HydrophobicContact CG1-CB 4.35Å; I678-L801 PolarHBondContact N-O 3.27Å; I678-M802 HydrophobicContact CB-SD 3.74Å; I678-M802 HydrophobicContact CG2-CE 4.3Å; I678-M802 HydrophobicContact CG2-SD 3.47Å; I678-M802 WeakPolarHBondContact CG2-SD 3.45Å; I678-V803 PolarHBondContact O-N 3.01Å |
| 679 | A | 98.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 110.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | A661 S662 I664 V803 T812 | A661-A679 CarbonylContact C-O 3.53Å; A661-A679 VanDerWaalsContact CA-O 3.29Å; A661-A679 WeakPolarHBondContact CA-O 3.49Å; S662-A679 PolarHBondContact N-O 3.29Å; S662-A679 PolarHBondContact O-N 2.81Å; I664-A679 HydrophobicContact CD1-CB 3.55Å; I664-A679 HydrophobicContact CG1-CB 4.17Å; A679-V803 WeakPolarHBondContact CA-O 3.48Å; A679-T812 HydrophobicContact CB-CG2 3.95Å |
| 680 | A | 98.6 | Very high | 91.1 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.008 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 157.7 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | A661 F691 M802 V803 H804 G808 | A661-A680 HydrophobicContact CB-CB 3.66Å; A680-F691 HydrophobicContact CB-CE2 4.47Å; A680-M802 HydrophobicContact CB-CE 3.63Å; A680-M802 HydrophobicContact CB-SD 4.36Å; A680-V803 PolarHBondContact N-O 3.47Å; A680-H804 HydrophobicContact CB-CB 4.28Å; A680-H804 WeakPolarHBondContact O-CA 3.39Å; A680-H804 WeakPolarHBondContact O-CB 3.5Å; A680-G808 WeakPolarHBondContact O-CA 3.39Å |
| 681 | Q | 98.1 | Very high | 92.8 | Very high | 7 Ų | 7 | 28.6 Ų | 28.6 | 3% | 0.033 | 17% | 0.173 | C | C | . | . | P | Polyproline II helix | trans | -68.3 | 160.6 | 162.6 | 74.6 | -179.9 | 16.6 | 0 | 0 | 111.3 | K636 N660 | K636-Q681 PolarHBondContact O-NE2 2.92Å; N660-Q681 HydrophobicContact CB-CG 4.13Å; N660-Q681 PolarHBondContact O-N 2.86Å; N660-Q681 VanDerWaalsContact O-N 3.14Å |
| 682 | G | 97.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | P | Polyproline II helix | trans | -68.7 | 127.2 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | R638 H804 C805 S806 | R638-G682 PolarHBondContact NE-O 3.25Å; G682-H804 WeakPolarHBondContact CA-ND1 3.38Å; G682-C805 WeakPolarHBondContact CA-O 3.46Å; G682-C805 PolarHBondContact N-O 2.7Å; G682-S806 PolarHBondContact N-O 3.22Å |
| 683 | P | 98.2 | Very high | 95.8 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.006 | 14% | 0.137 | C | C | . | . | P | Polyproline II helix | trans | -48.6 | 142.3 | -175.4 | -35.8 | 39.6 | 0 | 0 | 0 | 115.4 | R638 F691 H718 Y720 | R638-P683 PolarHBondContact NH2-O 2.87Å; P683-F691 HydrophobicContact CG-CB 3.87Å; P683-F691 HydrophobicContact CG-CD1 4.19Å; P683-F691 HydrophobicContact CG-CD2 3.34Å; P683-F691 HydrophobicContact CG-CE2 3.79Å; P683-F691 HydrophobicContact CG-CG 3.54Å; P683-F691 HydrophobicContact CG-CZ 4.41Å; P683-H718 WeakPolarHBondContact O-CB 3.39Å; P683-H718 PolarHBondContact O-N 2.81Å; P683-Y720 HydrophobicContact CB-CD1 4.19Å; P683-Y720 HydrophobicContact CG-CD1 3.62Å; P683-Y720 HydrophobicContact CG-CE1 4.11Å; P683-Y720 HydrophobicContact CG-CG 4.08Å |
| 684 | L | 96.9 | Very high | 96.8 | Very high | 23 Ų | 23 | 25.1 Ų | 25.1 | 12% | 0.12 | 13% | 0.131 | C | C | . | . | P | Polyproline II helix | trans | -87.6 | 159 | 162 | -62.4 | 165.8 | 0 | 0 | 0 | 108.3 | R638 Q686 T687 C688 | R638-L684 HydrophobicContact CB-CD1 4.35Å; R638-L684 HydrophobicContact CB-CD2 4.06Å; R638-L684 HydrophobicContact CB-CG 4.25Å; R638-L684 HydrophobicContact CG-CD2 4.18Å; L684-Q686 PolarHBondContact O-N 3.48Å; L684-T687 HydrophobicContact CB-CG2 4.16Å; L684-T687 HydrophobicContact CD1-CG2 4.35Å; L684-T687 PolarHBondContact N-OG1 3.23Å; L684-T687 PolarHBondContact O-N 3.48Å; L684-T687 PolarHBondContact O-OG1 3.24Å; L684-C688 PolarHBondContact O-N 3.42Å; L684-C688 PolarHBondContact O-SG 3.18Å |
| 685 | P | 95.6 | Very high | 97.3 | Very high | 78 Ų | 78 | 22.3 Ų | 22.3 | 51% | 0.506 | 11% | 0.112 | S | C | . | . | G | 310 helix | trans | -49.7 | -44.5 | 179.1 | -25.3 | 32.4 | 0 | 0 | 0 | 113 | T687 H718 | P685-T687 VanDerWaalsContact C-N 3.35Å; P685-T687 PolarHBondContact O-N 3.02Å; P685-H718 HydrophobicContact CG-CB 4.41Å |
| 686 | Q | 95.3 | Very high | 97.4 | Very high | 102 Ų | 102 | 23.3 Ų | 23.3 | 48% | 0.477 | 12% | 0.115 | S | C | . | . | G | 310 helix | trans | -76 | -12.1 | 179.6 | 70.7 | -81 | 18 | 0 | 0 | 115.1 | E635 L684 | E635-Q686 PolarHBondContact O-NE2 2.86Å; L684-Q686 PolarHBondContact O-N 3.48Å |
| 687 | T | 97.6 | Very high | 97.4 | Very high | 4 Ų | 4 | 20.5 Ų | 20.5 | 3% | 0.025 | 11% | 0.107 | C | C | . | . | G | 310 helix | trans | -108.4 | 6.9 | -179.5 | 75.4 | 0 | 0 | 0 | 0 | 113.9 | K636 L684 P685 T689 H690 F691 | K636-T687 HydrophobicContact CB-CG2 4.08Å; K636-T687 HydrophobicContact CG-CG2 4.3Å; L684-T687 HydrophobicContact CB-CG2 4.16Å; L684-T687 HydrophobicContact CD1-CG2 4.35Å; L684-T687 PolarHBondContact N-OG1 3.23Å; L684-T687 PolarHBondContact O-N 3.48Å; L684-T687 PolarHBondContact O-OG1 3.24Å; P685-T687 VanDerWaalsContact C-N 3.35Å; P685-T687 PolarHBondContact O-N 3.02Å; T687-T689 VanDerWaalsContact C-N 3.29Å; T687-T689 PolarHBondContact O-N 2.99Å; T687-H690 PolarHBondContact O-N 3.31Å; T687-F691 WeakPolarHBondContact O-CB 3.33Å; T687-F691 PolarHBondContact O-N 2.83Å |
| 688 | C | 98 | Very high | 97.3 | Very high | 5 Ų | 5 | 22.9 Ų | 22.9 | 3% | 0.034 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.4 | -35.1 | 178.1 | -67.4 | 0 | 0 | 0 | 0 | 112.4 | L684 F691 W692 Y730 | L684-C688 PolarHBondContact O-N 3.42Å; L684-C688 PolarHBondContact O-SG 3.18Å; C688-F691 PolarHBondContact O-N 3.14Å; C688-W692 PolarHBondContact O-N 2.94Å; C688-W692 VanDerWaalsContact O-N 3.14Å; C688-Y730 HydrophobicContact CB-CD1 3.96Å; C688-Y730 HydrophobicContact CB-CE1 3.69Å |
| 689 | T | 97 | Very high | 97 | Very high | 57 Ų | 57 | 27.2 Ų | 27.2 | 35% | 0.35 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -65.7 | -50.6 | 176.3 | -56.2 | 0 | 0 | 0 | 0 | 111.3 | T687 F691 W692 Q693 | T687-T689 VanDerWaalsContact C-N 3.29Å; T687-T689 PolarHBondContact O-N 2.99Å; T689-F691 PolarHBondContact O-N 3.38Å; T689-W692 PolarHBondContact O-N 2.93Å; T689-Q693 WeakPolarHBondContact O-CB 3.42Å; T689-Q693 PolarHBondContact O-N 3.28Å |
| 690 | H | 98 | Very high | 96.8 | Very high | 21 Ų | 21 | 27.2 Ų | 27.2 | 10% | 0.097 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -58.5 | -34.7 | 176.3 | -49.8 | 78.3 | 0 | 0 | 0 | 112.2 | L652 E656 I659 T687 T694 | L652-H690 HydrophobicContact CD1-CB 3.73Å; E656-H690 IonicContact OE2-CD2 2.81Å; E656-H690 IonicContact OE2-CE1 2.92Å; E656-H690 IonicContact OE2-NE2 3.16Å; E656-H690 PolarHBondContact OE2-NE2 2.93Å; I659-H690 HydrophobicContact CB-CB 4.44Å; I659-H690 HydrophobicContact CD1-CB 4.04Å; I659-H690 HydrophobicContact CG1-CB 4.43Å; T687-H690 PolarHBondContact O-N 3.31Å; H690-T694 PolarHBondContact O-N 2.89Å; H690-T694 PolarHBondContact O-OG1 2.92Å |
| 691 | F | 98.5 | Very high | 96.7 | Very high | 2 Ų | 2 | 29.2 Ų | 29.2 | 1% | 0.009 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -67.3 | -47.1 | 176.2 | -174.6 | -84.5 | 0 | 0 | 0 | 112.1 | I659 A680 P683 T687 C688 T689 Q693 T694 V695 I703 Y720 M802 H804 | I659-F691 HydrophobicContact CD1-CB 4.3Å; A680-F691 HydrophobicContact CB-CE2 4.47Å; P683-F691 HydrophobicContact CG-CB 3.87Å; P683-F691 HydrophobicContact CG-CD1 4.19Å; P683-F691 HydrophobicContact CG-CD2 3.34Å; P683-F691 HydrophobicContact CG-CE2 3.79Å; P683-F691 HydrophobicContact CG-CG 3.54Å; P683-F691 HydrophobicContact CG-CZ 4.41Å; T687-F691 WeakPolarHBondContact O-CB 3.33Å; T687-F691 PolarHBondContact O-N 2.83Å; C688-F691 PolarHBondContact O-N 3.14Å; T689-F691 PolarHBondContact O-N 3.38Å; F691-Q693 VanDerWaalsContact C-N 3.33Å; F691-T694 VanDerWaalsContact O-CB 3.29Å; F691-T694 WeakPolarHBondContact O-CB 3.45Å; F691-T694 PolarHBondContact O-N 2.92Å; F691-V695 HydrophobicContact CD1-CG2 4.32Å; F691-V695 HydrophobicContact CE1-CG2 4.14Å; F691-V695 WeakPolarHBondContact O-CG2 3.31Å; F691-V695 PolarHBondContact O-N 3.34Å; F691-I703 HydrophobicContact CE1-CD1 4.29Å; F691-I703 HydrophobicContact CZ-CG2 4.18Å; F691-Y720 AromaticContact CD1-CD2 3.95Å; F691-Y720 HydrophobicContact CD1-CD2 3.95Å; F691-Y720 AromaticContact CD1-CE2 3.98Å; F691-Y720 HydrophobicContact CD1-CE2 3.98Å; F691-Y720 HydrophobicContact CD1-CG 4.4Å; F691-Y720 AromaticContact CE1-CD2 3.78Å; F691-Y720 HydrophobicContact CE1-CD2 3.78Å; F691-Y720 HydrophobicContact CE1-CE1 4.25Å; F691-Y720 AromaticContact CE1-CE2 3.31Å; F691-Y720 HydrophobicContact CE1-CE2 3.31Å; F691-Y720 HydrophobicContact CE1-CG 4.41Å; F691-Y720 AromaticContact CE1-CZ 3.55Å; F691-Y720 HydrophobicContact CZ-CE1 4.19Å; F691-Y720 AromaticContact CZ-CE2 3.95Å; F691-Y720 HydrophobicContact CZ-CE2 3.95Å; F691-Y720 AromaticContact CZ-CZ 3.67Å; F691-M802 HydrophobicContact CD2-CE 3.61Å; F691-M802 HydrophobicContact CE1-CE 4.47Å; F691-M802 HydrophobicContact CE2-CE 3.35Å; F691-M802 HydrophobicContact CG-CE 4.34Å; F691-M802 HydrophobicContact CZ-CE 3.82Å; F691-M802 HydrophobicContact CZ-CG 4.18Å; F691-H804 AromaticContact CZ-CD2 3.94Å |
| 692 | W | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -68.8 | -32.7 | 174.9 | -76.7 | 113.1 | 0 | 0 | 0 | 112.9 | C688 T689 T694 V695 W696 I703 Y720 Y730 L733 V735 F751 L753 | C688-W692 PolarHBondContact O-N 2.94Å; C688-W692 VanDerWaalsContact O-N 3.14Å; T689-W692 PolarHBondContact O-N 2.93Å; W692-T694 VanDerWaalsContact C-N 3.34Å; W692-V695 HydrophobicContact CE3-CB 4.05Å; W692-V695 HydrophobicContact CE3-CG1 3.95Å; W692-V695 HydrophobicContact CE3-CG2 4.26Å; W692-V695 HydrophobicContact CZ3-CG1 4Å; W692-V695 PolarHBondContact O-N 3.2Å; W692-W696 PolarHBondContact O-N 3.12Å; W692-I703 HydrophobicContact CH2-CD1 3.94Å; W692-I703 HydrophobicContact CZ3-CD1 3.92Å; W692-Y720 AromaticContact CE2-CD2 3.84Å; W692-Y720 AromaticContact CZ2-CD2 3.73Å; W692-Y720 HydrophobicContact CZ2-CD2 3.73Å; W692-Y720 HydrophobicContact CZ2-CE2 4Å; W692-Y720 AromaticContact NE1-CD2 3.75Å; W692-Y720 PolarHBondContact NE1-O 3.48Å; W692-Y730 AromaticContact CD1-CD1 3.91Å; W692-Y730 AromaticContact CD1-CD2 3.42Å; W692-Y730 VanDerWaalsContact CD1-CD2 3.42Å; W692-Y730 AromaticContact CD1-CE2 3.74Å; W692-Y730 AromaticContact CD1-CG 3.5Å; W692-Y730 VanDerWaalsContact CD1-CG 3.5Å; W692-Y730 HydrophobicContact CG-CD2 4.17Å; W692-Y730 HydrophobicContact CG-CG 4.27Å; W692-Y730 AromaticContact NE1-CD2 3.71Å; W692-Y730 AromaticContact NE1-CE2 3.56Å; W692-Y730 AromaticContact NE1-CZ 3.96Å; W692-L733 VanDerWaalsContact C-CD1 3.41Å; W692-L733 HydrophobicContact CB-CD1 3.97Å; W692-L733 VanDerWaalsContact O-CD1 3.23Å; W692-L733 WeakPolarHBondContact O-CD1 3.21Å; W692-V735 HydrophobicContact CD2-CG2 3.59Å; W692-V735 HydrophobicContact CE3-CG2 3.98Å; W692-V735 HydrophobicContact CG-CG2 3.98Å; W692-V735 HydrophobicContact CH2-CG1 4.06Å; W692-V735 HydrophobicContact CH2-CG2 4.27Å; W692-V735 HydrophobicContact CZ2-CG1 3.81Å; W692-V735 HydrophobicContact CZ2-CG2 3.92Å; W692-V735 HydrophobicContact CZ3-CG2 4.29Å; W692-F751 AromaticContact CH2-CD2 3.72Å; W692-F751 HydrophobicContact CH2-CD2 3.72Å; W692-F751 AromaticContact CH2-CE2 3.97Å; W692-F751 HydrophobicContact CH2-CE2 3.97Å; W692-F751 HydrophobicContact CH2-CG 4.28Å; W692-F751 HydrophobicContact CZ2-CE2 4.41Å; W692-L753 HydrophobicContact CD2-CD1 4.31Å; W692-L753 HydrophobicContact CE3-CD1 3.74Å; W692-L753 HydrophobicContact CE3-CD2 4.04Å; W692-L753 HydrophobicContact CE3-CG 4.47Å; W692-L753 HydrophobicContact CZ3-CD1 4.29Å; W692-L753 HydrophobicContact CZ3-CD2 4.43Å |
| 693 | Q | 96.8 | Very high | 96.7 | Very high | 45 Ų | 45 | 29.3 Ų | 29.3 | 21% | 0.21 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.2 | -42.6 | 170.5 | -172.7 | 177.6 | -9.5 | 0 | 0 | 111.3 | L652 L653 T689 F691 V695 W696 E697 | L652-Q693 HydrophobicContact CD2-CG 4.25Å; L653-Q693 PolarHBondContact O-NE2 3.16Å; T689-Q693 WeakPolarHBondContact O-CB 3.42Å; T689-Q693 PolarHBondContact O-N 3.28Å; F691-Q693 VanDerWaalsContact C-N 3.33Å; Q693-V695 PolarHBondContact O-N 3.49Å; Q693-W696 PolarHBondContact O-N 2.8Å; Q693-E697 HydrophobicContact CG-CG 4.27Å; Q693-E697 WeakPolarHBondContact CG-OE1 3.43Å; Q693-E697 PolarHBondContact NE2-OE1 3.03Å; Q693-E697 WeakPolarHBondContact O-CB 3.31Å; Q693-E697 WeakPolarHBondContact O-CG 3.22Å; Q693-E697 PolarHBondContact O-N 3.12Å |
| 694 | T | 97.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -56.5 | -49.1 | 171.2 | -54.4 | 0 | 0 | 0 | 0 | 111.1 | V650 I659 I678 H690 F691 W692 W696 Q698 M802 | V650-T694 HydrophobicContact CG1-CG2 4Å; V650-T694 HydrophobicContact CG2-CG2 4.41Å; I659-T694 WeakPolarHBondContact CD1-OG1 3.43Å; I678-T694 HydrophobicContact CD1-CG2 4.39Å; I678-T694 HydrophobicContact CG2-CG2 4.29Å; H690-T694 PolarHBondContact O-N 2.89Å; H690-T694 PolarHBondContact O-OG1 2.92Å; F691-T694 VanDerWaalsContact O-CB 3.29Å; F691-T694 WeakPolarHBondContact O-CB 3.45Å; F691-T694 PolarHBondContact O-N 2.92Å; W692-T694 VanDerWaalsContact C-N 3.34Å; T694-W696 VanDerWaalsContact C-N 3.28Å; T694-W696 PolarHBondContact O-N 3.47Å; T694-Q698 HydrophobicContact CG2-CG 4.18Å; T694-Q698 WeakPolarHBondContact O-CB 3.26Å; T694-Q698 VanDerWaalsContact O-CG 3.29Å; T694-Q698 WeakPolarHBondContact O-CG 3.43Å; T694-Q698 PolarHBondContact O-N 3.03Å; T694-M802 HydrophobicContact CG2-CE 3.95Å; T694-M802 HydrophobicContact CG2-SD 4.28Å |
| 695 | V | 97.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.9 | -38.5 | -179.9 | 169.5 | 0 | 0 | 0 | 0 | 111.7 | F691 W692 Q693 Q699 T700 I703 L753 V764 M802 | F691-V695 HydrophobicContact CD1-CG2 4.32Å; F691-V695 HydrophobicContact CE1-CG2 4.14Å; F691-V695 WeakPolarHBondContact O-CG2 3.31Å; F691-V695 PolarHBondContact O-N 3.34Å; W692-V695 HydrophobicContact CE3-CB 4.05Å; W692-V695 HydrophobicContact CE3-CG1 3.95Å; W692-V695 HydrophobicContact CE3-CG2 4.26Å; W692-V695 HydrophobicContact CZ3-CG1 4Å; W692-V695 PolarHBondContact O-N 3.2Å; Q693-V695 PolarHBondContact O-N 3.49Å; V695-Q699 PolarHBondContact O-N 3.16Å; V695-T700 WeakPolarHBondContact CA-OG1 3.26Å; V695-T700 WeakPolarHBondContact CG1-OG1 3.3Å; V695-T700 PolarHBondContact O-N 3.32Å; V695-I703 HydrophobicContact CG1-CD1 4.44Å; V695-I703 HydrophobicContact CG2-CD1 3.93Å; V695-I703 HydrophobicContact CG2-CG1 4.27Å; V695-L753 HydrophobicContact CB-CD2 4.4Å; V695-L753 HydrophobicContact CG1-CD2 3.74Å; V695-V764 HydrophobicContact CG1-CG2 4.13Å; V695-M802 HydrophobicContact CG2-CG 4.38Å |
| 696 | W | 96 | Very high | 96.7 | Very high | 30 Ų | 30 | 24.5 Ų | 24.5 | 11% | 0.114 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -70.5 | -58.1 | 176.2 | -174.9 | -90.9 | 0 | 0 | 0 | 112.7 | W692 Q693 T694 Q698 Q699 L733 L753 H755 E760 F762 | W692-W696 PolarHBondContact O-N 3.12Å; Q693-W696 PolarHBondContact O-N 2.8Å; T694-W696 VanDerWaalsContact C-N 3.28Å; T694-W696 PolarHBondContact O-N 3.47Å; W696-Q698 PolarHBondContact O-N 3.42Å; W696-Q699 PolarHBondContact O-N 3.44Å; W696-Q699 VanDerWaalsContact O-N 3.1Å; W696-Q699 PolarHBondContact O-NE2 2.77Å; W696-L733 HydrophobicContact CB-CD1 3.8Å; W696-L733 HydrophobicContact CB-CD2 3.97Å; W696-L733 HydrophobicContact CD2-CD2 3.57Å; W696-L733 HydrophobicContact CE3-CD2 3.52Å; W696-L733 HydrophobicContact CG-CD1 4.42Å; W696-L733 HydrophobicContact CG-CD2 3.76Å; W696-L733 HydrophobicContact CZ3-CD2 4.29Å; W696-L753 HydrophobicContact CB-CD2 4.22Å; W696-L753 HydrophobicContact CE3-CD2 3.83Å; W696-L753 HydrophobicContact CE3-CG 3.86Å; W696-L753 HydrophobicContact CZ3-CG 4.36Å; W696-H755 HydrophobicContact CD2-CB 4.31Å; W696-H755 HydrophobicContact CE3-CB 4.37Å; W696-H755 HydrophobicContact CH2-CB 3.54Å; W696-H755 HydrophobicContact CZ2-CB 3.44Å; W696-H755 VanDerWaalsContact CZ2-CB 3.44Å; W696-H755 HydrophobicContact CZ3-CB 4.02Å; W696-E760 HydrophobicContact CH2-CB 3.7Å; W696-E760 WeakPolarHBondContact CH2-O 3.29Å; W696-E760 HydrophobicContact CZ2-CB 4.01Å; W696-F762 AromaticContact CD2-CE1 3.96Å; W696-F762 HydrophobicContact CD2-CE1 3.96Å; W696-F762 AromaticContact CE3-CD1 3.9Å; W696-F762 HydrophobicContact CE3-CD1 3.9Å; W696-F762 AromaticContact CE3-CE1 3.32Å; W696-F762 HydrophobicContact CE3-CE1 3.32Å; W696-F762 HydrophobicContact CE3-CZ 4.15Å; W696-F762 HydrophobicContact CH2-CD1 4.15Å; W696-F762 HydrophobicContact CH2-CE1 4.26Å; W696-F762 AromaticContact CZ3-CD1 3.56Å; W696-F762 HydrophobicContact CZ3-CD1 3.56Å; W696-F762 AromaticContact CZ3-CE1 3.52Å; W696-F762 HydrophobicContact CZ3-CE1 3.52Å |
| 697 | E | 95.4 | Very high | 96.2 | Very high | 51 Ų | 51 | 19.7 Ų | 19.7 | 24% | 0.238 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -63.8 | -30.6 | -173.9 | -70.7 | 175.6 | -175.2 | 0 | 0 | 112.5 | L652 L653 Q693 | L652-E697 WeakPolarHBondContact CA-OE2 3.3Å; L653-E697 WeakPolarHBondContact CB-OE1 3.2Å; L653-E697 HydrophobicContact CD1-CG 4.33Å; L653-E697 PolarHBondContact N-OE1 3.1Å; L653-E697 PolarHBondContact N-OE2 3.44Å; Q693-E697 HydrophobicContact CG-CG 4.27Å; Q693-E697 WeakPolarHBondContact CG-OE1 3.43Å; Q693-E697 PolarHBondContact NE2-OE1 3.03Å; Q693-E697 WeakPolarHBondContact O-CB 3.31Å; Q693-E697 WeakPolarHBondContact O-CG 3.22Å; Q693-E697 PolarHBondContact O-N 3.12Å |
| 698 | Q | 94.9 | Very high | 95.5 | Very high | 53 Ų | 53 | 21.5 Ų | 21.5 | 25% | 0.248 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 5.6 | 179.9 | -53.9 | -65.2 | -33.8 | 0 | 0 | 113.2 | H663 I678 T694 W696 T700 | H663-Q698 PolarHBondContact CE1-OE1 2.65Å; I678-Q698 HydrophobicContact CD1-CB 3.45Å; I678-Q698 VanDerWaalsContact CD1-CB 3.45Å; I678-Q698 HydrophobicContact CD1-CG 3.57Å; T694-Q698 HydrophobicContact CG2-CG 4.18Å; T694-Q698 WeakPolarHBondContact O-CB 3.26Å; T694-Q698 VanDerWaalsContact O-CG 3.29Å; T694-Q698 WeakPolarHBondContact O-CG 3.43Å; T694-Q698 PolarHBondContact O-N 3.03Å; W696-Q698 PolarHBondContact O-N 3.42Å; Q698-T700 VanDerWaalsContact C-N 3.28Å; Q698-T700 HydrophobicContact CB-CG2 3.96Å; Q698-T700 PolarHBondContact O-N 3.41Å |
| 699 | Q | 93.1 | Very high | 94.5 | Very high | 92 Ų | 92 | 23.6 Ų | 23.6 | 43% | 0.43 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.4 | 41.6 | 177.1 | -60.7 | -74.2 | -74.6 | 0 | 0 | 113.5 | V695 W696 H701 | V695-Q699 PolarHBondContact O-N 3.16Å; W696-Q699 PolarHBondContact O-N 3.44Å; W696-Q699 VanDerWaalsContact O-N 3.1Å; W696-Q699 PolarHBondContact O-NE2 2.77Å; Q699-H701 PolarHBondContact O-CD2 3.32Å; Q699-H701 VanDerWaalsContact O-CD2 3.28Å; Q699-H701 PolarHBondContact O-N 3.1Å; Q699-H701 VanDerWaalsContact O-N 3.17Å |
| 700 | T | 94.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.124 | C | C | . | . | trans | -83.3 | 97.4 | -174.8 | 67.5 | 0 | 0 | 0 | 0 | 111.3 | I678 V695 Q698 T702 P800 M802 | I678-T700 HydrophobicContact CD1-CG2 3.97Å; V695-T700 WeakPolarHBondContact CA-OG1 3.26Å; V695-T700 WeakPolarHBondContact CG1-OG1 3.3Å; V695-T700 PolarHBondContact O-N 3.32Å; Q698-T700 VanDerWaalsContact C-N 3.28Å; Q698-T700 HydrophobicContact CB-CG2 3.96Å; Q698-T700 PolarHBondContact O-N 3.41Å; T700-T702 PolarHBondContact O-N 2.81Å; T700-P800 HydrophobicContact CG2-CG 4.14Å; T700-M802 HydrophobicContact CG2-CB 4.22Å | ||
| 701 | H | 95.6 | Very high | 91.5 | Very high | 43 Ų | 43 | 24.2 Ų | 24.2 | 20% | 0.199 | 12% | 0.122 | C | C | . | . | trans | -72.4 | -7.9 | 179 | -68.4 | -79.1 | 0 | 0 | 0 | 115 | Q699 F762 S763 V764 T765 K796 E799 | Q699-H701 PolarHBondContact O-CD2 3.32Å; Q699-H701 VanDerWaalsContact O-CD2 3.28Å; Q699-H701 PolarHBondContact O-N 3.1Å; Q699-H701 VanDerWaalsContact O-N 3.17Å; H701-F762 AromaticContact CE1-CD2 3.49Å; H701-F762 VanDerWaalsContact CE1-CD2 3.49Å; H701-F762 WeakPolarHBondContact CE1-CD2 3.25Å; H701-F762 AromaticContact CE1-CG 3.79Å; H701-F762 AromaticContact ND1-CD2 3.45Å; H701-F762 WeakPolarHBondContact ND1-CD2 3.45Å; H701-S763 PolarHBondContact ND1-O 3.3Å; H701-S763 VanDerWaalsContact ND1-O 3.17Å; H701-V764 WeakPolarHBondContact O-CA 3.38Å; H701-T765 PolarHBondContact O-N 3.29Å; H701-K796 PolarHBondContact CD2-NZ 3.2Å; H701-E799 IonicContact CD2-OE1 2.79Å; H701-E799 IonicContact CD2-OE2 3.9Å; H701-E799 PolarHBondContact CD2-OE2 2.9Å; H701-E799 VanDerWaalsContact CD2-OE2 3.31Å; H701-E799 IonicContact CG-OE2 3.79Å | ||
| 702 | T | 97.3 | Very high | 89.4 | Confident | 9 Ų | 9 | 32.4 Ų | 32.4 | 6% | 0.055 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 128.7 | 178.4 | -71.7 | 0 | 0 | 0 | 0 | 111.9 | T700 I704 T765 L801 M802 | T700-T702 PolarHBondContact O-N 2.81Å; T702-I704 HydrophobicContact CG2-CD1 3.58Å; T702-I704 HydrophobicContact CG2-CG1 4.28Å; T702-T765 CarbonylContact C-O 3.6Å; T702-T765 VanDerWaalsContact CA-O 3.29Å; T702-T765 WeakPolarHBondContact CA-O 3.36Å; T702-L801 HydrophobicContact CG2-CD2 3.99Å; T702-M802 PolarHBondContact O-N 3.14Å; T702-M802 VanDerWaalsContact O-N 3.12Å |
| 703 | I | 98.6 | Very high | 87.1 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 131.4 | 176.7 | -54.2 | 166.9 | 0 | 0 | 0 | 109.6 | F691 W692 V695 Y720 V764 T765 H766 L767 M802 | F691-I703 HydrophobicContact CE1-CD1 4.29Å; F691-I703 HydrophobicContact CZ-CG2 4.18Å; W692-I703 HydrophobicContact CH2-CD1 3.94Å; W692-I703 HydrophobicContact CZ3-CD1 3.92Å; V695-I703 HydrophobicContact CG1-CD1 4.44Å; V695-I703 HydrophobicContact CG2-CD1 3.93Å; V695-I703 HydrophobicContact CG2-CG1 4.27Å; I703-Y720 WeakPolarHBondContact CG2-OH 3.5Å; I703-V764 HydrophobicContact CD1-CG1 3.63Å; I703-V764 HydrophobicContact CG1-CG1 3.81Å; I703-T765 PolarHBondContact N-O 2.81Å; I703-H766 HydrophobicContact CB-CB 4.37Å; I703-H766 CarbonylContact O-C 3.55Å; I703-H766 WeakPolarHBondContact O-CA 3.35Å; I703-L767 PolarHBondContact O-N 3.43Å; I703-M802 CarbonylContact C-O 3.54Å; I703-M802 WeakPolarHBondContact CA-O 3.34Å; I703-M802 HydrophobicContact CB-CB 4.48Å; I703-M802 HydrophobicContact CG1-CB 4.14Å; I703-M802 HydrophobicContact CG1-CG 4.38Å; I703-M802 HydrophobicContact CG2-CB 4.43Å; I703-M802 HydrophobicContact CG2-CG 4.26Å |
| 704 | I | 98.4 | Very high | 85.4 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 109.7 | -178.9 | -52.2 | -55 | 0 | 0 | 0 | 109 | T702 L706 L767 F787 V791 M802 V803 H804 L815 | T702-I704 HydrophobicContact CG2-CD1 3.58Å; T702-I704 HydrophobicContact CG2-CG1 4.28Å; I704-L706 HydrophobicContact CG2-CD2 4.04Å; I704-L706 HydrophobicContact CG2-CG 4.19Å; I704-L767 WeakPolarHBondContact CA-O 3.25Å; I704-L767 HydrophobicContact CD1-CB 3.92Å; I704-L767 HydrophobicContact CD1-CD1 3.85Å; I704-L767 HydrophobicContact CD1-CG 4.25Å; I704-F787 HydrophobicContact CG2-CE1 3.89Å; I704-F787 HydrophobicContact CG2-CZ 3.99Å; I704-V791 HydrophobicContact CD1-CB 4.43Å; I704-V791 HydrophobicContact CD1-CG1 4.02Å; I704-V791 HydrophobicContact CD1-CG2 3.72Å; I704-V791 HydrophobicContact CG1-CG1 4.24Å; I704-V791 HydrophobicContact CG1-CG2 4.41Å; I704-M802 PolarHBondContact N-O 2.78Å; I704-V803 HydrophobicContact CB-CB 4.37Å; I704-V803 HydrophobicContact CB-CG1 4.03Å; I704-V803 HydrophobicContact CB-CG2 4.17Å; I704-V803 HydrophobicContact CG1-CG2 4.33Å; I704-V803 HydrophobicContact CG2-CG1 4.06Å; I704-V803 WeakPolarHBondContact O-CA 3.42Å; I704-H804 PolarHBondContact O-N 3.14Å; I704-L815 HydrophobicContact CG2-CD1 3.88Å |
| 705 | M | 97.6 | Very high | 84.3 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 118.1 | 179.7 | 178.2 | 172.4 | -172.7 | 0 | 0 | 110.1 | T707 L709 C717 Y720 W721 L767 Q768 Y769 H804 | M705-T707 HydrophobicContact CE-CG2 3.61Å; M705-T707 WeakPolarHBondContact CE-O 3.35Å; M705-T707 HydrophobicContact CG-CG2 4.03Å; M705-L709 HydrophobicContact CE-CD2 4.14Å; M705-C717 HydrophobicContact CE-CB 3.68Å; M705-Y720 HydrophobicContact SD-CE1 4.49Å; M705-W721 HydrophobicContact CE-CH2 3.93Å; M705-W721 HydrophobicContact CE-CZ3 4.11Å; M705-W721 HydrophobicContact SD-CH2 3.7Å; M705-W721 HydrophobicContact SD-CZ3 3.68Å; M705-L767 PolarHBondContact N-O 3.07Å; M705-Q768 HydrophobicContact CB-CB 4.11Å; M705-Q768 HydrophobicContact CB-CG 4.1Å; M705-Q768 HydrophobicContact CG-CB 4.38Å; M705-Q768 HydrophobicContact CG-CG 3.84Å; M705-Q768 CarbonylContact O-C 3.59Å; M705-Q768 VanDerWaalsContact O-CA 3.25Å; M705-Q768 WeakPolarHBondContact O-CA 3.48Å; M705-Q768 HydrophobicContact SD-CB 4.42Å; M705-Q768 HydrophobicContact SD-CG 3.85Å; M705-Y769 PolarHBondContact O-N 3.03Å; M705-H804 WeakPolarHBondContact CB-NE2 3.27Å; M705-H804 WeakPolarHBondContact CG-CE1 3.47Å; M705-H804 WeakPolarHBondContact CG-NE2 3.18Å |
| 706 | L | 95.1 | Very high | 83.8 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | trans | -110.7 | 50.7 | -176.8 | -57.7 | 173.9 | 0 | 0 | 0 | 111 | I704 W772 F787 V803 H804 C805 R811 L815 | I704-L706 HydrophobicContact CG2-CD2 4.04Å; I704-L706 HydrophobicContact CG2-CG 4.19Å; L706-W772 HydrophobicContact CB-CE3 4.48Å; L706-W772 HydrophobicContact CD1-CZ3 4.38Å; L706-W772 HydrophobicContact CD2-CZ3 4.48Å; L706-F787 HydrophobicContact CD2-CD1 4.48Å; L706-F787 HydrophobicContact CD2-CE1 3.71Å; L706-F787 HydrophobicContact CD2-CZ 4.29Å; L706-V803 HydrophobicContact CD1-CG1 4.14Å; L706-H804 PolarHBondContact N-O 2.74Å; L706-C805 HydrophobicContact CB-CB 4.07Å; L706-C805 VanDerWaalsContact O-CB 3.3Å; L706-C805 WeakPolarHBondContact O-CB 3.44Å; L706-R811 HydrophobicContact CB-CB 4Å; L706-R811 HydrophobicContact CD1-CB 4.33Å; L706-R811 WeakPolarHBondContact CD1-O 3.47Å; L706-R811 VanDerWaalsContact O-CD 3.32Å; L706-R811 WeakPolarHBondContact O-CD 3.36Å; L706-R811 PolarHBondContact O-NE 2.76Å; L706-R811 PolarHBondContact O-NH1 3.37Å; L706-L815 HydrophobicContact CD1-CB 3.8Å; L706-L815 HydrophobicContact CD1-CD1 4.03Å; L706-L815 HydrophobicContact CD1-CG 4.48Å; L706-L815 HydrophobicContact CD2-CD1 3.92Å | ||
| 707 | T | 84.8 | Confident | 83.5 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.006 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -165.3 | 152.3 | -178.1 | -166 | 0 | 0 | 0 | 0 | 110.6 | M705 E711 C717 Q768 R811 | M705-T707 HydrophobicContact CE-CG2 3.61Å; M705-T707 WeakPolarHBondContact CE-O 3.35Å; M705-T707 HydrophobicContact CG-CG2 4.03Å; T707-E711 PolarHBondContact OG1-OE1 2.87Å; T707-E711 VanDerWaalsContact OG1-OE1 3.09Å; T707-C717 HydrophobicContact CG2-CB 4.01Å; T707-Q768 PolarHBondContact O-NE2 3.34Å; T707-R811 PolarHBondContact OG1-NH2 2.9Å |
| 708 | T | 83.4 | Confident | 83.1 | Confident | 43 Ų | 43 | 47.9 Ų | 47.9 | 26% | 0.264 | 24% | 0.244 | S | C | . | . | trans | -78.2 | 169.2 | 158.3 | 53.6 | 0 | 0 | 0 | 0 | 110 | T710 E711 V770 | T708-T710 PolarHBondContact OG1-O 2.9Å; T708-E711 PolarHBondContact N-OE1 2.66Å; T708-E711 WeakPolarHBondContact OG1-CG 3.41Å; T708-E711 PolarHBondContact OG1-OE1 2.79Å; T708-V770 HydrophobicContact CG2-CB 4.34Å; T708-V770 HydrophobicContact CG2-CG1 4.34Å | ||
| 709 | L | 76.4 | Confident | 83 | Confident | 48 Ų | 48 | 47.6 Ų | 47.6 | 25% | 0.251 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -65.7 | -42.6 | 174.7 | -66.8 | 173.2 | 0 | 0 | 0 | 111.4 | M705 T715 K716 C717 Q719 W721 | M705-L709 HydrophobicContact CE-CD2 4.14Å; L709-T715 CarbonylContact O-C 3.54Å; L709-K716 PolarHBondContact O-N 2.85Å; L709-C717 HydrophobicContact CD2-CB 4.29Å; L709-C717 WeakPolarHBondContact CD2-O 3.34Å; L709-C717 PolarHBondContact O-N 2.82Å; L709-C717 VanDerWaalsContact O-N 3.1Å; L709-Q719 HydrophobicContact CD1-CB 4.05Å; L709-Q719 HydrophobicContact CD1-CG 4.37Å; L709-Q719 HydrophobicContact CD2-CB 4.03Å; L709-W721 HydrophobicContact CD2-CH2 3.74Å; L709-W721 HydrophobicContact CD2-CZ2 4.42Å; L709-W721 HydrophobicContact CD2-CZ3 4.31Å; L709-W721 HydrophobicContact CG-CH2 4.32Å |
| 710 | T | 68.1 | Low | 83.2 | Confident | 80 Ų | 80 | 43.2 Ų | 43.2 | 49% | 0.491 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 141.8 | 178.6 | 48.9 | 0 | 0 | 0 | 0 | 111.1 | T708 R714 | T708-T710 PolarHBondContact OG1-O 2.9Å; T710-R714 WeakPolarHBondContact CA-O 3.43Å |
| 711 | E | 64.3 | Low | 83.3 | Confident | 11 Ų | 11 | 43.4 Ų | 43.4 | 5% | 0.051 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 125.1 | 179.2 | -69.2 | 178.1 | 172.1 | 0 | 0 | 107.3 | T707 T708 G713 R714 K716 D774 R811 | T707-E711 PolarHBondContact OG1-OE1 2.87Å; T707-E711 VanDerWaalsContact OG1-OE1 3.09Å; T708-E711 PolarHBondContact N-OE1 2.66Å; T708-E711 WeakPolarHBondContact OG1-CG 3.41Å; T708-E711 PolarHBondContact OG1-OE1 2.79Å; E711-G713 VanDerWaalsContact C-N 3.25Å; E711-G713 PolarHBondContact O-N 3.28Å; E711-R714 PolarHBondContact N-O 3.25Å; E711-R714 PolarHBondContact O-N 2.94Å; E711-K716 HydrophobicContact CB-CD 4.17Å; E711-K716 HydrophobicContact CB-CG 3.59Å; E711-K716 HydrophobicContact CG-CG 3.73Å; E711-K716 WeakPolarHBondContact OE2-CD 3.25Å; E711-K716 WeakPolarHBondContact OE2-CG 3.48Å; E711-K716 IonicContact OE2-NZ 3.71Å; E711-K716 PolarHBondContact OE2-NZ 2.82Å; E711-D774 HydrophobicContact CB-CB 4.32Å; E711-D774 HydrophobicContact CG-CB 4.44Å; E711-R811 VanDerWaalsContact CD-NH2 3.26Å; E711-R811 IonicContact OE1-CZ 2.7Å; E711-R811 VanDerWaalsContact OE1-CZ 3.23Å; E711-R811 IonicContact OE1-NH1 2.69Å; E711-R811 PolarHBondContact OE1-NH1 2.88Å; E711-R811 IonicContact OE1-NH2 3.18Å; E711-R811 PolarHBondContact OE1-NH2 3.05Å; E711-R811 IonicContact OE2-CZ 3.67Å; E711-R811 IonicContact OE2-NH1 2.74Å; E711-R811 IonicContact OE2-NH2 3.14Å; E711-R811 PolarHBondContact OE2-NH2 2.91Å |
| 712 | R | 55.5 | Low | 83 | Confident | 174 Ų | 174 | 41.5 Ų | 41.5 | 66% | 0.657 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 44.2 | 47 | -168.7 | -69.3 | 165 | -161.8 | -138.2 | 4.7 | 113.4 | R714 D774 H775 | R712-R714 PolarHBondContact O-N 2.94Å; R712-R714 VanDerWaalsContact O-N 3.15Å; R712-D774 WeakPolarHBondContact CD-OD2 3.34Å; R712-D774 WeakPolarHBondContact CG-OD2 3.45Å; R712-D774 IonicContact NE-OD2 3.39Å; R712-D774 PolarHBondContact NE-OD2 3.04Å; R712-D774 VanDerWaalsContact NE-OD2 3.11Å; R712-D774 PolarHBondContact NH2-O 3.09Å; R712-H775 PolarHBondContact NE-CD2 3.08Å; R712-H775 VanDerWaalsContact NE-CD2 3.32Å |
| 713 | G | 48.1 | Very low | 82.1 | Confident | 77 Ų | 77 | 45.2 Ų | 45.2 | 79% | 0.794 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.8 | -2.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | E711 | E711-G713 VanDerWaalsContact C-N 3.25Å; E711-G713 PolarHBondContact O-N 3.28Å |
| 714 | R | 61.7 | Low | 81.1 | Confident | 194 Ų | 194 | 47.5 Ų | 47.5 | 73% | 0.732 | 25% | 0.246 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 133.3 | -179.2 | -64.2 | 177.6 | 174.9 | 178.2 | -3.3 | 111.1 | T710 E711 R712 K716 | T710-R714 WeakPolarHBondContact CA-O 3.43Å; E711-R714 PolarHBondContact N-O 3.25Å; E711-R714 PolarHBondContact O-N 2.94Å; R712-R714 PolarHBondContact O-N 2.94Å; R712-R714 VanDerWaalsContact O-N 3.15Å; R714-K716 PolarHBondContact O-N 3.44Å |
| 715 | T | 73.8 | Confident | 80.2 | Confident | 85 Ų | 85 | 52.3 Ų | 52.3 | 52% | 0.521 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 107.9 | 178.8 | -52.4 | 0 | 0 | 0 | 0 | 111.7 | R638 L709 C717 | R638-T715 PolarHBondContact NH1-O 3.2Å; L709-T715 CarbonylContact O-C 3.54Å; T715-C717 WeakPolarHBondContact CG2-O 3.43Å |
| 716 | K | 86.9 | Confident | 79.3 | Confident | 31 Ų | 31 | 57.4 Ų | 57.4 | 14% | 0.135 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -90.5 | -27.1 | 177.4 | -59.7 | -75.4 | -179.7 | 85.7 | 0 | 112.3 | R638 L709 E711 R714 D774 S806 | R638-K716 PolarHBondContact NE-O 3.14Å; R638-K716 PolarHBondContact NH1-O 2.88Å; L709-K716 PolarHBondContact O-N 2.85Å; E711-K716 HydrophobicContact CB-CD 4.17Å; E711-K716 HydrophobicContact CB-CG 3.59Å; E711-K716 HydrophobicContact CG-CG 3.73Å; E711-K716 WeakPolarHBondContact OE2-CD 3.25Å; E711-K716 WeakPolarHBondContact OE2-CG 3.48Å; E711-K716 IonicContact OE2-NZ 3.71Å; E711-K716 PolarHBondContact OE2-NZ 2.82Å; R714-K716 PolarHBondContact O-N 3.44Å; K716-D774 IonicContact NZ-OD1 3.72Å; K716-D774 PolarHBondContact NZ-OD1 2.87Å; K716-S806 PolarHBondContact O-OG 3.43Å; K716-S806 VanDerWaalsContact O-OG 3.09Å |
| 717 | C | 90.3 | Very high | 79.2 | Confident | 1 Ų | 1 | 61.2 Ų | 61.2 | 1% | 0.007 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -146.3 | 140.2 | 173.6 | -169.4 | 0 | 0 | 0 | 0 | 109.8 | M705 T707 L709 T715 | M705-C717 HydrophobicContact CE-CB 3.68Å; T707-C717 HydrophobicContact CG2-CB 4.01Å; L709-C717 HydrophobicContact CD2-CB 4.29Å; L709-C717 WeakPolarHBondContact CD2-O 3.34Å; L709-C717 PolarHBondContact O-N 2.82Å; L709-C717 VanDerWaalsContact O-N 3.1Å; T715-C717 WeakPolarHBondContact CG2-O 3.43Å |
| 718 | H | 87.4 | Confident | 79.7 | Confident | 63 Ų | 63 | 65.4 Ų | 65.4 | 29% | 0.292 | 34% | 0.343 | S | S | . | . | trans | -78.2 | 152.3 | 165.7 | -172.2 | 77.7 | 0 | 0 | 0 | 109.9 | P683 P685 Y720 | P683-H718 WeakPolarHBondContact O-CB 3.39Å; P683-H718 PolarHBondContact O-N 2.81Å; P685-H718 HydrophobicContact CG-CB 4.41Å; H718-Y720 PolarHBondContact O-N 2.83Å; H718-Y720 VanDerWaalsContact O-N 3.14Å | ||
| 719 | Q | 92.9 | Very high | 80.3 | Confident | 48 Ų | 48 | 67.2 Ų | 67.2 | 22% | 0.224 | 35% | 0.351 | C | S | . | . | trans | -77.9 | 100 | 176.3 | -168.9 | 178.5 | -63.4 | 0 | 0 | 110 | L709 W721 H723 | L709-Q719 HydrophobicContact CD1-CB 4.05Å; L709-Q719 HydrophobicContact CD1-CG 4.37Å; L709-Q719 HydrophobicContact CD2-CB 4.03Å; Q719-W721 VanDerWaalsContact C-N 3.29Å; Q719-W721 HydrophobicContact CG-CD2 3.7Å; Q719-W721 HydrophobicContact CG-CE3 4.13Å; Q719-W721 HydrophobicContact CG-CG 4.13Å; Q719-W721 HydrophobicContact CG-CH2 4.25Å; Q719-W721 HydrophobicContact CG-CZ2 3.81Å; Q719-W721 HydrophobicContact CG-CZ3 4.39Å; Q719-W721 PolarHBondContact NE2-O 2.79Å; Q719-W721 PolarHBondContact O-N 2.57Å; Q719-H723 PolarHBondContact NE2-CE1 3.05Å; Q719-H723 PolarHBondContact NE2-NE2 3.29Å; Q719-H723 PolarHBondContact OE1-CE1 3.47Å | ||
| 720 | Y | 96.8 | Very high | 81.1 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 34% | 0.341 | C | S | . | . | trans | -88 | 10.8 | -179.5 | 62.1 | -94.5 | 0 | 0 | 0 | 113.4 | P683 F691 W692 I703 M705 H718 Y730 H766 H804 | P683-Y720 HydrophobicContact CB-CD1 4.19Å; P683-Y720 HydrophobicContact CG-CD1 3.62Å; P683-Y720 HydrophobicContact CG-CE1 4.11Å; P683-Y720 HydrophobicContact CG-CG 4.08Å; F691-Y720 AromaticContact CD1-CD2 3.95Å; F691-Y720 HydrophobicContact CD1-CD2 3.95Å; F691-Y720 AromaticContact CD1-CE2 3.98Å; F691-Y720 HydrophobicContact CD1-CE2 3.98Å; F691-Y720 HydrophobicContact CD1-CG 4.4Å; F691-Y720 AromaticContact CE1-CD2 3.78Å; F691-Y720 HydrophobicContact CE1-CD2 3.78Å; F691-Y720 HydrophobicContact CE1-CE1 4.25Å; F691-Y720 AromaticContact CE1-CE2 3.31Å; F691-Y720 HydrophobicContact CE1-CE2 3.31Å; F691-Y720 HydrophobicContact CE1-CG 4.41Å; F691-Y720 AromaticContact CE1-CZ 3.55Å; F691-Y720 HydrophobicContact CZ-CE1 4.19Å; F691-Y720 AromaticContact CZ-CE2 3.95Å; F691-Y720 HydrophobicContact CZ-CE2 3.95Å; F691-Y720 AromaticContact CZ-CZ 3.67Å; W692-Y720 AromaticContact CE2-CD2 3.84Å; W692-Y720 AromaticContact CZ2-CD2 3.73Å; W692-Y720 HydrophobicContact CZ2-CD2 3.73Å; W692-Y720 HydrophobicContact CZ2-CE2 4Å; W692-Y720 AromaticContact NE1-CD2 3.75Å; W692-Y720 PolarHBondContact NE1-O 3.48Å; I703-Y720 WeakPolarHBondContact CG2-OH 3.5Å; M705-Y720 HydrophobicContact SD-CE1 4.49Å; H718-Y720 PolarHBondContact O-N 2.83Å; H718-Y720 VanDerWaalsContact O-N 3.14Å; Y720-Y730 VanDerWaalsContact O-CZ 3.24Å; Y720-Y730 PolarHBondContact O-OH 3.16Å; Y720-H766 AromaticContact CZ-NE2 3.8Å; Y720-H766 PolarHBondContact OH-CD2 2.63Å; Y720-H766 VanDerWaalsContact OH-CD2 3.3Å; Y720-H766 PolarHBondContact OH-NE2 2.78Å; Y720-H766 VanDerWaalsContact OH-NE2 3.12Å; Y720-H804 AromaticContact CE1-CE1 3.78Å; Y720-H804 AromaticContact CE1-NE2 3.48Å; Y720-H804 WeakPolarHBondContact CE1-NE2 3.47Å; Y720-H804 AromaticContact CZ-NE2 3.58Å; Y720-H804 PolarHBondContact OH-NE2 3.27Å | ||
| 721 | W | 95.7 | Very high | 82.3 | Confident | 3 Ų | 3 | 63.9 Ų | 63.9 | 1% | 0.011 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -125.9 | 148.5 | 178.9 | 63.1 | 89.7 | 0 | 0 | 0 | 112.3 | M705 L709 Q719 R749 F751 | M705-W721 HydrophobicContact CE-CH2 3.93Å; M705-W721 HydrophobicContact CE-CZ3 4.11Å; M705-W721 HydrophobicContact SD-CH2 3.7Å; M705-W721 HydrophobicContact SD-CZ3 3.68Å; L709-W721 HydrophobicContact CD2-CH2 3.74Å; L709-W721 HydrophobicContact CD2-CZ2 4.42Å; L709-W721 HydrophobicContact CD2-CZ3 4.31Å; L709-W721 HydrophobicContact CG-CH2 4.32Å; Q719-W721 VanDerWaalsContact C-N 3.29Å; Q719-W721 HydrophobicContact CG-CD2 3.7Å; Q719-W721 HydrophobicContact CG-CE3 4.13Å; Q719-W721 HydrophobicContact CG-CG 4.13Å; Q719-W721 HydrophobicContact CG-CH2 4.25Å; Q719-W721 HydrophobicContact CG-CZ2 3.81Å; Q719-W721 HydrophobicContact CG-CZ3 4.39Å; Q719-W721 PolarHBondContact NE2-O 2.79Å; Q719-W721 PolarHBondContact O-N 2.57Å; W721-R749 VanDerWaalsContact CE2-CZ 3.47Å; W721-R749 VanDerWaalsContact CZ2-CZ 3.49Å; W721-R749 VanDerWaalsContact CZ2-NH1 3.25Å; W721-F751 HydrophobicContact CB-CE1 3.68Å; W721-F751 HydrophobicContact CB-CE2 4.43Å; W721-F751 HydrophobicContact CB-CZ 3.45Å; W721-F751 VanDerWaalsContact CB-CZ 3.45Å; W721-F751 HydrophobicContact CG-CE1 4.26Å; W721-F751 AromaticContact CG-CZ 3.86Å; W721-F751 HydrophobicContact CG-CZ 3.86Å |
| 722 | P | 89.7 | Confident | 83.6 | Confident | 4 Ų | 4 | 68 Ų | 68 | 3% | 0.026 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -72.6 | 157.8 | 167.8 | 30.1 | -32.4 | 0 | 0 | 0 | 111.6 | E726 K728 V735 C737 | P722-E726 HydrophobicContact CB-CB 3.97Å; P722-K728 HydrophobicContact CB-CB 3.86Å; P722-K728 HydrophobicContact CG-CB 4.13Å; P722-V735 HydrophobicContact CG-CG1 4.2Å; P722-C737 HydrophobicContact CG-CB 4.17Å; P722-C737 WeakPolarHBondContact O-CB 3.35Å |
| 723 | H | 78.1 | Confident | 85.6 | Confident | 86 Ų | 86 | 60.1 Ų | 60.1 | 40% | 0.398 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -77.2 | 148.9 | 171.1 | -66.5 | -69.6 | 0 | 0 | 0 | 110 | Q719 E726 | Q719-H723 PolarHBondContact NE2-CE1 3.05Å; Q719-H723 PolarHBondContact NE2-NE2 3.29Å; Q719-H723 PolarHBondContact OE1-CE1 3.47Å; H723-E726 PolarHBondContact N-OE2 2.95Å; H723-E726 WeakPolarHBondContact O-CA 3.44Å; H723-E726 WeakPolarHBondContact O-CB 3.32Å; H723-E726 VanDerWaalsContact O-CG 3.27Å; H723-E726 WeakPolarHBondContact O-CG 3.5Å; H723-E726 PolarHBondContact O-N 2.87Å |
| 724 | P | 79.1 | Confident | 87.9 | Confident | 48 Ų | 48 | 56.8 Ų | 56.8 | 31% | 0.312 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | 136.2 | 175.3 | 27.2 | -32.5 | 0 | 0 | 0 | 110.4 | C737 E740 | P724-C737 HydrophobicContact CB-CB 4.26Å; P724-E740 HydrophobicContact CG-CB 3.92Å |
| 725 | P | 78.6 | Confident | 89.6 | Confident | 101 Ų | 101 | 47.5 Ų | 47.5 | 66% | 0.656 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -100.2 | 18.7 | 9.5 | 40.5 | -36.7 | 0 | 0 | 0 | 114.6 | C737 | P725-C737 CarbonylContact C-O 3.54Å; P725-C737 WeakPolarHBondContact CA-O 3.41Å |
| 726 | E | 79.7 | Confident | 90.6 | Very high | 107 Ų | 107 | 47.3 Ų | 47.3 | 50% | 0.5 | 25% | 0.252 | S | S | . | . | trans | -67.3 | 164.4 | -168.6 | -50.9 | 166.4 | 157.2 | 0 | 0 | 113.4 | P722 H723 C737 | P722-E726 HydrophobicContact CB-CB 3.97Å; H723-E726 PolarHBondContact N-OE2 2.95Å; H723-E726 WeakPolarHBondContact O-CA 3.44Å; H723-E726 WeakPolarHBondContact O-CB 3.32Å; H723-E726 VanDerWaalsContact O-CG 3.27Å; H723-E726 WeakPolarHBondContact O-CG 3.5Å; H723-E726 PolarHBondContact O-N 2.87Å; E726-C737 PolarHBondContact O-N 3.31Å; E726-C737 VanDerWaalsContact O-N 3.15Å | ||
| 727 | V | 92.5 | Very high | 90.8 | Very high | 80 Ų | 80 | 45.8 Ų | 45.8 | 49% | 0.485 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 134.3 | 174.3 | -169.9 | 0 | 0 | 0 | 0 | 108.3 | S734 V735 K736 | V727-S734 WeakPolarHBondContact CG1-OG 3.3Å; V727-V735 CarbonylContact C-O 3.5Å; V727-V735 VanDerWaalsContact CA-O 3.3Å; V727-V735 WeakPolarHBondContact CA-O 3.34Å; V727-V735 WeakPolarHBondContact CG1-O 3.23Å; V727-K736 HydrophobicContact CG1-CB 4.44Å; V727-K736 HydrophobicContact CG2-CB 3.96Å; V727-K736 HydrophobicContact CG2-CD 4.02Å; V727-K736 HydrophobicContact CG2-CG 3.92Å |
| 728 | K | 93.9 | Very high | 90.7 | Very high | 90 Ų | 90 | 50.1 Ų | 50.1 | 39% | 0.391 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 136.4 | 174.9 | -178.8 | 168.2 | 169.7 | -171.2 | 0 | 110.4 | P722 Y730 V735 | P722-K728 HydrophobicContact CB-CB 3.86Å; P722-K728 HydrophobicContact CG-CB 4.13Å; K728-Y730 HydrophobicContact CB-CE2 4.17Å; K728-Y730 HydrophobicContact CD-CE2 4.38Å; K728-Y730 VanDerWaalsContact CD-OH 3.26Å; K728-Y730 WeakPolarHBondContact CD-OH 3.31Å; K728-Y730 VanDerWaalsContact CE-OH 3.23Å; K728-Y730 WeakPolarHBondContact CE-OH 3.3Å; K728-Y730 HydrophobicContact CG-CE2 3.93Å; K728-Y730 PolarHBondContact NZ-OH 3.01Å; K728-V735 PolarHBondContact N-O 3.07Å; K728-V735 PolarHBondContact O-N 2.88Å |
| 729 | D | 96 | Very high | 90.3 | Very high | 80 Ų | 80 | 48.6 Ų | 48.6 | 43% | 0.428 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 143 | -175.7 | -70.9 | -34.8 | 0 | 0 | 0 | 112.4 | L733 S734 K756 | D729-L733 WeakPolarHBondContact CA-O 3.44Å; D729-S734 WeakPolarHBondContact OD1-CA 3.49Å; D729-S734 WeakPolarHBondContact OD1-CB 3.44Å; D729-S734 PolarHBondContact OD1-OG 2.95Å; D729-K756 WeakPolarHBondContact OD1-CE 3.3Å; D729-K756 IonicContact OD1-NZ 3.49Å; D729-K756 PolarHBondContact OD1-NZ 2.84Å; D729-K756 VanDerWaalsContact OD2-CE 3.25Å; D729-K756 WeakPolarHBondContact OD2-CE 3.33Å; D729-K756 IonicContact OD2-NZ 2.68Å; D729-K756 PolarHBondContact OD2-NZ 2.99Å |
| 730 | Y | 94.6 | Very high | 89.7 | Confident | 11 Ų | 11 | 50.3 Ų | 50.3 | 4% | 0.043 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 82.9 | -179.4 | -66.5 | -76.2 | 0 | 0 | 0 | 107.9 | C688 W692 Y720 K728 H732 L733 V735 | C688-Y730 HydrophobicContact CB-CD1 3.96Å; C688-Y730 HydrophobicContact CB-CE1 3.69Å; W692-Y730 AromaticContact CD1-CD1 3.91Å; W692-Y730 AromaticContact CD1-CD2 3.42Å; W692-Y730 VanDerWaalsContact CD1-CD2 3.42Å; W692-Y730 AromaticContact CD1-CE2 3.74Å; W692-Y730 AromaticContact CD1-CG 3.5Å; W692-Y730 VanDerWaalsContact CD1-CG 3.5Å; W692-Y730 HydrophobicContact CG-CD2 4.17Å; W692-Y730 HydrophobicContact CG-CG 4.27Å; W692-Y730 AromaticContact NE1-CD2 3.71Å; W692-Y730 AromaticContact NE1-CE2 3.56Å; W692-Y730 AromaticContact NE1-CZ 3.96Å; Y720-Y730 VanDerWaalsContact O-CZ 3.24Å; Y720-Y730 PolarHBondContact O-OH 3.16Å; K728-Y730 HydrophobicContact CB-CE2 4.17Å; K728-Y730 HydrophobicContact CD-CE2 4.38Å; K728-Y730 VanDerWaalsContact CD-OH 3.26Å; K728-Y730 WeakPolarHBondContact CD-OH 3.31Å; K728-Y730 VanDerWaalsContact CE-OH 3.23Å; K728-Y730 WeakPolarHBondContact CE-OH 3.3Å; K728-Y730 HydrophobicContact CG-CE2 3.93Å; K728-Y730 PolarHBondContact NZ-OH 3.01Å; Y730-H732 PolarHBondContact O-N 2.83Å; Y730-L733 PolarHBondContact N-O 3.46Å; Y730-L733 PolarHBondContact O-N 2.89Å; Y730-V735 HydrophobicContact CD2-CB 4.15Å; Y730-V735 HydrophobicContact CD2-CG2 3.61Å; Y730-V735 HydrophobicContact CE2-CB 4.1Å; Y730-V735 HydrophobicContact CE2-CG2 3.94Å |
| 731 | G | 91.9 | Very high | 88.5 | Confident | 47 Ų | 47 | 55.9 Ų | 55.9 | 49% | 0.485 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.4 | -112.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 732 | H | 92.9 | Very high | 86.5 | Confident | 99 Ų | 99 | 60.4 Ų | 60.4 | 46% | 0.458 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -5.7 | 177.1 | -61.6 | -14.1 | 0 | 0 | 0 | 113.6 | Y730 H755 K756 K757 | Y730-H732 PolarHBondContact O-N 2.83Å; H732-H755 WeakPolarHBondContact CB-NE2 3.41Å; H732-H755 PolarHBondContact O-CD2 3.5Å; H732-K756 WeakPolarHBondContact O-CB 3.45Å; H732-K756 WeakPolarHBondContact O-CG 3.45Å; H732-K756 PolarHBondContact O-N 2.83Å; H732-K757 PolarHBondContact CD2-NZ 3.49Å; H732-K757 PolarHBondContact CE1-NZ 2.75Å; H732-K757 PolarHBondContact NE2-NZ 3.17Å |
| 733 | L | 96.1 | Very high | 84.9 | Confident | 8 Ų | 8 | 63.7 Ų | 63.7 | 4% | 0.042 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 149.1 | 177.2 | -63.5 | 167.8 | 0 | 0 | 0 | 110.8 | W692 W696 D729 Y730 L753 R754 H755 | W692-L733 VanDerWaalsContact C-CD1 3.41Å; W692-L733 HydrophobicContact CB-CD1 3.97Å; W692-L733 VanDerWaalsContact O-CD1 3.23Å; W692-L733 WeakPolarHBondContact O-CD1 3.21Å; W696-L733 HydrophobicContact CB-CD1 3.8Å; W696-L733 HydrophobicContact CB-CD2 3.97Å; W696-L733 HydrophobicContact CD2-CD2 3.57Å; W696-L733 HydrophobicContact CE3-CD2 3.52Å; W696-L733 HydrophobicContact CG-CD1 4.42Å; W696-L733 HydrophobicContact CG-CD2 3.76Å; W696-L733 HydrophobicContact CZ3-CD2 4.29Å; D729-L733 WeakPolarHBondContact CA-O 3.44Å; Y730-L733 PolarHBondContact N-O 3.46Å; Y730-L733 PolarHBondContact O-N 2.89Å; L733-L753 HydrophobicContact CB-CD1 3.97Å; L733-L753 HydrophobicContact CD1-CD1 4.31Å; L733-L753 HydrophobicContact CD2-CD1 4.24Å; L733-L753 HydrophobicContact CD2-CG 4.3Å; L733-L753 HydrophobicContact CG-CD1 4.4Å; L733-R754 WeakPolarHBondContact CA-O 3.4Å; L733-H755 HydrophobicContact CD2-CB 3.98Å |
| 734 | S | 96.8 | Very high | 83.6 | Confident | 6 Ų | 6 | 64.9 Ų | 64.9 | 4% | 0.042 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 118.4 | 177.2 | -159.3 | 0 | 0 | 0 | 0 | 107.7 | V727 D729 R754 | V727-S734 WeakPolarHBondContact CG1-OG 3.3Å; D729-S734 WeakPolarHBondContact OD1-CA 3.49Å; D729-S734 WeakPolarHBondContact OD1-CB 3.44Å; D729-S734 PolarHBondContact OD1-OG 2.95Å; S734-R754 PolarHBondContact N-O 2.81Å; S734-R754 PolarHBondContact O-N 3.39Å |
| 735 | V | 97.6 | Very high | 82.5 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 122.9 | -178.1 | 176.5 | 0 | 0 | 0 | 0 | 108.2 | W692 P722 V727 K728 Y730 F751 L753 | W692-V735 HydrophobicContact CD2-CG2 3.59Å; W692-V735 HydrophobicContact CE3-CG2 3.98Å; W692-V735 HydrophobicContact CG-CG2 3.98Å; W692-V735 HydrophobicContact CH2-CG1 4.06Å; W692-V735 HydrophobicContact CH2-CG2 4.27Å; W692-V735 HydrophobicContact CZ2-CG1 3.81Å; W692-V735 HydrophobicContact CZ2-CG2 3.92Å; W692-V735 HydrophobicContact CZ3-CG2 4.29Å; P722-V735 HydrophobicContact CG-CG1 4.2Å; V727-V735 CarbonylContact C-O 3.5Å; V727-V735 VanDerWaalsContact CA-O 3.3Å; V727-V735 WeakPolarHBondContact CA-O 3.34Å; V727-V735 WeakPolarHBondContact CG1-O 3.23Å; K728-V735 PolarHBondContact N-O 3.07Å; K728-V735 PolarHBondContact O-N 2.88Å; Y730-V735 HydrophobicContact CD2-CB 4.15Å; Y730-V735 HydrophobicContact CD2-CG2 3.61Å; Y730-V735 HydrophobicContact CE2-CB 4.1Å; Y730-V735 HydrophobicContact CE2-CG2 3.94Å; V735-F751 HydrophobicContact CG1-CB 4.48Å; V735-F751 HydrophobicContact CG1-CD1 4.17Å; V735-F751 HydrophobicContact CG1-CG 4.38Å; V735-L753 HydrophobicContact CG2-CD1 3.58Å |
| 736 | K | 95.6 | Very high | 82.2 | Confident | 80 Ų | 80 | 59.7 Ų | 59.7 | 35% | 0.348 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 133.2 | 170.4 | 177.9 | 169.4 | 178.2 | -172.2 | 0 | 110.3 | V727 H738 F751 T752 | V727-K736 HydrophobicContact CG1-CB 4.44Å; V727-K736 HydrophobicContact CG2-CB 3.96Å; V727-K736 HydrophobicContact CG2-CD 4.02Å; V727-K736 HydrophobicContact CG2-CG 3.92Å; K736-H738 WeakPolarHBondContact CE-ND1 3.32Å; K736-F751 CarbonylContact O-C 3.59Å; K736-F751 WeakPolarHBondContact O-CA 3.31Å; K736-T752 PolarHBondContact N-O 2.87Å; K736-T752 PolarHBondContact O-N 3.2Å |
| 737 | C | 91.1 | Very high | 82.2 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 124.5 | 168.3 | -166.6 | 0 | 0 | 0 | 0 | 110.4 | P722 P724 P725 E726 F751 | P722-C737 HydrophobicContact CG-CB 4.17Å; P722-C737 WeakPolarHBondContact O-CB 3.35Å; P724-C737 HydrophobicContact CB-CB 4.26Å; P725-C737 CarbonylContact C-O 3.54Å; P725-C737 WeakPolarHBondContact CA-O 3.41Å; E726-C737 PolarHBondContact O-N 3.31Å; E726-C737 VanDerWaalsContact O-N 3.15Å; C737-F751 HydrophobicContact CB-CD1 3.88Å; C737-F751 HydrophobicContact CB-CE1 3.85Å |
| 738 | H | 87 | Confident | 82 | Confident | 91 Ų | 91 | 52.6 Ų | 52.6 | 42% | 0.421 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | -42 | 179.4 | -56.9 | -82.6 | 0 | 0 | 0 | 112.7 | K736 Q750 T752 | K736-H738 WeakPolarHBondContact CE-ND1 3.32Å; H738-Q750 PolarHBondContact N-O 3.49Å; H738-T752 WeakPolarHBondContact NE2-CB 3.25Å; H738-T752 PolarHBondContact NE2-OG1 2.82Å |
| 739 | S | 78.9 | Confident | 81.8 | Confident | 31 Ų | 31 | 49 Ų | 49 | 22% | 0.217 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 152.4 | 176.7 | 69.3 | 0 | 0 | 0 | 0 | 112.2 | E741 R749 Q750 | S739-E741 PolarHBondContact OG-OE1 3.35Å; S739-R749 WeakPolarHBondContact O-CA 3.22Å; S739-Q750 PolarHBondContact O-N 3.49Å |
| 740 | E | 81.6 | Confident | 81.8 | Confident | 84 Ų | 84 | 48 Ų | 48 | 39% | 0.393 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 121.8 | 166.3 | -178.1 | 179 | 99.5 | 0 | 0 | 107.8 | P724 V747 T748 R749 | P724-E740 HydrophobicContact CG-CB 3.92Å; E740-V747 HydrophobicContact CG-CG1 3.57Å; E740-T748 WeakPolarHBondContact CA-O 3.4Å; E740-R749 HydrophobicContact CB-CG 4.18Å; E740-R749 HydrophobicContact CG-CG 4Å; E740-R749 IonicContact OE2-CZ 3.54Å; E740-R749 IonicContact OE2-NE 3.89Å; E740-R749 PolarHBondContact OE2-NE 3.1Å; E740-R749 IonicContact OE2-NH2 3.58Å; E740-R749 PolarHBondContact OE2-NH2 3.04Å |
| 741 | E | 71 | Confident | 81.9 | Confident | 118 Ų | 118 | 47.5 Ų | 47.5 | 55% | 0.551 | 25% | 0.253 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 122.1 | -174.5 | -70.7 | 168.3 | -136.7 | 0 | 0 | 109 | S739 V747 T748 | S739-E741 PolarHBondContact OG-OE1 3.35Å; E741-V747 CarbonylContact O-C 3.57Å; E741-V747 WeakPolarHBondContact O-CA 3.45Å; E741-T748 PolarHBondContact N-O 3.22Å; E741-T748 PolarHBondContact O-N 3.24Å |
| 742 | C | 53.8 | Low | 82.2 | Confident | 97 Ų | 97 | 46.1 Ų | 46.1 | 66% | 0.655 | 24% | 0.236 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 137.9 | -175.4 | 54.5 | 0 | 0 | 0 | 0 | 112.4 | V747 | C742-V747 HydrophobicContact CB-CG2 4.05Å |
| 743 | N | 56.4 | Low | 82.4 | Confident | 74 Ų | 74 | 41.4 Ų | 41.4 | 40% | 0.396 | 21% | 0.214 | S | C | . | . | trans | -117.4 | -170.2 | 160.8 | 69 | 57.5 | 0 | 0 | 0 | 109.6 | A745 Y746 | N743-A745 VanDerWaalsContact C-N 3.35Å; N743-A745 PolarHBondContact OD1-N 2.73Å; N743-Y746 PolarHBondContact N-O 3.11Å; N743-Y746 VanDerWaalsContact ND2-CD1 3.31Å; N743-Y746 WeakPolarHBondContact ND2-CD1 3.33Å; N743-Y746 WeakPolarHBondContact ND2-CE1 3.47Å; N743-Y746 PolarHBondContact ND2-O 3.44Å; N743-Y746 WeakPolarHBondContact OD1-CD1 3.39Å; N743-Y746 PolarHBondContact OD1-N 3.02Å; N743-Y746 PolarHBondContact OD1-O 3.49Å | ||
| 744 | L | 50.9 | Low | 82.4 | Confident | 111 Ų | 111 | 46.5 Ų | 46.5 | 58% | 0.581 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -69.5 | -30.8 | -177.3 | -65.8 | 174.8 | 0 | 0 | 0 | 113.3 | P240 | P240-L744 HydrophobicContact CB-CD1 4.27Å; P240-L744 HydrophobicContact CG-CD1 4.43Å |
| 745 | A | 54.6 | Low | 82.2 | Confident | 3 Ų | 3 | 47.5 Ų | 47.5 | 3% | 0.025 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -102.2 | -33.5 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | N743 Y769 V770 A771 D783 | N743-A745 VanDerWaalsContact C-N 3.35Å; N743-A745 PolarHBondContact OD1-N 2.73Å; A745-Y769 HydrophobicContact CB-CE2 3.97Å; A745-Y769 WeakPolarHBondContact O-CD2 3.12Å; A745-V770 WeakPolarHBondContact O-CG2 3.34Å; A745-V770 PolarHBondContact O-N 2.9Å; A745-A771 HydrophobicContact CB-CB 4.24Å; A745-A771 PolarHBondContact O-N 3.4Å; A745-A771 VanDerWaalsContact O-N 3.16Å; A745-D783 HydrophobicContact CB-CB 3.83Å |
| 746 | Y | 74.1 | Confident | 81.9 | Confident | 37 Ų | 37 | 52.7 Ų | 52.7 | 15% | 0.145 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 160.6 | -177.8 | 62.6 | -80.9 | 0 | 0 | 0 | 115.1 | N743 L767 Q768 F787 S790 | N743-Y746 PolarHBondContact N-O 3.11Å; N743-Y746 VanDerWaalsContact ND2-CD1 3.31Å; N743-Y746 WeakPolarHBondContact ND2-CD1 3.33Å; N743-Y746 WeakPolarHBondContact ND2-CE1 3.47Å; N743-Y746 PolarHBondContact ND2-O 3.44Å; N743-Y746 WeakPolarHBondContact OD1-CD1 3.39Å; N743-Y746 PolarHBondContact OD1-N 3.02Å; N743-Y746 PolarHBondContact OD1-O 3.49Å; Y746-L767 HydrophobicContact CD2-CD2 4.44Å; Y746-L767 HydrophobicContact CE2-CD2 4.46Å; Y746-Q768 CarbonylContact C-O 3.54Å; Y746-Q768 WeakPolarHBondContact CA-O 3.14Å; Y746-Q768 WeakPolarHBondContact CB-O 3.48Å; Y746-F787 HydrophobicContact CD1-CB 4.36Å; Y746-F787 AromaticContact CD1-CD2 3.64Å; Y746-F787 HydrophobicContact CD1-CD2 3.64Å; Y746-F787 HydrophobicContact CD1-CE2 4.47Å; Y746-F787 HydrophobicContact CD1-CG 4.49Å; Y746-F787 AromaticContact CD2-CD2 3.89Å; Y746-F787 HydrophobicContact CD2-CD2 3.89Å; Y746-F787 HydrophobicContact CD2-CE2 4.04Å; Y746-F787 HydrophobicContact CE1-CD2 4.2Å; Y746-F787 HydrophobicContact CE2-CD2 4.41Å; Y746-F787 AromaticContact CG-CD2 3.47Å; Y746-F787 HydrophobicContact CG-CD2 3.47Å; Y746-F787 VanDerWaalsContact CG-CD2 3.47Å; Y746-F787 AromaticContact CG-CE2 3.86Å; Y746-F787 HydrophobicContact CG-CE2 3.86Å; Y746-S790 PolarHBondContact OH-OG 3.19Å |
| 747 | V | 78.8 | Confident | 81.5 | Confident | 16 Ų | 16 | 55.8 Ų | 55.8 | 10% | 0.097 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 131.3 | 173 | -173.7 | 0 | 0 | 0 | 0 | 109.5 | E740 E741 C742 Q768 V770 | E740-V747 HydrophobicContact CG-CG1 3.57Å; E741-V747 CarbonylContact O-C 3.57Å; E741-V747 WeakPolarHBondContact O-CA 3.45Å; C742-V747 HydrophobicContact CB-CG2 4.05Å; V747-Q768 HydrophobicContact CB-CB 4.37Å; V747-Q768 PolarHBondContact N-O 3.46Å; V747-Q768 PolarHBondContact O-N 3Å; V747-V770 HydrophobicContact CG2-CG1 4.33Å |
| 748 | T | 88.3 | Confident | 81.2 | Confident | 21 Ų | 21 | 60.6 Ų | 60.6 | 13% | 0.129 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 134.8 | 173.4 | -58.6 | 0 | 0 | 0 | 0 | 109.3 | E740 E741 T765 H766 L767 | E740-T748 WeakPolarHBondContact CA-O 3.4Å; E741-T748 PolarHBondContact N-O 3.22Å; E741-T748 PolarHBondContact O-N 3.24Å; T748-T765 HydrophobicContact CG2-CG2 4.49Å; T748-H766 CarbonylContact C-O 3.59Å; T748-H766 WeakPolarHBondContact CA-O 3.43Å; T748-L767 HydrophobicContact CG2-CD2 3.85Å; T748-L767 WeakPolarHBondContact OG1-CD2 3.36Å |
| 749 | R | 90.9 | Very high | 80.8 | Confident | 14 Ų | 14 | 60.7 Ų | 60.7 | 5% | 0.053 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 147.3 | 171.5 | -64.3 | 177.6 | -176.7 | 96.2 | 12.8 | 110.4 | W721 S739 E740 F751 H766 | W721-R749 VanDerWaalsContact CE2-CZ 3.47Å; W721-R749 VanDerWaalsContact CZ2-CZ 3.49Å; W721-R749 VanDerWaalsContact CZ2-NH1 3.25Å; S739-R749 WeakPolarHBondContact O-CA 3.22Å; E740-R749 HydrophobicContact CB-CG 4.18Å; E740-R749 HydrophobicContact CG-CG 4Å; E740-R749 IonicContact OE2-CZ 3.54Å; E740-R749 IonicContact OE2-NE 3.89Å; E740-R749 PolarHBondContact OE2-NE 3.1Å; E740-R749 IonicContact OE2-NH2 3.58Å; E740-R749 PolarHBondContact OE2-NH2 3.04Å; R749-F751 HydrophobicContact CB-CE1 4.1Å; R749-F751 HydrophobicContact CB-CE2 4.24Å; R749-F751 HydrophobicContact CB-CZ 3.83Å; R749-F751 HydrophobicContact CG-CZ 4.4Å; R749-H766 HydrophobicContact CB-CB 4.22Å; R749-H766 PolarHBondContact N-O 2.71Å; R749-H766 PolarHBondContact NH1-CE1 3.3Å; R749-H766 VanDerWaalsContact NH1-CE1 3.27Å; R749-H766 PolarHBondContact O-N 3.48Å |
| 750 | Q | 95.5 | Very high | 81.4 | Confident | 60 Ų | 60 | 64.4 Ų | 64.4 | 28% | 0.28 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 118.5 | 171.2 | -66.2 | -60.4 | -18.2 | 0 | 0 | 110.2 | H738 S739 T765 | H738-Q750 PolarHBondContact N-O 3.49Å; S739-Q750 PolarHBondContact O-N 3.49Å; Q750-T765 PolarHBondContact NE2-OG1 2.94Å; Q750-T765 PolarHBondContact OE1-OG1 3.09Å |
| 751 | F | 97 | Very high | 82 | Confident | 1 Ų | 1 | 65.8 Ų | 65.8 | 0% | 0.004 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 149.2 | 178.1 | -54.4 | -58.6 | 0 | 0 | 0 | 111.5 | W692 W721 V735 K736 C737 R749 S763 V764 H766 | W692-F751 AromaticContact CH2-CD2 3.72Å; W692-F751 HydrophobicContact CH2-CD2 3.72Å; W692-F751 AromaticContact CH2-CE2 3.97Å; W692-F751 HydrophobicContact CH2-CE2 3.97Å; W692-F751 HydrophobicContact CH2-CG 4.28Å; W692-F751 HydrophobicContact CZ2-CE2 4.41Å; W721-F751 HydrophobicContact CB-CE1 3.68Å; W721-F751 HydrophobicContact CB-CE2 4.43Å; W721-F751 HydrophobicContact CB-CZ 3.45Å; W721-F751 VanDerWaalsContact CB-CZ 3.45Å; W721-F751 HydrophobicContact CG-CE1 4.26Å; W721-F751 AromaticContact CG-CZ 3.86Å; W721-F751 HydrophobicContact CG-CZ 3.86Å; V735-F751 HydrophobicContact CG1-CB 4.48Å; V735-F751 HydrophobicContact CG1-CD1 4.17Å; V735-F751 HydrophobicContact CG1-CG 4.38Å; K736-F751 CarbonylContact O-C 3.59Å; K736-F751 WeakPolarHBondContact O-CA 3.31Å; C737-F751 HydrophobicContact CB-CD1 3.88Å; C737-F751 HydrophobicContact CB-CE1 3.85Å; R749-F751 HydrophobicContact CB-CE1 4.1Å; R749-F751 HydrophobicContact CB-CE2 4.24Å; R749-F751 HydrophobicContact CB-CZ 3.83Å; R749-F751 HydrophobicContact CG-CZ 4.4Å; F751-S763 CarbonylContact O-C 3.43Å; F751-S763 WeakPolarHBondContact O-CA 3.1Å; F751-V764 HydrophobicContact CB-CB 4.33Å; F751-V764 PolarHBondContact N-O 3.03Å; F751-V764 PolarHBondContact O-N 3.17Å; F751-H766 HydrophobicContact CD2-CB 3.9Å; F751-H766 HydrophobicContact CE2-CB 3.35Å; F751-H766 AromaticContact CE2-CG 3.75Å; F751-H766 HydrophobicContact CZ-CB 4.23Å |
| 752 | T | 97 | Very high | 83.1 | Confident | 18 Ų | 18 | 61.4 Ų | 61.4 | 11% | 0.11 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 130.4 | 152.8 | -67.6 | 0 | 0 | 0 | 0 | 108.2 | K736 H738 E761 | K736-T752 PolarHBondContact N-O 2.87Å; K736-T752 PolarHBondContact O-N 3.2Å; H738-T752 WeakPolarHBondContact NE2-CB 3.25Å; H738-T752 PolarHBondContact NE2-OG1 2.82Å; T752-E761 HydrophobicContact CG2-CB 3.85Å; T752-E761 HydrophobicContact CG2-CG 4.1Å |
| 753 | L | 96.9 | Very high | 85.1 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 119.4 | 172.1 | -176.8 | 66.5 | 0 | 0 | 0 | 108.1 | W692 V695 W696 L733 V735 E761 F762 V764 | W692-L753 HydrophobicContact CD2-CD1 4.31Å; W692-L753 HydrophobicContact CE3-CD1 3.74Å; W692-L753 HydrophobicContact CE3-CD2 4.04Å; W692-L753 HydrophobicContact CE3-CG 4.47Å; W692-L753 HydrophobicContact CZ3-CD1 4.29Å; W692-L753 HydrophobicContact CZ3-CD2 4.43Å; V695-L753 HydrophobicContact CB-CD2 4.4Å; V695-L753 HydrophobicContact CG1-CD2 3.74Å; W696-L753 HydrophobicContact CB-CD2 4.22Å; W696-L753 HydrophobicContact CE3-CD2 3.83Å; W696-L753 HydrophobicContact CE3-CG 3.86Å; W696-L753 HydrophobicContact CZ3-CG 4.36Å; L733-L753 HydrophobicContact CB-CD1 3.97Å; L733-L753 HydrophobicContact CD1-CD1 4.31Å; L733-L753 HydrophobicContact CD2-CD1 4.24Å; L733-L753 HydrophobicContact CD2-CG 4.3Å; L733-L753 HydrophobicContact CG-CD1 4.4Å; V735-L753 HydrophobicContact CG2-CD1 3.58Å; L753-E761 CarbonylContact O-C 3.56Å; L753-E761 WeakPolarHBondContact O-CA 3.46Å; L753-E761 WeakPolarHBondContact O-CB 3.38Å; L753-F762 HydrophobicContact CD2-CE1 4.31Å; L753-F762 HydrophobicContact CD2-CE2 4.28Å; L753-F762 HydrophobicContact CD2-CZ 3.88Å; L753-F762 PolarHBondContact N-O 2.81Å; L753-F762 PolarHBondContact O-N 2.88Å; L753-V764 HydrophobicContact CB-CG2 4.24Å |
| 754 | R | 95.7 | Very high | 87 | Confident | 115 Ų | 115 | 57 Ų | 57 | 43% | 0.434 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 132.5 | -176.1 | 177.6 | 179 | 64.6 | 173.1 | -0.1 | 111.3 | L733 S734 E761 | L733-R754 WeakPolarHBondContact CA-O 3.4Å; S734-R754 PolarHBondContact N-O 2.81Å; S734-R754 PolarHBondContact O-N 3.39Å; R754-E761 HydrophobicContact CB-CB 3.67Å; R754-E761 WeakPolarHBondContact CD-OE2 3.31Å; R754-E761 HydrophobicContact CG-CB 3.94Å |
| 755 | H | 94.3 | Very high | 89.2 | Confident | 27 Ų | 27 | 52.7 Ų | 52.7 | 13% | 0.125 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 112.8 | 176.9 | -174.4 | -110.1 | 0 | 0 | 0 | 111.9 | W696 H732 L733 K757 L758 A759 E760 | W696-H755 HydrophobicContact CD2-CB 4.31Å; W696-H755 HydrophobicContact CE3-CB 4.37Å; W696-H755 HydrophobicContact CH2-CB 3.54Å; W696-H755 HydrophobicContact CZ2-CB 3.44Å; W696-H755 VanDerWaalsContact CZ2-CB 3.44Å; W696-H755 HydrophobicContact CZ3-CB 4.02Å; H732-H755 WeakPolarHBondContact CB-NE2 3.41Å; H732-H755 PolarHBondContact O-CD2 3.5Å; L733-H755 HydrophobicContact CD2-CB 3.98Å; H755-K757 PolarHBondContact O-N 2.85Å; H755-L758 WeakPolarHBondContact ND1-CB 3.33Å; H755-L758 VanDerWaalsContact ND1-CD1 3.34Å; H755-L758 WeakPolarHBondContact ND1-CD1 3.31Å; H755-L758 WeakPolarHBondContact ND1-CG 3.43Å; H755-L758 PolarHBondContact ND1-N 3.1Å; H755-L758 PolarHBondContact O-N 2.91Å; H755-L758 VanDerWaalsContact O-N 3.16Å; H755-A759 PolarHBondContact O-N 2.82Å; H755-E760 PolarHBondContact N-O 3.07Å |
| 756 | K | 89.9 | Confident | 91.3 | Very high | 108 Ų | 108 | 52.6 Ų | 52.6 | 47% | 0.47 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -24.6 | -170.1 | -69.1 | 178.2 | 172.1 | -173 | 0 | 115.1 | D729 H732 | D729-K756 WeakPolarHBondContact OD1-CE 3.3Å; D729-K756 IonicContact OD1-NZ 3.49Å; D729-K756 PolarHBondContact OD1-NZ 2.84Å; D729-K756 VanDerWaalsContact OD2-CE 3.25Å; D729-K756 WeakPolarHBondContact OD2-CE 3.33Å; D729-K756 IonicContact OD2-NZ 2.68Å; D729-K756 PolarHBondContact OD2-NZ 2.99Å; H732-K756 WeakPolarHBondContact O-CB 3.45Å; H732-K756 WeakPolarHBondContact O-CG 3.45Å; H732-K756 PolarHBondContact O-N 2.83Å |
| 757 | K | 88.3 | Confident | 92.3 | Very high | 146 Ų | 146 | 50.8 Ų | 50.8 | 64% | 0.635 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.8 | -18.1 | -176.8 | -64.8 | 176.7 | 170.2 | 178.4 | 0 | 114.7 | H732 H755 | H732-K757 PolarHBondContact CD2-NZ 3.49Å; H732-K757 PolarHBondContact CE1-NZ 2.75Å; H732-K757 PolarHBondContact NE2-NZ 3.17Å; H755-K757 PolarHBondContact O-N 2.85Å |
| 758 | L | 84.8 | Confident | 93 | Very high | 101 Ų | 101 | 50.6 Ų | 50.6 | 53% | 0.529 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.7 | -10.3 | -175.8 | -69 | 170.9 | 0 | 0 | 0 | 113.1 | H755 E760 | H755-L758 WeakPolarHBondContact ND1-CB 3.33Å; H755-L758 VanDerWaalsContact ND1-CD1 3.34Å; H755-L758 WeakPolarHBondContact ND1-CD1 3.31Å; H755-L758 WeakPolarHBondContact ND1-CG 3.43Å; H755-L758 PolarHBondContact ND1-N 3.1Å; H755-L758 PolarHBondContact O-N 2.91Å; H755-L758 VanDerWaalsContact O-N 3.16Å; L758-E760 HydrophobicContact CB-CB 4.38Å; L758-E760 HydrophobicContact CB-CG 4.15Å; L758-E760 WeakPolarHBondContact CD1-OE2 3.32Å; L758-E760 PolarHBondContact O-N 3.27Å |
| 759 | A | 78.1 | Confident | 92.9 | Very high | 93 Ų | 93 | 49.7 Ų | 49.7 | 77% | 0.769 | 25% | 0.252 | S | S | * | . | trans | 60.9 | -0.2 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | H755 | H755-A759 PolarHBondContact O-N 2.82Š| ||
| 760 | E | 91.5 | Very high | 92.3 | Very high | 108 Ų | 108 | 51.3 Ų | 51.3 | 51% | 0.505 | 26% | 0.264 | S | S | . | . | trans | -70.5 | 142.4 | 170.4 | -64.6 | 169.8 | 158.8 | 0 | 0 | 111.7 | W696 H755 L758 | W696-E760 HydrophobicContact CH2-CB 3.7Å; W696-E760 WeakPolarHBondContact CH2-O 3.29Å; W696-E760 HydrophobicContact CZ2-CB 4.01Å; H755-E760 PolarHBondContact N-O 3.07Å; L758-E760 HydrophobicContact CB-CB 4.38Å; L758-E760 HydrophobicContact CB-CG 4.15Å; L758-E760 WeakPolarHBondContact CD1-OE2 3.32Å; L758-E760 PolarHBondContact O-N 3.27Å | ||
| 761 | E | 93.9 | Very high | 91.1 | Very high | 114 Ų | 114 | 50.1 Ų | 50.1 | 53% | 0.533 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 151.3 | 168.7 | 63.9 | 176.8 | -136.5 | 0 | 0 | 111.9 | T752 L753 R754 | T752-E761 HydrophobicContact CG2-CB 3.85Å; T752-E761 HydrophobicContact CG2-CG 4.1Å; L753-E761 CarbonylContact O-C 3.56Å; L753-E761 WeakPolarHBondContact O-CA 3.46Å; L753-E761 WeakPolarHBondContact O-CB 3.38Å; R754-E761 HydrophobicContact CB-CB 3.67Å; R754-E761 WeakPolarHBondContact CD-OE2 3.31Å; R754-E761 HydrophobicContact CG-CB 3.94Å |
| 762 | F | 94.6 | Very high | 89.9 | Confident | 25 Ų | 25 | 50.6 Ų | 50.6 | 11% | 0.11 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 155 | 172.5 | 65.6 | -98.8 | 0 | 0 | 0 | 113.1 | W696 H701 L753 V764 | W696-F762 AromaticContact CD2-CE1 3.96Å; W696-F762 HydrophobicContact CD2-CE1 3.96Å; W696-F762 AromaticContact CE3-CD1 3.9Å; W696-F762 HydrophobicContact CE3-CD1 3.9Å; W696-F762 AromaticContact CE3-CE1 3.32Å; W696-F762 HydrophobicContact CE3-CE1 3.32Å; W696-F762 HydrophobicContact CE3-CZ 4.15Å; W696-F762 HydrophobicContact CH2-CD1 4.15Å; W696-F762 HydrophobicContact CH2-CE1 4.26Å; W696-F762 AromaticContact CZ3-CD1 3.56Å; W696-F762 HydrophobicContact CZ3-CD1 3.56Å; W696-F762 AromaticContact CZ3-CE1 3.52Å; W696-F762 HydrophobicContact CZ3-CE1 3.52Å; H701-F762 AromaticContact CE1-CD2 3.49Å; H701-F762 VanDerWaalsContact CE1-CD2 3.49Å; H701-F762 WeakPolarHBondContact CE1-CD2 3.25Å; H701-F762 AromaticContact CE1-CG 3.79Å; H701-F762 AromaticContact ND1-CD2 3.45Å; H701-F762 WeakPolarHBondContact ND1-CD2 3.45Å; L753-F762 HydrophobicContact CD2-CE1 4.31Å; L753-F762 HydrophobicContact CD2-CE2 4.28Å; L753-F762 HydrophobicContact CD2-CZ 3.88Å; L753-F762 PolarHBondContact N-O 2.81Å; L753-F762 PolarHBondContact O-N 2.88Å; F762-V764 HydrophobicContact CD2-CG2 3.7Å; F762-V764 HydrophobicContact CE2-CG2 3.47Å; F762-V764 VanDerWaalsContact CE2-CG2 3.47Å |
| 763 | S | 95.7 | Very high | 87.9 | Confident | 78 Ų | 78 | 52.3 Ų | 52.3 | 55% | 0.545 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 137.7 | 176.8 | -56 | 0 | 0 | 0 | 0 | 111.4 | H701 F751 | H701-S763 PolarHBondContact ND1-O 3.3Å; H701-S763 VanDerWaalsContact ND1-O 3.17Å; F751-S763 CarbonylContact O-C 3.43Å; F751-S763 WeakPolarHBondContact O-CA 3.1Å |
| 764 | V | 97.3 | Very high | 85.3 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 119.2 | 175.2 | -179.7 | 0 | 0 | 0 | 0 | 109.3 | V695 H701 I703 F751 L753 F762 | V695-V764 HydrophobicContact CG1-CG2 4.13Å; H701-V764 WeakPolarHBondContact O-CA 3.38Å; I703-V764 HydrophobicContact CD1-CG1 3.63Å; I703-V764 HydrophobicContact CG1-CG1 3.81Å; F751-V764 HydrophobicContact CB-CB 4.33Å; F751-V764 PolarHBondContact N-O 3.03Å; F751-V764 PolarHBondContact O-N 3.17Å; L753-V764 HydrophobicContact CB-CG2 4.24Å; F762-V764 HydrophobicContact CD2-CG2 3.7Å; F762-V764 HydrophobicContact CE2-CG2 3.47Å; F762-V764 VanDerWaalsContact CE2-CG2 3.47Å |
| 765 | T | 96.7 | Very high | 82.7 | Confident | 22 Ų | 22 | 55.9 Ų | 55.9 | 14% | 0.135 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 136.2 | 168.8 | -66.3 | 0 | 0 | 0 | 0 | 109.7 | H701 T702 I703 T748 Q750 L767 | H701-T765 PolarHBondContact O-N 3.29Å; T702-T765 CarbonylContact C-O 3.6Å; T702-T765 VanDerWaalsContact CA-O 3.29Å; T702-T765 WeakPolarHBondContact CA-O 3.36Å; I703-T765 PolarHBondContact N-O 2.81Å; T748-T765 HydrophobicContact CG2-CG2 4.49Å; Q750-T765 PolarHBondContact NE2-OG1 2.94Å; Q750-T765 PolarHBondContact OE1-OG1 3.09Å; T765-L767 HydrophobicContact CG2-CD2 4.19Å; T765-L767 HydrophobicContact CG2-CG 4.21Å |
| 766 | H | 97.4 | Very high | 80.9 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 120.4 | 177.6 | 168.1 | -73.4 | 0 | 0 | 0 | 110.9 | I703 Y720 T748 R749 F751 | I703-H766 HydrophobicContact CB-CB 4.37Å; I703-H766 CarbonylContact O-C 3.55Å; I703-H766 WeakPolarHBondContact O-CA 3.35Å; Y720-H766 AromaticContact CZ-NE2 3.8Å; Y720-H766 PolarHBondContact OH-CD2 2.63Å; Y720-H766 VanDerWaalsContact OH-CD2 3.3Å; Y720-H766 PolarHBondContact OH-NE2 2.78Å; Y720-H766 VanDerWaalsContact OH-NE2 3.12Å; T748-H766 CarbonylContact C-O 3.59Å; T748-H766 WeakPolarHBondContact CA-O 3.43Å; R749-H766 HydrophobicContact CB-CB 4.22Å; R749-H766 PolarHBondContact N-O 2.71Å; R749-H766 PolarHBondContact NH1-CE1 3.3Å; R749-H766 VanDerWaalsContact NH1-CE1 3.27Å; R749-H766 PolarHBondContact O-N 3.48Å; F751-H766 HydrophobicContact CD2-CB 3.9Å; F751-H766 HydrophobicContact CE2-CB 3.35Å; F751-H766 AromaticContact CE2-CG 3.75Å; F751-H766 HydrophobicContact CZ-CB 4.23Å |
| 767 | L | 95.8 | Very high | 80 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 112.2 | -177.6 | -62.3 | 179.5 | 0 | 0 | 0 | 109.9 | I703 I704 M705 Y746 T748 T765 F787 V791 | I703-L767 PolarHBondContact O-N 3.43Å; I704-L767 WeakPolarHBondContact CA-O 3.25Å; I704-L767 HydrophobicContact CD1-CB 3.92Å; I704-L767 HydrophobicContact CD1-CD1 3.85Å; I704-L767 HydrophobicContact CD1-CG 4.25Å; M705-L767 PolarHBondContact N-O 3.07Å; Y746-L767 HydrophobicContact CD2-CD2 4.44Å; Y746-L767 HydrophobicContact CE2-CD2 4.46Å; T748-L767 HydrophobicContact CG2-CD2 3.85Å; T748-L767 WeakPolarHBondContact OG1-CD2 3.36Å; T765-L767 HydrophobicContact CG2-CD2 4.19Å; T765-L767 HydrophobicContact CG2-CG 4.21Å; L767-F787 HydrophobicContact CB-CE2 3.8Å; L767-F787 HydrophobicContact CB-CZ 3.9Å; L767-V791 HydrophobicContact CD1-CG2 4.14Å |
| 768 | Q | 93.1 | Very high | 79.1 | Confident | 11 Ų | 11 | 45.8 Ų | 45.8 | 5% | 0.051 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 105.2 | 178.6 | -177.5 | 176.4 | 11.5 | 0 | 0 | 111.3 | M705 T707 Y746 V747 V770 | M705-Q768 HydrophobicContact CB-CB 4.11Å; M705-Q768 HydrophobicContact CB-CG 4.1Å; M705-Q768 HydrophobicContact CG-CB 4.38Å; M705-Q768 HydrophobicContact CG-CG 3.84Å; M705-Q768 CarbonylContact O-C 3.59Å; M705-Q768 VanDerWaalsContact O-CA 3.25Å; M705-Q768 WeakPolarHBondContact O-CA 3.48Å; M705-Q768 HydrophobicContact SD-CB 4.42Å; M705-Q768 HydrophobicContact SD-CG 3.85Å; T707-Q768 PolarHBondContact O-NE2 3.34Å; Y746-Q768 CarbonylContact C-O 3.54Å; Y746-Q768 WeakPolarHBondContact CA-O 3.14Å; Y746-Q768 WeakPolarHBondContact CB-O 3.48Å; V747-Q768 HydrophobicContact CB-CB 4.37Å; V747-Q768 PolarHBondContact N-O 3.46Å; V747-Q768 PolarHBondContact O-N 3Å; Q768-V770 HydrophobicContact CG-CG1 3.89Å; Q768-V770 PolarHBondContact O-N 3.36Å |
| 769 | Y | 86.8 | Confident | 77.6 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.008 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 120.8 | 170.1 | -166 | -99.2 | 0 | 0 | 0 | 109.9 | M705 A745 A771 W772 F784 F787 | M705-Y769 PolarHBondContact O-N 3.03Å; A745-Y769 HydrophobicContact CB-CE2 3.97Å; A745-Y769 WeakPolarHBondContact O-CD2 3.12Å; Y769-A771 HydrophobicContact CE1-CB 4.37Å; Y769-A771 VanDerWaalsContact CE1-O 3.28Å; Y769-A771 WeakPolarHBondContact CE1-O 3.47Å; Y769-A771 PolarHBondContact OH-O 2.95Å; Y769-W772 HydrophobicContact CD1-CB 3.94Å; Y769-W772 HydrophobicContact CD1-CE3 4.01Å; Y769-W772 HydrophobicContact CE1-CB 3.96Å; Y769-W772 HydrophobicContact CE1-CE3 4.23Å; Y769-F784 PolarHBondContact OH-N 2.94Å; Y769-F787 HydrophobicContact CD2-CB 3.62Å; Y769-F787 AromaticContact CD2-CD1 3.9Å; Y769-F787 HydrophobicContact CD2-CD1 3.9Å; Y769-F787 AromaticContact CD2-CD2 3.72Å; Y769-F787 HydrophobicContact CD2-CD2 3.72Å; Y769-F787 HydrophobicContact CD2-CE1 4.49Å; Y769-F787 HydrophobicContact CD2-CE2 4.3Å; Y769-F787 AromaticContact CD2-CG 3.46Å; Y769-F787 HydrophobicContact CD2-CG 3.46Å; Y769-F787 VanDerWaalsContact CD2-CG 3.46Å; Y769-F787 HydrophobicContact CE2-CB 3.81Å; Y769-F787 HydrophobicContact CE2-CG 4.17Å; Y769-F787 HydrophobicContact CG-CD1 4.3Å; Y769-F787 HydrophobicContact CG-CD2 4.46Å; Y769-F787 HydrophobicContact CG-CG 4.26Å |
| 770 | V | 77.3 | Confident | 77.3 | Confident | 48 Ų | 48 | 47.7 Ų | 47.7 | 29% | 0.291 | 27% | 0.266 | S | S | . | . | trans | -110.3 | -24.3 | -176 | -64 | 0 | 0 | 0 | 0 | 113.1 | T708 A745 V747 Q768 W772 | T708-V770 HydrophobicContact CG2-CB 4.34Å; T708-V770 HydrophobicContact CG2-CG1 4.34Å; A745-V770 WeakPolarHBondContact O-CG2 3.34Å; A745-V770 PolarHBondContact O-N 2.9Å; V747-V770 HydrophobicContact CG2-CG1 4.33Å; Q768-V770 HydrophobicContact CG-CG1 3.89Å; Q768-V770 PolarHBondContact O-N 3.36Å; V770-W772 PolarHBondContact O-N 3.36Å | ||
| 771 | A | 70.4 | Confident | 76.9 | Confident | 36 Ų | 36 | 43.4 Ų | 43.4 | 30% | 0.298 | 25% | 0.247 | S | C | . | . | trans | -82 | 39.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | A745 Y769 | A745-A771 HydrophobicContact CB-CB 4.24Å; A745-A771 PolarHBondContact O-N 3.4Å; A745-A771 VanDerWaalsContact O-N 3.16Å; Y769-A771 HydrophobicContact CE1-CB 4.37Å; Y769-A771 VanDerWaalsContact CE1-O 3.28Å; Y769-A771 WeakPolarHBondContact CE1-O 3.47Å; Y769-A771 PolarHBondContact OH-O 2.95Å | ||
| 772 | W | 72.6 | Confident | 76.5 | Confident | 11 Ų | 11 | 39.3 Ų | 39.3 | 4% | 0.042 | 23% | 0.231 | C | C | . | . | trans | -98 | 113.9 | 167.4 | -155.4 | -50 | 0 | 0 | 0 | 108.6 | L706 Y769 V770 D774 G776 F784 R811 V814 | L706-W772 HydrophobicContact CB-CE3 4.48Å; L706-W772 HydrophobicContact CD1-CZ3 4.38Å; L706-W772 HydrophobicContact CD2-CZ3 4.48Å; Y769-W772 HydrophobicContact CD1-CB 3.94Å; Y769-W772 HydrophobicContact CD1-CE3 4.01Å; Y769-W772 HydrophobicContact CE1-CB 3.96Å; Y769-W772 HydrophobicContact CE1-CE3 4.23Å; V770-W772 PolarHBondContact O-N 3.36Å; W772-D774 PolarHBondContact O-N 2.9Å; W772-G776 PolarHBondContact NE1-O 3.22Å; W772-F784 HydrophobicContact CH2-CE2 4.04Å; W772-F784 HydrophobicContact CZ3-CD2 4.22Å; W772-F784 AromaticContact CZ3-CE2 3.84Å; W772-F784 HydrophobicContact CZ3-CE2 3.84Å; W772-R811 HydrophobicContact CD2-CB 4.18Å; W772-R811 HydrophobicContact CD2-CG 3.71Å; W772-R811 HydrophobicContact CE3-CB 3.94Å; W772-R811 HydrophobicContact CE3-CG 4.01Å; W772-R811 VanDerWaalsContact CG-CD 3.49Å; W772-R811 HydrophobicContact CG-CG 4.27Å; W772-R811 HydrophobicContact CH2-CB 3.83Å; W772-R811 HydrophobicContact CH2-CG 4.11Å; W772-R811 HydrophobicContact CZ2-CB 4.05Å; W772-R811 HydrophobicContact CZ2-CG 3.79Å; W772-R811 HydrophobicContact CZ3-CB 3.76Å; W772-R811 HydrophobicContact CZ3-CG 4.19Å; W772-V814 HydrophobicContact CH2-CB 3.83Å; W772-V814 HydrophobicContact CH2-CG1 3.65Å; W772-V814 HydrophobicContact CZ2-CB 4.32Å; W772-V814 HydrophobicContact CZ2-CG1 4.13Å | ||
| 773 | P | 54.8 | Low | 75.9 | Confident | 53 Ų | 53 | 41.6 Ų | 41.6 | 34% | 0.344 | 24% | 0.244 | S | C | . | . | trans | -62.4 | 131.3 | -177.4 | 22.3 | -30.9 | 0 | 0 | 0 | 111.5 | H775 G776 V777 | P773-H775 PolarHBondContact O-N 3.35Å; P773-G776 PolarHBondContact O-N 2.92Å; P773-V777 VanDerWaalsContact CG-C 3.43Å; P773-V777 WeakPolarHBondContact CG-O 3.34Å | ||
| 774 | D | 43.6 | Very low | 75.4 | Confident | 38 Ų | 38 | 37.9 Ų | 37.9 | 20% | 0.203 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | 110 | 179.6 | -178.6 | 42.8 | 0 | 0 | 0 | 109.7 | E711 R712 K716 W772 | E711-D774 HydrophobicContact CB-CB 4.32Å; E711-D774 HydrophobicContact CG-CB 4.44Å; R712-D774 WeakPolarHBondContact CD-OD2 3.34Å; R712-D774 WeakPolarHBondContact CG-OD2 3.45Å; R712-D774 IonicContact NE-OD2 3.39Å; R712-D774 PolarHBondContact NE-OD2 3.04Å; R712-D774 VanDerWaalsContact NE-OD2 3.11Å; R712-D774 PolarHBondContact NH2-O 3.09Å; K716-D774 IonicContact NZ-OD1 3.72Å; K716-D774 PolarHBondContact NZ-OD1 2.87Å; W772-D774 PolarHBondContact O-N 2.9Å |
| 775 | H | 40.8 | Very low | 75.1 | Confident | 152 Ų | 152 | 38.9 Ų | 38.9 | 70% | 0.704 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 87.4 | 18.2 | -167.1 | -60.8 | -114.8 | 0 | 0 | 0 | 116.9 | R712 P773 | R712-H775 PolarHBondContact NE-CD2 3.08Å; R712-H775 VanDerWaalsContact NE-CD2 3.32Å; P773-H775 PolarHBondContact O-N 3.35Å |
| 776 | G | 55.2 | Low | 74.7 | Confident | 30 Ų | 30 | 42.8 Ų | 42.8 | 31% | 0.309 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -145.6 | -157.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | W772 P773 | W772-G776 PolarHBondContact NE1-O 3.22Å; P773-G776 PolarHBondContact O-N 2.92Å |
| 777 | V | 71 | Confident | 74.3 | Confident | 28 Ų | 28 | 42.8 Ų | 42.8 | 17% | 0.17 | 24% | 0.243 | C | C | . | . | trans | -124.6 | 154.6 | 166.7 | -68.9 | 0 | 0 | 0 | 0 | 107.1 | P773 D779 Q853 F856 | P773-V777 VanDerWaalsContact CG-C 3.43Å; P773-V777 WeakPolarHBondContact CG-O 3.34Å; V777-D779 PolarHBondContact O-N 3.16Å; V777-Q853 HydrophobicContact CG1-CG 4.08Å; V777-F856 HydrophobicContact CB-CB 3.85Å; V777-F856 HydrophobicContact CB-CD1 4.24Å; V777-F856 HydrophobicContact CB-CD2 3.8Å; V777-F856 HydrophobicContact CB-CE2 4.41Å; V777-F856 HydrophobicContact CB-CG 3.7Å; V777-F856 HydrophobicContact CG1-CB 3.7Å; V777-F856 HydrophobicContact CG1-CD1 4.2Å; V777-F856 HydrophobicContact CG1-CG 3.9Å; V777-F856 HydrophobicContact CG2-CB 3.96Å; V777-F856 HydrophobicContact CG2-CD2 4.03Å; V777-F856 HydrophobicContact CG2-CG 4.15Å | ||
| 778 | P | 69.4 | Low | 74.3 | Confident | 12 Ų | 12 | 42.8 Ų | 42.8 | 8% | 0.078 | 24% | 0.243 | C | C | . | . | trans | -57 | 130.4 | 172.3 | -23.5 | 33.9 | 0 | 0 | 0 | 111.4 | D780 F856 | P778-D780 WeakPolarHBondContact CB-O 3.35Å; P778-D780 PolarHBondContact O-N 3.46Å; P778-F856 HydrophobicContact CB-CE2 4.17Å; P778-F856 HydrophobicContact CB-CZ 4.29Å; P778-F856 HydrophobicContact CG-CE2 4.34Å; P778-F856 HydrophobicContact CG-CZ 4.03Å; P778-F856 WeakPolarHBondContact O-CE2 3.3Å | ||
| 779 | D | 54.2 | Low | 74.2 | Confident | 168 Ų | 168 | 45 Ų | 45 | 90% | 0.898 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -66.4 | -24.3 | -177.9 | -49.8 | -74 | 0 | 0 | 0 | 112.9 | V777 | V777-D779 PolarHBondContact O-N 3.16Š|
| 780 | D | 70.8 | Confident | 74.4 | Confident | 66 Ų | 66 | 45.5 Ų | 45.5 | 35% | 0.353 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -125.6 | 131.9 | 165 | 175.2 | 96.2 | 0 | 0 | 0 | 109.5 | P778 S782 R863 | P778-D780 WeakPolarHBondContact CB-O 3.35Å; P778-D780 PolarHBondContact O-N 3.46Å; D780-S782 VanDerWaalsContact C-N 3.3Å; D780-S782 PolarHBondContact O-N 3.3Å; D780-S782 WeakPolarHBondContact OD2-CA 3.45Å; D780-S782 WeakPolarHBondContact OD2-CB 3.22Å; D780-S782 PolarHBondContact OD2-N 3.02Å; D780-S782 PolarHBondContact OD2-OG 3.05Å; D780-R863 IonicContact OD1-CZ 2.64Å; D780-R863 IonicContact OD1-NH1 2.88Å; D780-R863 PolarHBondContact OD1-NH1 2.88Å; D780-R863 IonicContact OD1-NH2 3.11Å; D780-R863 IonicContact OD2-NH1 3.16Å |
| 781 | P | 84.3 | Confident | 75.1 | Confident | 17 Ų | 17 | 43.2 Ų | 43.2 | 11% | 0.11 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -77 | -4.2 | -175.2 | 30.4 | -37 | 0 | 0 | 0 | 114.7 | D783 F784 L785 F856 A860 | P781-D783 PolarHBondContact O-N 2.68Å; P781-F784 CarbonylContact O-C 3.54Å; P781-F784 WeakPolarHBondContact O-CB 3.3Å; P781-F784 PolarHBondContact O-N 3.45Å; P781-F784 VanDerWaalsContact O-N 3.09Å; P781-L785 HydrophobicContact CB-CD1 4.15Å; P781-L785 HydrophobicContact CB-CG 4.32Å; P781-L785 HydrophobicContact CG-CD1 4.33Å; P781-L785 VanDerWaalsContact O-CG 3.3Å; P781-L785 WeakPolarHBondContact O-CG 3.27Å; P781-L785 PolarHBondContact O-N 3.26Å; P781-F856 HydrophobicContact CB-CE2 3.82Å; P781-F856 HydrophobicContact CB-CZ 3.99Å; P781-A860 HydrophobicContact CB-CB 4.03Å; P781-A860 HydrophobicContact CG-CB 4.5Å |
| 782 | S | 85.4 | Confident | 76.2 | Confident | 29 Ų | 29 | 45.4 Ų | 45.4 | 20% | 0.203 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -60.5 | -44.2 | -168.5 | -51.2 | 0 | 0 | 0 | 0 | 112.9 | D780 F784 L785 L786 R863 | D780-S782 VanDerWaalsContact C-N 3.3Å; D780-S782 PolarHBondContact O-N 3.3Å; D780-S782 WeakPolarHBondContact OD2-CA 3.45Å; D780-S782 WeakPolarHBondContact OD2-CB 3.22Å; D780-S782 PolarHBondContact OD2-N 3.02Å; D780-S782 PolarHBondContact OD2-OG 3.05Å; S782-F784 VanDerWaalsContact C-N 3.3Å; S782-F784 PolarHBondContact O-N 3.29Å; S782-L785 PolarHBondContact O-N 3.26Å; S782-L786 WeakPolarHBondContact O-CB 3.4Å; S782-L786 VanDerWaalsContact O-CG 3.3Å; S782-L786 WeakPolarHBondContact O-CG 3.21Å; S782-L786 PolarHBondContact O-N 3.08Å; S782-R863 PolarHBondContact OG-NH2 2.87Å |
| 783 | D | 80.9 | Confident | 77 | Confident | 73 Ų | 73 | 51.4 Ų | 51.4 | 39% | 0.39 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -66.2 | -33.3 | 177.9 | -82.7 | -11 | 0 | 0 | 0 | 112.3 | A745 P781 F787 | A745-D783 HydrophobicContact CB-CB 3.83Å; P781-D783 PolarHBondContact O-N 2.68Å; D783-F787 WeakPolarHBondContact O-CB 3.28Å; D783-F787 PolarHBondContact O-N 2.66Å |
| 784 | F | 86.6 | Confident | 78.6 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -71.4 | -36.4 | 173.9 | 171.6 | -106.5 | 0 | 0 | 0 | 112.1 | Y769 W772 P781 S782 F787 I788 V814 M818 F856 | Y769-F784 PolarHBondContact OH-N 2.94Å; W772-F784 HydrophobicContact CH2-CE2 4.04Å; W772-F784 HydrophobicContact CZ3-CD2 4.22Å; W772-F784 AromaticContact CZ3-CE2 3.84Å; W772-F784 HydrophobicContact CZ3-CE2 3.84Å; P781-F784 CarbonylContact O-C 3.54Å; P781-F784 WeakPolarHBondContact O-CB 3.3Å; P781-F784 PolarHBondContact O-N 3.45Å; P781-F784 VanDerWaalsContact O-N 3.09Å; S782-F784 VanDerWaalsContact C-N 3.3Å; S782-F784 PolarHBondContact O-N 3.29Å; F784-F787 PolarHBondContact O-N 3.18Å; F784-I788 HydrophobicContact CD1-CD1 4.17Å; F784-I788 HydrophobicContact CD2-CD1 4.34Å; F784-I788 HydrophobicContact CE1-CD1 3.56Å; F784-I788 HydrophobicContact CE2-CD1 3.75Å; F784-I788 HydrophobicContact CE2-CG1 4.38Å; F784-I788 HydrophobicContact CZ-CD1 3.33Å; F784-I788 HydrophobicContact CZ-CG1 4.4Å; F784-I788 WeakPolarHBondContact O-CG1 3.48Å; F784-I788 PolarHBondContact O-N 2.62Å; F784-V814 HydrophobicContact CE1-CG1 4.41Å; F784-V814 HydrophobicContact CE2-CG1 4.4Å; F784-V814 HydrophobicContact CZ-CG1 3.77Å; F784-M818 HydrophobicContact CE1-CB 4.08Å; F784-M818 HydrophobicContact CE1-CG 3.91Å; F784-M818 HydrophobicContact CZ-CB 4.17Å; F784-M818 HydrophobicContact CZ-CG 4.45Å; F784-F856 HydrophobicContact CB-CZ 4.23Å; F784-F856 AromaticContact CD1-CE1 3.61Å; F784-F856 HydrophobicContact CD1-CE1 3.61Å; F784-F856 AromaticContact CD1-CZ 3.64Å; F784-F856 HydrophobicContact CD1-CZ 3.64Å; F784-F856 AromaticContact CE1-CE1 3.63Å; F784-F856 HydrophobicContact CE1-CE1 3.63Å; F784-F856 HydrophobicContact CE1-CZ 4.15Å; F784-F856 HydrophobicContact CG-CE1 4.13Å; F784-F856 HydrophobicContact CG-CZ 4Å; F784-F856 HydrophobicContact CZ-CE1 4.17Å |
| 785 | L | 90.7 | Very high | 80.7 | Confident | 21 Ų | 21 | 53.5 Ų | 53.5 | 11% | 0.11 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -71.1 | -38.7 | 174.8 | -67.7 | 171.9 | 0 | 0 | 0 | 112 | P781 S782 I788 S789 M818 V864 | P781-L785 HydrophobicContact CB-CD1 4.15Å; P781-L785 HydrophobicContact CB-CG 4.32Å; P781-L785 HydrophobicContact CG-CD1 4.33Å; P781-L785 VanDerWaalsContact O-CG 3.3Å; P781-L785 WeakPolarHBondContact O-CG 3.27Å; P781-L785 PolarHBondContact O-N 3.26Å; S782-L785 PolarHBondContact O-N 3.26Å; L785-I788 PolarHBondContact O-N 2.99Å; L785-S789 WeakPolarHBondContact O-CB 3.41Å; L785-S789 PolarHBondContact O-N 2.95Å; L785-S789 PolarHBondContact O-OG 2.71Å; L785-M818 HydrophobicContact CD2-CE 3.63Å; L785-M818 HydrophobicContact CD2-CG 4.43Å; L785-M818 HydrophobicContact CD2-SD 4.3Å; L785-V864 HydrophobicContact CD1-CG2 3.66Å; L785-V864 HydrophobicContact CD2-CG2 3.7Å; L785-V864 HydrophobicContact CG-CG2 4.32Å |
| 786 | L | 87.8 | Confident | 82.7 | Confident | 103 Ų | 103 | 50.9 Ų | 50.9 | 54% | 0.539 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.2 | -42.3 | 171.3 | -72.5 | 171 | 0 | 0 | 0 | 111.3 | S782 S789 S790 | S782-L786 WeakPolarHBondContact O-CB 3.4Å; S782-L786 VanDerWaalsContact O-CG 3.3Å; S782-L786 WeakPolarHBondContact O-CG 3.21Å; S782-L786 PolarHBondContact O-N 3.08Å; L786-S789 WeakPolarHBondContact O-CB 3.31Å; L786-S789 PolarHBondContact O-N 3.11Å; L786-S790 PolarHBondContact O-N 3.17Å; L786-S790 VanDerWaalsContact O-N 3.11Å; L786-S790 PolarHBondContact O-OG 3.39Å |
| 787 | F | 90 | Very high | 83.5 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.7 | -49.3 | 172.7 | -177.7 | -105.3 | 0 | 0 | 0 | 111.9 | I704 L706 Y746 L767 Y769 D783 F784 S789 S790 V791 L815 | I704-F787 HydrophobicContact CG2-CE1 3.89Å; I704-F787 HydrophobicContact CG2-CZ 3.99Å; L706-F787 HydrophobicContact CD2-CD1 4.48Å; L706-F787 HydrophobicContact CD2-CE1 3.71Å; L706-F787 HydrophobicContact CD2-CZ 4.29Å; Y746-F787 HydrophobicContact CD1-CB 4.36Å; Y746-F787 AromaticContact CD1-CD2 3.64Å; Y746-F787 HydrophobicContact CD1-CD2 3.64Å; Y746-F787 HydrophobicContact CD1-CE2 4.47Å; Y746-F787 HydrophobicContact CD1-CG 4.49Å; Y746-F787 AromaticContact CD2-CD2 3.89Å; Y746-F787 HydrophobicContact CD2-CD2 3.89Å; Y746-F787 HydrophobicContact CD2-CE2 4.04Å; Y746-F787 HydrophobicContact CE1-CD2 4.2Å; Y746-F787 HydrophobicContact CE2-CD2 4.41Å; Y746-F787 AromaticContact CG-CD2 3.47Å; Y746-F787 HydrophobicContact CG-CD2 3.47Å; Y746-F787 VanDerWaalsContact CG-CD2 3.47Å; Y746-F787 AromaticContact CG-CE2 3.86Å; Y746-F787 HydrophobicContact CG-CE2 3.86Å; L767-F787 HydrophobicContact CB-CE2 3.8Å; L767-F787 HydrophobicContact CB-CZ 3.9Å; Y769-F787 HydrophobicContact CD2-CB 3.62Å; Y769-F787 AromaticContact CD2-CD1 3.9Å; Y769-F787 HydrophobicContact CD2-CD1 3.9Å; Y769-F787 AromaticContact CD2-CD2 3.72Å; Y769-F787 HydrophobicContact CD2-CD2 3.72Å; Y769-F787 HydrophobicContact CD2-CE1 4.49Å; Y769-F787 HydrophobicContact CD2-CE2 4.3Å; Y769-F787 AromaticContact CD2-CG 3.46Å; Y769-F787 HydrophobicContact CD2-CG 3.46Å; Y769-F787 VanDerWaalsContact CD2-CG 3.46Å; Y769-F787 HydrophobicContact CE2-CB 3.81Å; Y769-F787 HydrophobicContact CE2-CG 4.17Å; Y769-F787 HydrophobicContact CG-CD1 4.3Å; Y769-F787 HydrophobicContact CG-CD2 4.46Å; Y769-F787 HydrophobicContact CG-CG 4.26Å; D783-F787 WeakPolarHBondContact O-CB 3.28Å; D783-F787 PolarHBondContact O-N 2.66Å; F784-F787 PolarHBondContact O-N 3.18Å; F787-S789 VanDerWaalsContact C-N 3.27Å; F787-S789 PolarHBondContact O-N 2.72Å; F787-S790 CarbonylContact O-C 3.44Å; F787-S790 WeakPolarHBondContact O-CA 3.41Å; F787-S790 VanDerWaalsContact O-CB 3.31Å; F787-S790 WeakPolarHBondContact O-CB 3.48Å; F787-S790 PolarHBondContact O-N 2.83Å; F787-V791 HydrophobicContact CD1-CG2 4.06Å; F787-V791 HydrophobicContact CE1-CG2 3.73Å; F787-V791 HydrophobicContact CZ-CG2 4.11Å; F787-V791 WeakPolarHBondContact O-CG2 3.5Å; F787-V791 PolarHBondContact O-N 3.47Å; F787-L815 HydrophobicContact CD1-CD1 4.17Å; F787-L815 HydrophobicContact CE1-CD1 3.81Å |
| 788 | I | 93.8 | Very high | 83.7 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62 | -35.6 | 178.2 | -77.7 | 177.3 | 0 | 0 | 0 | 111.8 | F784 L785 S790 V791 R792 L815 M818 L822 | F784-I788 HydrophobicContact CD1-CD1 4.17Å; F784-I788 HydrophobicContact CD2-CD1 4.34Å; F784-I788 HydrophobicContact CE1-CD1 3.56Å; F784-I788 HydrophobicContact CE2-CD1 3.75Å; F784-I788 HydrophobicContact CE2-CG1 4.38Å; F784-I788 HydrophobicContact CZ-CD1 3.33Å; F784-I788 HydrophobicContact CZ-CG1 4.4Å; F784-I788 WeakPolarHBondContact O-CG1 3.48Å; F784-I788 PolarHBondContact O-N 2.62Å; L785-I788 PolarHBondContact O-N 2.99Å; I788-S790 VanDerWaalsContact C-N 3.31Å; I788-S790 PolarHBondContact O-N 3.29Å; I788-V791 WeakPolarHBondContact O-CB 3.46Å; I788-V791 PolarHBondContact O-N 3.34Å; I788-V791 VanDerWaalsContact O-N 3.1Å; I788-R792 HydrophobicContact CG2-CG 4.23Å; I788-R792 WeakPolarHBondContact O-CG 3.35Å; I788-R792 PolarHBondContact O-N 2.79Å; I788-L815 HydrophobicContact CD1-CG 4.29Å; I788-L815 HydrophobicContact CG1-CD1 4.17Å; I788-L815 HydrophobicContact CG1-CG 4.25Å; I788-M818 HydrophobicContact CD1-CB 3.64Å; I788-M818 HydrophobicContact CD1-CG 3.55Å; I788-L822 HydrophobicContact CG2-CD1 3.57Å |
| 789 | S | 91.6 | Very high | 84.6 | Confident | 58 Ų | 58 | 59 Ų | 59 | 41% | 0.406 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -59.2 | -45.1 | 173 | -56.5 | 0 | 0 | 0 | 0 | 110.8 | L785 L786 F787 V791 R792 E793 | L785-S789 WeakPolarHBondContact O-CB 3.41Å; L785-S789 PolarHBondContact O-N 2.95Å; L785-S789 PolarHBondContact O-OG 2.71Å; L786-S789 WeakPolarHBondContact O-CB 3.31Å; L786-S789 PolarHBondContact O-N 3.11Å; F787-S789 VanDerWaalsContact C-N 3.27Å; F787-S789 PolarHBondContact O-N 2.72Å; S789-V791 VanDerWaalsContact C-N 3.34Å; S789-V791 PolarHBondContact O-N 3.27Å; S789-R792 PolarHBondContact O-N 3.34Å; S789-E793 WeakPolarHBondContact O-CG 3.27Å; S789-E793 PolarHBondContact O-N 3.19Å |
| 790 | S | 90.6 | Very high | 86.5 | Confident | 11 Ų | 11 | 52.1 Ų | 52.1 | 8% | 0.077 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.2 | -33.5 | 172.7 | -62.9 | 0 | 0 | 0 | 0 | 113.6 | Y746 L786 F787 I788 R794 | Y746-S790 PolarHBondContact OH-OG 3.19Å; L786-S790 PolarHBondContact O-N 3.17Å; L786-S790 VanDerWaalsContact O-N 3.11Å; L786-S790 PolarHBondContact O-OG 3.39Å; F787-S790 CarbonylContact O-C 3.44Å; F787-S790 WeakPolarHBondContact O-CA 3.41Å; F787-S790 VanDerWaalsContact O-CB 3.31Å; F787-S790 WeakPolarHBondContact O-CB 3.48Å; F787-S790 PolarHBondContact O-N 2.83Å; I788-S790 VanDerWaalsContact C-N 3.31Å; I788-S790 PolarHBondContact O-N 3.29Å; S790-R794 WeakPolarHBondContact O-CD 3.37Å; S790-R794 PolarHBondContact O-NH1 3.39Å |
| 791 | V | 93.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.7 | -46.7 | 173.6 | 177.1 | 0 | 0 | 0 | 0 | 110.7 | I704 L767 F787 I788 S789 E793 R794 R795 L801 L815 | I704-V791 HydrophobicContact CD1-CB 4.43Å; I704-V791 HydrophobicContact CD1-CG1 4.02Å; I704-V791 HydrophobicContact CD1-CG2 3.72Å; I704-V791 HydrophobicContact CG1-CG1 4.24Å; I704-V791 HydrophobicContact CG1-CG2 4.41Å; L767-V791 HydrophobicContact CD1-CG2 4.14Å; F787-V791 HydrophobicContact CD1-CG2 4.06Å; F787-V791 HydrophobicContact CE1-CG2 3.73Å; F787-V791 HydrophobicContact CZ-CG2 4.11Å; F787-V791 WeakPolarHBondContact O-CG2 3.5Å; F787-V791 PolarHBondContact O-N 3.47Å; I788-V791 WeakPolarHBondContact O-CB 3.46Å; I788-V791 PolarHBondContact O-N 3.34Å; I788-V791 VanDerWaalsContact O-N 3.1Å; S789-V791 VanDerWaalsContact C-N 3.34Å; S789-V791 PolarHBondContact O-N 3.27Å; V791-E793 PolarHBondContact O-N 3.21Å; V791-R794 PolarHBondContact O-N 2.9Å; V791-R794 VanDerWaalsContact O-N 3.11Å; V791-R795 PolarHBondContact O-N 2.93Å; V791-L801 HydrophobicContact CG1-CD1 3.52Å; V791-L815 HydrophobicContact CG2-CD1 4.49Å |
| 792 | R | 92.1 | Very high | 88.4 | Confident | 82 Ų | 82 | 48.4 Ų | 48.4 | 31% | 0.309 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.2 | -40.3 | -178.4 | -69.2 | -175.4 | 73.1 | -162.6 | 3 | 112.7 | I788 S789 R794 R795 E819 D826 | I788-R792 HydrophobicContact CG2-CG 4.23Å; I788-R792 WeakPolarHBondContact O-CG 3.35Å; I788-R792 PolarHBondContact O-N 2.79Å; S789-R792 PolarHBondContact O-N 3.34Å; R792-R794 PolarHBondContact O-N 3.36Å; R792-R794 VanDerWaalsContact O-N 3.1Å; R792-R795 PolarHBondContact O-N 3.21Å; R792-E819 HydrophobicContact CG-CG 3.98Å; R792-D826 IonicContact CZ-OD2 3.86Å; R792-D826 IonicContact NH1-OD2 2.71Å; R792-D826 PolarHBondContact NH1-OD2 3.04Å; R792-D826 IonicContact NH2-OD2 3.53Å; R792-D826 PolarHBondContact NH2-OD2 3.45Å |
| 793 | E | 90.7 | Very high | 89 | Confident | 138 Ų | 138 | 47 Ų | 47 | 65% | 0.645 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -27.3 | 172.2 | -78.2 | 170.7 | -172.1 | 0 | 0 | 113.9 | S789 V791 | S789-E793 WeakPolarHBondContact O-CG 3.27Å; S789-E793 PolarHBondContact O-N 3.19Å; V791-E793 PolarHBondContact O-N 3.21Å |
| 794 | R | 87.4 | Confident | 89.9 | Confident | 89 Ų | 89 | 43.6 Ų | 43.6 | 34% | 0.336 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | -0.9 | -173.3 | -70.3 | 159.2 | -173.5 | 68.9 | 6.9 | 113.3 | S790 V791 R792 | S790-R794 WeakPolarHBondContact O-CD 3.37Å; S790-R794 PolarHBondContact O-NH1 3.39Å; V791-R794 PolarHBondContact O-N 2.9Å; V791-R794 VanDerWaalsContact O-N 3.11Å; R792-R794 PolarHBondContact O-N 3.36Å; R792-R794 VanDerWaalsContact O-N 3.1Å |
| 795 | R | 88.8 | Confident | 90.2 | Very high | 46 Ų | 46 | 43.7 Ų | 43.7 | 17% | 0.174 | 23% | 0.23 | C | C | . | . | trans | -75.8 | 122.9 | 176 | 177 | 175.1 | -69.6 | -82 | 8.1 | 110.8 | R676 Y677 V791 R792 L801 E819 | R676-R795 PolarHBondContact O-NH1 2.84Å; Y677-R795 PolarHBondContact OH-NH2 3.44Å; V791-R795 PolarHBondContact O-N 2.93Å; R792-R795 PolarHBondContact O-N 3.21Å; R795-L801 VanDerWaalsContact NH2-CD1 3.32Å; R795-E819 IonicContact CZ-OE1 3.9Å; R795-E819 IonicContact CZ-OE2 2.76Å; R795-E819 IonicContact NE-OE1 3.59Å; R795-E819 PolarHBondContact NE-OE1 3.38Å; R795-E819 IonicContact NE-OE2 3.31Å; R795-E819 VanDerWaalsContact NH2-CD 3.32Å; R795-E819 IonicContact NH2-OE1 2.74Å; R795-E819 PolarHBondContact NH2-OE1 2.81Å; R795-E819 VanDerWaalsContact NH2-OE1 3.15Å; R795-E819 IonicContact NH2-OE2 3.96Å; R795-E819 PolarHBondContact NH2-OE2 3.35Å | ||
| 796 | K | 82.3 | Confident | 90.4 | Very high | 97 Ų | 97 | 43 Ų | 43 | 42% | 0.422 | 23% | 0.228 | S | C | . | . | trans | -90.5 | 146.1 | 162 | -44.3 | -150.3 | -148.3 | 83 | 0 | 109.6 | H701 T798 E799 | H701-K796 PolarHBondContact CD2-NZ 3.2Å; K796-T798 VanDerWaalsContact C-N 3.3Å; K796-T798 PolarHBondContact O-N 3.35Å; K796-E799 HydrophobicContact CB-CB 4.36Å; K796-E799 HydrophobicContact CB-CG 4.22Å; K796-E799 VanDerWaalsContact CD-OE1 3.3Å; K796-E799 WeakPolarHBondContact CD-OE1 3.21Å; K796-E799 WeakPolarHBondContact CG-OE2 3.35Å; K796-E799 IonicContact NZ-OE1 3.57Å; K796-E799 PolarHBondContact NZ-OE1 3.25Å; K796-E799 IonicContact NZ-OE2 2.65Å; K796-E799 PolarHBondContact NZ-OE2 3.42Å; K796-E799 PolarHBondContact O-N 3.14Å | ||
| 797 | A | 70.9 | Confident | 90.8 | Very high | 97 Ų | 97 | 38.5 Ų | 38.5 | 80% | 0.802 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -66.1 | -25 | -168.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 798 | T | 76.4 | Confident | 91 | Very high | 99 Ų | 99 | 38.5 Ų | 38.5 | 61% | 0.607 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -96.4 | -22.8 | -177.2 | 43.3 | 0 | 0 | 0 | 0 | 113.9 | R676 K796 | R676-T798 PolarHBondContact NH1-O 3.21Å; K796-T798 VanDerWaalsContact C-N 3.3Å; K796-T798 PolarHBondContact O-N 3.35Å |
| 799 | E | 87 | Confident | 91.2 | Very high | 43 Ų | 43 | 38.5 Ų | 38.5 | 20% | 0.201 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -94.4 | 140.5 | -164.9 | -67.1 | 168.1 | -159.6 | 0 | 0 | 112.7 | H701 K796 | H701-E799 IonicContact CD2-OE1 2.79Å; H701-E799 IonicContact CD2-OE2 3.9Å; H701-E799 PolarHBondContact CD2-OE2 2.9Å; H701-E799 VanDerWaalsContact CD2-OE2 3.31Å; H701-E799 IonicContact CG-OE2 3.79Å; K796-E799 HydrophobicContact CB-CB 4.36Å; K796-E799 HydrophobicContact CB-CG 4.22Å; K796-E799 VanDerWaalsContact CD-OE1 3.3Å; K796-E799 WeakPolarHBondContact CD-OE1 3.21Å; K796-E799 WeakPolarHBondContact CG-OE2 3.35Å; K796-E799 IonicContact NZ-OE1 3.57Å; K796-E799 PolarHBondContact NZ-OE1 3.25Å; K796-E799 IonicContact NZ-OE2 2.65Å; K796-E799 PolarHBondContact NZ-OE2 3.42Å; K796-E799 PolarHBondContact O-N 3.14Å |
| 800 | P | 94.6 | Very high | 91.4 | Very high | 24 Ų | 24 | 35.8 Ų | 35.8 | 16% | 0.156 | 19% | 0.186 | C | C | . | . | P | Polyproline II helix | trans | -77.2 | 138.8 | 171.7 | 27.1 | -25.7 | 0 | 0 | 0 | 111.7 | R676 I678 T700 | R676-P800 HydrophobicContact CB-CB 4.08Å; I678-P800 HydrophobicContact CD1-CB 4.42Å; I678-P800 HydrophobicContact CD1-CG 4.28Å; I678-P800 HydrophobicContact CG1-CB 4.35Å; T700-P800 HydrophobicContact CG2-CG 4.14Å |
| 801 | L | 97.4 | Very high | 91.6 | Very high | 6 Ų | 6 | 36.4 Ų | 36.4 | 3% | 0.031 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 131.7 | 165.7 | -61.1 | -172 | 0 | 0 | 0 | 110.1 | R676 Y677 I678 T702 V791 R795 V803 | R676-L801 PolarHBondContact O-N 3.15Å; Y677-L801 CarbonylContact C-O 3.53Å; Y677-L801 VanDerWaalsContact CA-O 3.25Å; Y677-L801 WeakPolarHBondContact CA-O 3.5Å; Y677-L801 HydrophobicContact CD1-CB 4.16Å; I678-L801 PolarHBondContact N-O 3.27Å; T702-L801 HydrophobicContact CG2-CD2 3.99Å; V791-L801 HydrophobicContact CG1-CD1 3.52Å; R795-L801 VanDerWaalsContact NH2-CD1 3.32Å; L801-V803 HydrophobicContact CB-CG2 4.09Å; L801-V803 PolarHBondContact O-N 3.35Å |
| 802 | M | 98.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 115.5 | 170.9 | -175.5 | 63.3 | 166.2 | 0 | 0 | 108.5 | I678 A680 F691 T694 V695 T700 T702 I703 I704 | I678-M802 HydrophobicContact CB-SD 3.74Å; I678-M802 HydrophobicContact CG2-CE 4.3Å; I678-M802 HydrophobicContact CG2-SD 3.47Å; I678-M802 WeakPolarHBondContact CG2-SD 3.45Å; A680-M802 HydrophobicContact CB-CE 3.63Å; A680-M802 HydrophobicContact CB-SD 4.36Å; F691-M802 HydrophobicContact CD2-CE 3.61Å; F691-M802 HydrophobicContact CE1-CE 4.47Å; F691-M802 HydrophobicContact CE2-CE 3.35Å; F691-M802 HydrophobicContact CG-CE 4.34Å; F691-M802 HydrophobicContact CZ-CE 3.82Å; F691-M802 HydrophobicContact CZ-CG 4.18Å; T694-M802 HydrophobicContact CG2-CE 3.95Å; T694-M802 HydrophobicContact CG2-SD 4.28Å; V695-M802 HydrophobicContact CG2-CG 4.38Å; T700-M802 HydrophobicContact CG2-CB 4.22Å; T702-M802 PolarHBondContact O-N 3.14Å; T702-M802 VanDerWaalsContact O-N 3.12Å; I703-M802 CarbonylContact C-O 3.54Å; I703-M802 WeakPolarHBondContact CA-O 3.34Å; I703-M802 HydrophobicContact CB-CB 4.48Å; I703-M802 HydrophobicContact CG1-CB 4.14Å; I703-M802 HydrophobicContact CG1-CG 4.38Å; I703-M802 HydrophobicContact CG2-CB 4.43Å; I703-M802 HydrophobicContact CG2-CG 4.26Å; I704-M802 PolarHBondContact N-O 2.78Å |
| 803 | V | 98.6 | Very high | 92 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 125.9 | -175.3 | -166.1 | 0 | 0 | 0 | 0 | 110.5 | Y677 I678 A679 A680 I704 L706 L801 T812 L815 | Y677-V803 HydrophobicContact CD1-CG2 3.78Å; I678-V803 PolarHBondContact O-N 3.01Å; A679-V803 WeakPolarHBondContact CA-O 3.48Å; A680-V803 PolarHBondContact N-O 3.47Å; I704-V803 HydrophobicContact CB-CB 4.37Å; I704-V803 HydrophobicContact CB-CG1 4.03Å; I704-V803 HydrophobicContact CB-CG2 4.17Å; I704-V803 HydrophobicContact CG1-CG2 4.33Å; I704-V803 HydrophobicContact CG2-CG1 4.06Å; I704-V803 WeakPolarHBondContact O-CA 3.42Å; L706-V803 HydrophobicContact CD1-CG1 4.14Å; L801-V803 HydrophobicContact CB-CG2 4.09Å; L801-V803 PolarHBondContact O-N 3.35Å; V803-T812 HydrophobicContact CB-CG2 4.16Å; V803-T812 HydrophobicContact CG1-CG2 3.88Å; V803-L815 HydrophobicContact CG1-CD2 4.34Å |
| 804 | H | 98.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 162.2 | 176.8 | 80.5 | 96.8 | 0 | 0 | 0 | 113.1 | A680 G682 F691 I704 M705 L706 Y720 | A680-H804 HydrophobicContact CB-CB 4.28Å; A680-H804 WeakPolarHBondContact O-CA 3.39Å; A680-H804 WeakPolarHBondContact O-CB 3.5Å; G682-H804 WeakPolarHBondContact CA-ND1 3.38Å; F691-H804 AromaticContact CZ-CD2 3.94Å; I704-H804 PolarHBondContact O-N 3.14Å; M705-H804 WeakPolarHBondContact CB-NE2 3.27Å; M705-H804 WeakPolarHBondContact CG-CE1 3.47Å; M705-H804 WeakPolarHBondContact CG-NE2 3.18Å; L706-H804 PolarHBondContact N-O 2.74Å; Y720-H804 AromaticContact CE1-CE1 3.78Å; Y720-H804 AromaticContact CE1-NE2 3.48Å; Y720-H804 WeakPolarHBondContact CE1-NE2 3.47Å; Y720-H804 AromaticContact CZ-NE2 3.58Å; Y720-H804 PolarHBondContact OH-NE2 3.27Å |
| 805 | C | 94.2 | Very high | 92.9 | Very high | 3 Ų | 3 | 21.8 Ų | 21.8 | 2% | 0.02 | 13% | 0.125 | C | C | . | . | trans | -131.8 | -132.6 | 162.8 | 56.9 | 0 | 0 | 0 | 0 | 107.7 | G682 L706 G808 R811 T812 | G682-C805 WeakPolarHBondContact CA-O 3.46Å; G682-C805 PolarHBondContact N-O 2.7Å; L706-C805 HydrophobicContact CB-CB 4.07Å; L706-C805 VanDerWaalsContact O-CB 3.3Å; L706-C805 WeakPolarHBondContact O-CB 3.44Å; C805-G808 PolarHBondContact SG-N 3.22Å; C805-R811 HydrophobicContact CB-CB 4.01Å; C805-T812 PolarHBondContact SG-OG1 2.83Å | ||
| 806 | S | 94 | Very high | 93.3 | Very high | 7 Ų | 7 | 19.6 Ų | 19.6 | 5% | 0.049 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -75.6 | -61.5 | 165.5 | -166.2 | 0 | 0 | 0 | 0 | 110.9 | R638 Y639 G682 K716 | R638-S806 WeakPolarHBondContact CD-O 3.3Å; Y639-S806 WeakPolarHBondContact CE2-OG 3.48Å; Y639-S806 PolarHBondContact OH-OG 3.4Å; G682-S806 PolarHBondContact N-O 3.22Å; K716-S806 PolarHBondContact O-OG 3.43Å; K716-S806 VanDerWaalsContact O-OG 3.09Å |
| 807 | A | 95.2 | Very high | 94 | Very high | 8 Ų | 8 | 15 Ų | 15 | 7% | 0.066 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -92.5 | -13 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y639 V642 I809 R844 | Y639-A807 HydrophobicContact CD2-CB 3.69Å; Y639-A807 HydrophobicContact CE2-CB 3.67Å; V642-A807 HydrophobicContact CG1-CB 4.29Å; V642-A807 WeakPolarHBondContact CG1-O 3.45Å; V642-A807 HydrophobicContact CG2-CB 4.26Å; A807-I809 HydrophobicContact CB-CD1 4.21Å; A807-I809 HydrophobicContact CB-CG1 3.69Å; A807-R844 PolarHBondContact O-NH2 3.16Å |
| 808 | G | 96.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 6% | 0.059 | C | C | . | . | S | Bend | trans | 74 | 26.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115 | A680 C805 T812 R844 | A680-G808 WeakPolarHBondContact O-CA 3.39Å; C805-G808 PolarHBondContact SG-N 3.22Å; G808-T812 WeakPolarHBondContact CA-OG1 3.45Å; G808-R844 PolarHBondContact O-NE 3.06Å |
| 809 | I | 97.1 | Very high | 96.2 | Very high | 1 Ų | 1 | 5.7 Ų | 5.7 | 1% | 0.005 | 3% | 0.03 | C | C | . | . | S | Bend | trans | -135.2 | -55.1 | -172.3 | 48.9 | 162.2 | 0 | 0 | 0 | 115.2 | V642 A807 G813 R844 A845 M846 M847 V848 Q849 | V642-I809 HydrophobicContact CB-CD1 4.39Å; V642-I809 HydrophobicContact CG1-CD1 3.68Å; V642-I809 HydrophobicContact CG1-CG1 3.99Å; V642-I809 HydrophobicContact CG1-CG2 3.89Å; V642-I809 HydrophobicContact CG2-CD1 3.76Å; A807-I809 HydrophobicContact CB-CD1 4.21Å; A807-I809 HydrophobicContact CB-CG1 3.69Å; I809-G813 WeakPolarHBondContact O-CA 3.42Å; I809-G813 PolarHBondContact O-N 2.85Å; I809-R844 HydrophobicContact CG2-CG 4.08Å; I809-A845 WeakPolarHBondContact CG2-O 3.14Å; I809-M846 HydrophobicContact CD1-CB 3.7Å; I809-M846 HydrophobicContact CD1-CE 4.34Å; I809-M847 HydrophobicContact CB-SD 4.36Å; I809-M847 HydrophobicContact CG2-SD 4.19Å; I809-M847 WeakPolarHBondContact O-CA 3.45Å; I809-V848 PolarHBondContact O-N 3.12Å; I809-V848 VanDerWaalsContact O-N 3.07Å; I809-Q849 HydrophobicContact CB-CG 4.48Å; I809-Q849 VanDerWaalsContact CD1-CD 3.46Å; I809-Q849 HydrophobicContact CD1-CG 3.71Å; I809-Q849 HydrophobicContact CG1-CG 3.96Å |
| 810 | G | 94.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 3.6 Ų | 3.6 | 0% | 0 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -69.7 | -76.5 | -177 | 0 | 0 | 0 | 0 | 0 | 113.3 | T812 G813 V814 Q853 | G810-T812 PolarHBondContact O-N 3.3Å; G810-G813 PolarHBondContact O-N 2.81Å; G810-V814 PolarHBondContact O-N 2.84Å; G810-V814 VanDerWaalsContact O-N 3.08Å; G810-Q853 VanDerWaalsContact CA-OE1 3.23Å |
| 811 | R | 95 | Very high | 96.7 | Very high | 25 Ų | 25 | 2.5 Ų | 2.5 | 9% | 0.094 | 1% | 0.013 | C | C | . | . | H | α-helix | trans | -55.3 | -40.4 | 177.8 | -59.5 | -170.8 | -93.1 | -171.1 | -0.3 | 111.9 | L706 T707 E711 W772 C805 V814 L815 | L706-R811 HydrophobicContact CB-CB 4Å; L706-R811 HydrophobicContact CD1-CB 4.33Å; L706-R811 WeakPolarHBondContact CD1-O 3.47Å; L706-R811 VanDerWaalsContact O-CD 3.32Å; L706-R811 WeakPolarHBondContact O-CD 3.36Å; L706-R811 PolarHBondContact O-NE 2.76Å; L706-R811 PolarHBondContact O-NH1 3.37Å; T707-R811 PolarHBondContact OG1-NH2 2.9Å; E711-R811 VanDerWaalsContact CD-NH2 3.26Å; E711-R811 IonicContact OE1-CZ 2.7Å; E711-R811 VanDerWaalsContact OE1-CZ 3.23Å; E711-R811 IonicContact OE1-NH1 2.69Å; E711-R811 PolarHBondContact OE1-NH1 2.88Å; E711-R811 IonicContact OE1-NH2 3.18Å; E711-R811 PolarHBondContact OE1-NH2 3.05Å; E711-R811 IonicContact OE2-CZ 3.67Å; E711-R811 IonicContact OE2-NH1 2.74Å; E711-R811 IonicContact OE2-NH2 3.14Å; E711-R811 PolarHBondContact OE2-NH2 2.91Å; W772-R811 HydrophobicContact CD2-CB 4.18Å; W772-R811 HydrophobicContact CD2-CG 3.71Å; W772-R811 HydrophobicContact CE3-CB 3.94Å; W772-R811 HydrophobicContact CE3-CG 4.01Å; W772-R811 VanDerWaalsContact CG-CD 3.49Å; W772-R811 HydrophobicContact CG-CG 4.27Å; W772-R811 HydrophobicContact CH2-CB 3.83Å; W772-R811 HydrophobicContact CH2-CG 4.11Å; W772-R811 HydrophobicContact CZ2-CB 4.05Å; W772-R811 HydrophobicContact CZ2-CG 3.79Å; W772-R811 HydrophobicContact CZ3-CB 3.76Å; W772-R811 HydrophobicContact CZ3-CG 4.19Å; C805-R811 HydrophobicContact CB-CB 4.01Å; R811-V814 PolarHBondContact O-N 2.78Å; R811-L815 PolarHBondContact O-N 2.69Å; R811-L815 VanDerWaalsContact O-N 3.17Å |
| 812 | T | 97.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 2.8 Ų | 2.8 | 0% | 0 | 2% | 0.015 | C | C | . | . | H | α-helix | trans | -57.4 | -47.1 | 173.4 | -54.2 | 0 | 0 | 0 | 0 | 112.5 | A679 V803 C805 G808 G810 I816 M847 | A679-T812 HydrophobicContact CB-CG2 3.95Å; V803-T812 HydrophobicContact CB-CG2 4.16Å; V803-T812 HydrophobicContact CG1-CG2 3.88Å; C805-T812 PolarHBondContact SG-OG1 2.83Å; G808-T812 WeakPolarHBondContact CA-OG1 3.45Å; G810-T812 PolarHBondContact O-N 3.3Å; T812-I816 HydrophobicContact CG2-CD1 4.24Å; T812-I816 WeakPolarHBondContact O-CG1 3.29Å; T812-I816 PolarHBondContact O-N 3.31Å; T812-M847 HydrophobicContact CG2-CE 4.3Å |
| 813 | G | 97.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 3.6 Ų | 3.6 | 0% | 0 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -69.2 | -34.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | I809 G810 I816 T817 M847 | I809-G813 WeakPolarHBondContact O-CA 3.42Å; I809-G813 PolarHBondContact O-N 2.85Å; G810-G813 PolarHBondContact O-N 2.81Å; G813-I816 PolarHBondContact O-N 2.91Å; G813-T817 VanDerWaalsContact O-CB 3.3Å; G813-T817 WeakPolarHBondContact O-CB 3.3Å; G813-T817 PolarHBondContact O-N 3.47Å; G813-T817 PolarHBondContact O-OG1 3.38Å; G813-M847 VanDerWaalsContact CA-CE 3.43Å |
| 814 | V | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 4.1 Ų | 4.1 | 0% | 0 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -63.7 | -45.4 | 176.2 | 168.6 | 0 | 0 | 0 | 0 | 111.3 | W772 F784 G810 R811 T817 M818 V848 Q853 F856 V857 | W772-V814 HydrophobicContact CH2-CB 3.83Å; W772-V814 HydrophobicContact CH2-CG1 3.65Å; W772-V814 HydrophobicContact CZ2-CB 4.32Å; W772-V814 HydrophobicContact CZ2-CG1 4.13Å; F784-V814 HydrophobicContact CE1-CG1 4.41Å; F784-V814 HydrophobicContact CE2-CG1 4.4Å; F784-V814 HydrophobicContact CZ-CG1 3.77Å; G810-V814 PolarHBondContact O-N 2.84Å; G810-V814 VanDerWaalsContact O-N 3.08Å; R811-V814 PolarHBondContact O-N 2.78Å; V814-T817 PolarHBondContact O-N 3.12Å; V814-M818 WeakPolarHBondContact O-CB 3.33Å; V814-M818 PolarHBondContact O-N 3.26Å; V814-V848 HydrophobicContact CG2-CG1 4.2Å; V814-V848 HydrophobicContact CG2-CG2 4.18Å; V814-Q853 HydrophobicContact CG2-CB 3.68Å; V814-Q853 HydrophobicContact CG2-CG 4.13Å; V814-Q853 WeakPolarHBondContact CG2-O 3.39Å; V814-F856 HydrophobicContact CG1-CD1 4Å; V814-F856 HydrophobicContact CG1-CE1 4.14Å; V814-V857 HydrophobicContact CG1-CB 4.25Å |
| 815 | L | 97.6 | Very high | 95.7 | Very high | 1 Ų | 1 | 4.7 Ų | 4.7 | 1% | 0.005 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -61.8 | -45.9 | 176 | 179.8 | 142.6 | 0 | 0 | 0 | 112.1 | I704 L706 F787 I788 V791 V803 R811 T817 M818 E819 | I704-L815 HydrophobicContact CG2-CD1 3.88Å; L706-L815 HydrophobicContact CD1-CB 3.8Å; L706-L815 HydrophobicContact CD1-CD1 4.03Å; L706-L815 HydrophobicContact CD1-CG 4.48Å; L706-L815 HydrophobicContact CD2-CD1 3.92Å; F787-L815 HydrophobicContact CD1-CD1 4.17Å; F787-L815 HydrophobicContact CE1-CD1 3.81Å; I788-L815 HydrophobicContact CD1-CG 4.29Å; I788-L815 HydrophobicContact CG1-CD1 4.17Å; I788-L815 HydrophobicContact CG1-CG 4.25Å; V791-L815 HydrophobicContact CG2-CD1 4.49Å; V803-L815 HydrophobicContact CG1-CD2 4.34Å; R811-L815 PolarHBondContact O-N 2.69Å; R811-L815 VanDerWaalsContact O-N 3.17Å; L815-T817 VanDerWaalsContact C-N 3.34Å; L815-T817 PolarHBondContact O-N 3.35Å; L815-M818 PolarHBondContact O-N 2.86Å; L815-E819 PolarHBondContact O-N 2.73Å |
| 816 | I | 97.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 8.5 Ų | 8.5 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -66 | -38.9 | -179.7 | -64 | 176.1 | 0 | 0 | 0 | 111.1 | V666 Y677 T812 G813 T820 L840 M847 | V666-I816 HydrophobicContact CG2-CG2 4.05Å; Y677-I816 HydrophobicContact CD1-CD1 3.89Å; Y677-I816 HydrophobicContact CD1-CG1 3.82Å; Y677-I816 HydrophobicContact CD2-CD1 4.07Å; Y677-I816 HydrophobicContact CD2-CG1 4.3Å; Y677-I816 HydrophobicContact CD2-CG2 4.04Å; Y677-I816 HydrophobicContact CE1-CB 4.45Å; Y677-I816 HydrophobicContact CE1-CD1 4.24Å; Y677-I816 HydrophobicContact CE1-CG1 3.66Å; Y677-I816 HydrophobicContact CE1-CG2 4.39Å; Y677-I816 HydrophobicContact CE2-CB 4.4Å; Y677-I816 HydrophobicContact CE2-CD1 4.44Å; Y677-I816 HydrophobicContact CE2-CG1 4.19Å; Y677-I816 HydrophobicContact CE2-CG2 3.51Å; Y677-I816 HydrophobicContact CG-CD1 3.78Å; Y677-I816 HydrophobicContact CG-CG1 4.12Å; T812-I816 HydrophobicContact CG2-CD1 4.24Å; T812-I816 WeakPolarHBondContact O-CG1 3.29Å; T812-I816 PolarHBondContact O-N 3.31Å; G813-I816 PolarHBondContact O-N 2.91Å; I816-T820 VanDerWaalsContact O-CB 3.3Å; I816-T820 WeakPolarHBondContact O-CB 3.4Å; I816-T820 PolarHBondContact O-N 2.66Å; I816-T820 PolarHBondContact O-OG1 2.89Å; I816-L840 HydrophobicContact CB-CD1 4.21Å; I816-L840 HydrophobicContact CB-CD2 4.39Å; I816-L840 HydrophobicContact CG2-CD1 4.01Å; I816-L840 HydrophobicContact CG2-CD2 3.49Å; I816-L840 VanDerWaalsContact CG2-CD2 3.49Å; I816-L840 HydrophobicContact CG2-CG 4.4Å; I816-M847 HydrophobicContact CD1-CE 3.95Å |
| 817 | T | 97.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -63.3 | -45.3 | 176.1 | -58.3 | 0 | 0 | 0 | 0 | 111.1 | G813 V814 L815 T820 A821 I836 V837 L840 V857 | G813-T817 VanDerWaalsContact O-CB 3.3Å; G813-T817 WeakPolarHBondContact O-CB 3.3Å; G813-T817 PolarHBondContact O-N 3.47Å; G813-T817 PolarHBondContact O-OG1 3.38Å; V814-T817 PolarHBondContact O-N 3.12Å; L815-T817 VanDerWaalsContact C-N 3.34Å; L815-T817 PolarHBondContact O-N 3.35Å; T817-T820 PolarHBondContact O-N 3.36Å; T817-A821 WeakPolarHBondContact O-CB 3.04Å; T817-A821 PolarHBondContact O-N 3.48Å; T817-I836 HydrophobicContact CG2-CB 4.34Å; T817-I836 HydrophobicContact CG2-CG2 3.95Å; T817-V837 HydrophobicContact CG2-CG2 4.28Å; T817-L840 WeakPolarHBondContact OG1-CD1 3.25Å; T817-V857 HydrophobicContact CG2-CG1 4.03Å; T817-V857 HydrophobicContact CG2-CG2 3.95Å |
| 818 | M | 97.6 | Very high | 95 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -64.7 | -47.2 | 177.9 | -169.9 | 72.2 | -146.1 | 0 | 0 | 111.9 | F784 L785 I788 V814 L815 T820 A821 L822 V857 A860 I861 V864 | F784-M818 HydrophobicContact CE1-CB 4.08Å; F784-M818 HydrophobicContact CE1-CG 3.91Å; F784-M818 HydrophobicContact CZ-CB 4.17Å; F784-M818 HydrophobicContact CZ-CG 4.45Å; L785-M818 HydrophobicContact CD2-CE 3.63Å; L785-M818 HydrophobicContact CD2-CG 4.43Å; L785-M818 HydrophobicContact CD2-SD 4.3Å; I788-M818 HydrophobicContact CD1-CB 3.64Å; I788-M818 HydrophobicContact CD1-CG 3.55Å; V814-M818 WeakPolarHBondContact O-CB 3.33Å; V814-M818 PolarHBondContact O-N 3.26Å; L815-M818 PolarHBondContact O-N 2.86Å; M818-T820 VanDerWaalsContact C-N 3.33Å; M818-T820 PolarHBondContact O-N 3.46Å; M818-A821 PolarHBondContact O-N 2.64Å; M818-L822 HydrophobicContact CE-CD1 4.19Å; M818-L822 HydrophobicContact CE-CD2 3.69Å; M818-L822 HydrophobicContact CE-CG 3.79Å; M818-L822 HydrophobicContact CG-CD1 4.38Å; M818-L822 VanDerWaalsContact O-CG 3.32Å; M818-L822 WeakPolarHBondContact O-CG 3.35Å; M818-L822 PolarHBondContact O-N 3.39Å; M818-V857 HydrophobicContact CB-CG2 3.84Å; M818-V857 HydrophobicContact SD-CG2 4Å; M818-A860 HydrophobicContact CE-CB 4.33Å; M818-A860 HydrophobicContact SD-CB 3.76Å; M818-I861 HydrophobicContact CE-CG1 4.01Å; M818-I861 HydrophobicContact SD-CG1 3.74Å; M818-V864 HydrophobicContact CE-CG2 4.08Å |
| 819 | E | 95.9 | Very high | 94.7 | Very high | 1 Ų | 1 | 17.3 Ų | 17.3 | 1% | 0.005 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -63.2 | -39.7 | 179 | -167.8 | -174.8 | -171.7 | 0 | 0 | 111.9 | L675 Y677 R792 R795 L815 L822 S823 | L675-E819 HydrophobicContact CD1-CG 4.33Å; Y677-E819 WeakPolarHBondContact CE1-OE2 3.26Å; Y677-E819 VanDerWaalsContact CZ-OE2 3.29Å; Y677-E819 PolarHBondContact OH-OE2 2.65Å; R792-E819 HydrophobicContact CG-CG 3.98Å; R795-E819 IonicContact CZ-OE1 3.9Å; R795-E819 IonicContact CZ-OE2 2.76Å; R795-E819 IonicContact NE-OE1 3.59Å; R795-E819 PolarHBondContact NE-OE1 3.38Å; R795-E819 IonicContact NE-OE2 3.31Å; R795-E819 VanDerWaalsContact NH2-CD 3.32Å; R795-E819 IonicContact NH2-OE1 2.74Å; R795-E819 PolarHBondContact NH2-OE1 2.81Å; R795-E819 VanDerWaalsContact NH2-OE1 3.15Å; R795-E819 IonicContact NH2-OE2 3.96Å; R795-E819 PolarHBondContact NH2-OE2 3.35Å; L815-E819 PolarHBondContact O-N 2.73Å; E819-L822 PolarHBondContact O-N 3.31Å; E819-S823 PolarHBondContact O-N 3.1Å; E819-S823 PolarHBondContact O-OG 3.29Å |
| 820 | T | 95.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -59.7 | -48.9 | 173.6 | -59.2 | 0 | 0 | 0 | 0 | 111.4 | V666 I816 T817 M818 L822 S823 L824 I836 | V666-T820 HydrophobicContact CG1-CG2 3.57Å; I816-T820 VanDerWaalsContact O-CB 3.3Å; I816-T820 WeakPolarHBondContact O-CB 3.4Å; I816-T820 PolarHBondContact O-N 2.66Å; I816-T820 PolarHBondContact O-OG1 2.89Å; T817-T820 PolarHBondContact O-N 3.36Å; M818-T820 VanDerWaalsContact C-N 3.33Å; M818-T820 PolarHBondContact O-N 3.46Å; T820-L822 PolarHBondContact O-N 3.32Å; T820-S823 PolarHBondContact O-N 3.47Å; T820-L824 HydrophobicContact CG2-CD1 4.13Å; T820-L824 WeakPolarHBondContact O-CG 3.48Å; T820-L824 PolarHBondContact O-N 3.09Å; T820-I836 HydrophobicContact CG2-CD1 3.84Å; T820-I836 HydrophobicContact CG2-CG1 3.99Å; T820-I836 HydrophobicContact CG2-CG2 4.01Å |
| 821 | A | 95.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -63.1 | -40.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | T817 M818 L824 I825 V831 I836 I861 | T817-A821 WeakPolarHBondContact O-CB 3.04Å; T817-A821 PolarHBondContact O-N 3.48Å; M818-A821 PolarHBondContact O-N 2.64Å; A821-L824 PolarHBondContact O-N 2.83Å; A821-I825 VanDerWaalsContact O-CG1 3.27Å; A821-I825 WeakPolarHBondContact O-CG1 3.49Å; A821-I825 PolarHBondContact O-N 2.98Å; A821-V831 HydrophobicContact CB-CG1 3.66Å; A821-I836 HydrophobicContact CB-CD1 4.46Å; A821-I861 HydrophobicContact CB-CD1 3.33Å; A821-I861 HydrophobicContact CB-CG1 3.51Å; A821-I861 HydrophobicContact CB-CG2 4.29Å |
| 822 | L | 94.6 | Very high | 94.4 | Very high | 12 Ų | 12 | 20.8 Ų | 20.8 | 6% | 0.063 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.2 | -45.8 | 174.7 | -69.9 | 175 | 0 | 0 | 0 | 111.9 | I788 M818 E819 T820 L824 I825 D826 V864 | I788-L822 HydrophobicContact CG2-CD1 3.57Å; M818-L822 HydrophobicContact CE-CD1 4.19Å; M818-L822 HydrophobicContact CE-CD2 3.69Å; M818-L822 HydrophobicContact CE-CG 3.79Å; M818-L822 HydrophobicContact CG-CD1 4.38Å; M818-L822 VanDerWaalsContact O-CG 3.32Å; M818-L822 WeakPolarHBondContact O-CG 3.35Å; M818-L822 PolarHBondContact O-N 3.39Å; E819-L822 PolarHBondContact O-N 3.31Å; T820-L822 PolarHBondContact O-N 3.32Å; L822-L824 VanDerWaalsContact C-N 3.3Å; L822-L824 PolarHBondContact O-N 3.37Å; L822-I825 PolarHBondContact O-N 2.93Å; L822-D826 WeakPolarHBondContact O-CB 3.32Å; L822-D826 VanDerWaalsContact O-CG 3.32Å; L822-D826 PolarHBondContact O-N 3.08Å; L822-V864 HydrophobicContact CD2-CB 4.16Å; L822-V864 HydrophobicContact CD2-CG1 3.58Å; L822-V864 HydrophobicContact CD2-CG2 4.37Å |
| 823 | S | 92.3 | Very high | 94.3 | Very high | 18 Ų | 18 | 21 Ų | 21 | 13% | 0.126 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63.5 | -33.5 | 176.4 | -68.4 | 0 | 0 | 0 | 0 | 113 | E819 T820 A827 | E819-S823 PolarHBondContact O-N 3.1Å; E819-S823 PolarHBondContact O-OG 3.29Å; T820-S823 PolarHBondContact O-N 3.47Å; S823-A827 WeakPolarHBondContact O-CB 3.34Å; S823-A827 PolarHBondContact O-N 3.21Å; S823-A827 VanDerWaalsContact O-N 3.12Å |
| 824 | L | 92.6 | Very high | 94.1 | Very high | 10 Ų | 10 | 22.6 Ų | 22.6 | 5% | 0.052 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -70.3 | -42.4 | 173 | -74 | 169 | 0 | 0 | 0 | 112.1 | P668 T820 A821 L822 A827 G828 R829 V831 I836 | P668-L824 HydrophobicContact CB-CD2 4.25Å; P668-L824 HydrophobicContact CG-CD1 4.43Å; P668-L824 HydrophobicContact CG-CD2 4.13Å; T820-L824 HydrophobicContact CG2-CD1 4.13Å; T820-L824 WeakPolarHBondContact O-CG 3.48Å; T820-L824 PolarHBondContact O-N 3.09Å; A821-L824 PolarHBondContact O-N 2.83Å; L822-L824 VanDerWaalsContact C-N 3.3Å; L822-L824 PolarHBondContact O-N 3.37Å; L824-A827 CarbonylContact O-C 3.6Å; L824-A827 PolarHBondContact O-N 2.99Å; L824-A827 VanDerWaalsContact O-N 3.16Å; L824-G828 PolarHBondContact O-N 3.17Å; L824-G828 VanDerWaalsContact O-N 3.09Å; L824-R829 HydrophobicContact CB-CB 4.36Å; L824-R829 HydrophobicContact CD2-CB 3.7Å; L824-R829 HydrophobicContact CD2-CG 4.33Å; L824-R829 PolarHBondContact O-N 3.29Å; L824-V831 HydrophobicContact CB-CG2 3.74Å; L824-V831 HydrophobicContact CD1-CG2 4.35Å; L824-I836 HydrophobicContact CD1-CD1 4.23Å |
| 825 | I | 93.4 | Very high | 93.9 | Very high | 12 Ų | 12 | 26.4 Ų | 26.4 | 6% | 0.062 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.6 | -43.5 | 174 | -67.4 | 166.1 | 0 | 0 | 0 | 110.7 | L593 A821 L822 A827 G828 V831 I861 K868 | L593-I825 HydrophobicContact CD1-CG1 3.99Å; L593-I825 HydrophobicContact CD2-CB 4.44Å; L593-I825 HydrophobicContact CD2-CG1 4.45Å; L593-I825 HydrophobicContact CD2-CG2 4.17Å; A821-I825 VanDerWaalsContact O-CG1 3.27Å; A821-I825 WeakPolarHBondContact O-CG1 3.49Å; A821-I825 PolarHBondContact O-N 2.98Å; L822-I825 PolarHBondContact O-N 2.93Å; I825-A827 PolarHBondContact O-N 2.92Å; I825-G828 PolarHBondContact O-N 3.46Å; I825-G828 VanDerWaalsContact O-N 3.11Å; I825-V831 HydrophobicContact CG1-CG2 3.95Å; I825-I861 HydrophobicContact CD1-CG2 4.23Å; I825-K868 HydrophobicContact CG2-CD 3.79Å |
| 826 | D | 90.7 | Very high | 93.8 | Very high | 83 Ų | 83 | 26.9 Ų | 26.9 | 44% | 0.444 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -62.9 | -30 | 175.7 | -72.2 | -37.2 | 0 | 0 | 0 | 112.6 | R792 L822 K868 | R792-D826 IonicContact CZ-OD2 3.86Å; R792-D826 IonicContact NH1-OD2 2.71Å; R792-D826 PolarHBondContact NH1-OD2 3.04Å; R792-D826 IonicContact NH2-OD2 3.53Å; R792-D826 PolarHBondContact NH2-OD2 3.45Å; L822-D826 WeakPolarHBondContact O-CB 3.32Å; L822-D826 VanDerWaalsContact O-CG 3.32Å; L822-D826 PolarHBondContact O-N 3.08Å; D826-K868 IonicContact OD1-NZ 3.8Å; D826-K868 PolarHBondContact OD1-NZ 2.62Å |
| 827 | A | 88.9 | Confident | 93.8 | Very high | 47 Ų | 47 | 26.9 Ų | 26.9 | 39% | 0.388 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 5.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | V673 S823 L824 I825 R829 | V673-A827 HydrophobicContact CG2-CB 4.49Å; S823-A827 WeakPolarHBondContact O-CB 3.34Å; S823-A827 PolarHBondContact O-N 3.21Å; S823-A827 VanDerWaalsContact O-N 3.12Å; L824-A827 CarbonylContact O-C 3.6Å; L824-A827 PolarHBondContact O-N 2.99Å; L824-A827 VanDerWaalsContact O-N 3.16Å; I825-A827 PolarHBondContact O-N 2.92Å; A827-R829 HydrophobicContact CB-CG 3.99Å; A827-R829 PolarHBondContact O-N 2.98Å |
| 828 | G | 89.1 | Confident | 93.7 | Very high | 47 Ų | 47 | 30.8 Ų | 30.8 | 49% | 0.485 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.3 | 19.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | L824 I825 | L824-G828 PolarHBondContact O-N 3.17Å; L824-G828 VanDerWaalsContact O-N 3.09Å; I825-G828 PolarHBondContact O-N 3.46Å; I825-G828 VanDerWaalsContact O-N 3.11Å |
| 829 | R | 90.3 | Very high | 93.7 | Very high | 107 Ų | 107 | 33.6 Ų | 33.6 | 40% | 0.404 | 19% | 0.187 | S | C | . | . | trans | -94 | 148.2 | -175.8 | -63.3 | -50.7 | -158.2 | 172.6 | 9 | 111.7 | L593 E670 L824 A827 | L593-R829 WeakPolarHBondContact CD1-O 3.33Å; E670-R829 PolarHBondContact O-NH2 3.42Å; L824-R829 HydrophobicContact CB-CB 4.36Å; L824-R829 HydrophobicContact CD2-CB 3.7Å; L824-R829 HydrophobicContact CD2-CG 4.33Å; L824-R829 PolarHBondContact O-N 3.29Å; A827-R829 HydrophobicContact CB-CG 3.99Å; A827-R829 PolarHBondContact O-N 2.98Å | ||
| 830 | P | 91.9 | Very high | 93.8 | Very high | 32 Ų | 32 | 33.5 Ų | 33.5 | 21% | 0.208 | 19% | 0.187 | C | C | . | . | trans | -62.2 | 147.6 | 176.8 | 26.6 | -35 | 0 | 0 | 0 | 112.5 | S596 F832 | S596-P830 WeakPolarHBondContact OG-CA 3.45Å; P830-F832 HydrophobicContact CB-CE2 3.79Å; P830-F832 HydrophobicContact CB-CZ 3.91Å; P830-F832 HydrophobicContact CG-CE2 4.17Å | ||
| 831 | V | 93.9 | Very high | 93.9 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.006 | 19% | 0.188 | C | C | . | . | trans | -120.7 | 122 | -175.9 | -176.7 | 0 | 0 | 0 | 0 | 110.6 | L593 S596 M597 A821 L824 I825 P833 I836 I861 | L593-V831 HydrophobicContact CD1-CG2 4.06Å; S596-V831 PolarHBondContact OG-N 2.71Å; S596-V831 VanDerWaalsContact OG-N 3.08Å; M597-V831 HydrophobicContact CE-CB 3.69Å; M597-V831 HydrophobicContact CE-CG1 4.42Å; M597-V831 HydrophobicContact CE-CG2 4.18Å; A821-V831 HydrophobicContact CB-CG1 3.66Å; L824-V831 HydrophobicContact CB-CG2 3.74Å; L824-V831 HydrophobicContact CD1-CG2 4.35Å; I825-V831 HydrophobicContact CG1-CG2 3.95Å; V831-P833 HydrophobicContact CG1-CG 4.46Å; V831-I836 HydrophobicContact CG1-CD1 4.04Å; V831-I861 HydrophobicContact CG1-CD1 4.47Å; V831-I861 HydrophobicContact CG1-CG2 4.25Å | ||
| 832 | F | 94.3 | Very high | 94 | Very high | 66 Ų | 66 | 35.5 Ų | 35.5 | 29% | 0.289 | 20% | 0.197 | S | C | . | . | trans | -122.8 | 95.8 | 176.5 | -55.9 | -68 | 0 | 0 | 0 | 109.9 | V590 P830 L834 D835 I836 | V590-F832 HydrophobicContact CB-CZ 4.03Å; V590-F832 HydrophobicContact CG1-CE1 4.31Å; V590-F832 HydrophobicContact CG1-CZ 3.84Å; P830-F832 HydrophobicContact CB-CE2 3.79Å; P830-F832 HydrophobicContact CB-CZ 3.91Å; P830-F832 HydrophobicContact CG-CE2 4.17Å; F832-L834 PolarHBondContact O-N 3.35Å; F832-L834 VanDerWaalsContact O-N 3.17Å; F832-D835 HydrophobicContact CB-CB 4.27Å; F832-D835 PolarHBondContact O-N 2.94Å; F832-D835 VanDerWaalsContact O-N 3.08Å; F832-I836 PolarHBondContact O-N 3.27Å; F832-I836 VanDerWaalsContact O-N 3.14Å | ||
| 833 | P | 95.5 | Very high | 94.2 | Very high | 4 Ų | 4 | 36.7 Ų | 36.7 | 3% | 0.026 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.5 | -30.9 | -174.7 | -28.8 | 37.6 | 0 | 0 | 0 | 114.2 | L600 V831 V837 F854 I861 | L600-P833 HydrophobicContact CD1-CG 3.97Å; V831-P833 HydrophobicContact CG1-CG 4.46Å; P833-V837 WeakPolarHBondContact O-CG2 3.39Å; P833-V837 PolarHBondContact O-N 3.47Å; P833-F854 HydrophobicContact CB-CE2 3.77Å; P833-F854 HydrophobicContact CB-CZ 3.93Å; P833-I861 HydrophobicContact CG-CD1 3.95Å |
| 834 | L | 92.9 | Very high | 94.5 | Very high | 33 Ų | 33 | 35.9 Ų | 35.9 | 17% | 0.173 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.1 | -46.3 | 174.4 | -71.9 | 171.9 | 0 | 0 | 0 | 112.2 | L609 H612 F613 F832 V837 K838 F854 | L609-L834 HydrophobicContact CD2-CD1 3.6Å; L609-L834 HydrophobicContact CD2-CG 4.11Å; H612-L834 HydrophobicContact CB-CD1 3.59Å; H612-L834 HydrophobicContact CB-CD2 4.16Å; F613-L834 HydrophobicContact CB-CD2 3.89Å; F832-L834 PolarHBondContact O-N 3.35Å; F832-L834 VanDerWaalsContact O-N 3.17Å; L834-V837 PolarHBondContact O-N 2.87Å; L834-K838 VanDerWaalsContact O-CB 3.26Å; L834-K838 WeakPolarHBondContact O-CB 3.46Å; L834-K838 PolarHBondContact O-N 3.27Å; L834-F854 HydrophobicContact CD2-CE1 3.87Å; L834-F854 HydrophobicContact CD2-CE2 4.27Å; L834-F854 HydrophobicContact CD2-CZ 3.51Å; L834-F854 HydrophobicContact CG-CE1 4.42Å; L834-F854 HydrophobicContact CG-CZ 3.8Å |
| 835 | D | 93.8 | Very high | 94.6 | Very high | 81 Ų | 81 | 35.8 Ų | 35.8 | 43% | 0.433 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -72.6 | -31 | -179.2 | -69.1 | -61 | 0 | 0 | 0 | 112.2 | F832 T839 | F832-D835 HydrophobicContact CB-CB 4.27Å; F832-D835 PolarHBondContact O-N 2.94Å; F832-D835 VanDerWaalsContact O-N 3.08Å; D835-T839 WeakPolarHBondContact O-CB 3.44Å; D835-T839 PolarHBondContact O-N 3.21Å; D835-T839 PolarHBondContact O-OG1 2.91Å |
| 836 | I | 96.1 | Very high | 94.7 | Very high | 11 Ų | 11 | 37.2 Ų | 37.2 | 6% | 0.056 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.2 | -54.2 | 169.1 | -61.2 | 167.7 | 0 | 0 | 0 | 109.3 | T817 T820 A821 L824 V831 F832 K838 T839 L840 | T817-I836 HydrophobicContact CG2-CB 4.34Å; T817-I836 HydrophobicContact CG2-CG2 3.95Å; T820-I836 HydrophobicContact CG2-CD1 3.84Å; T820-I836 HydrophobicContact CG2-CG1 3.99Å; T820-I836 HydrophobicContact CG2-CG2 4.01Å; A821-I836 HydrophobicContact CB-CD1 4.46Å; L824-I836 HydrophobicContact CD1-CD1 4.23Å; V831-I836 HydrophobicContact CG1-CD1 4.04Å; F832-I836 PolarHBondContact O-N 3.27Å; F832-I836 VanDerWaalsContact O-N 3.14Å; I836-K838 VanDerWaalsContact C-N 3.31Å; I836-K838 PolarHBondContact O-N 3.45Å; I836-T839 WeakPolarHBondContact O-CB 3.44Å; I836-T839 PolarHBondContact O-N 3.21Å; I836-T839 VanDerWaalsContact O-N 3.08Å; I836-L840 HydrophobicContact CG2-CD1 4.47Å; I836-L840 WeakPolarHBondContact O-CG 3.29Å; I836-L840 PolarHBondContact O-N 3.32Å |
| 837 | V | 97.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.1 | -38.9 | 178.8 | 171.5 | 0 | 0 | 0 | 0 | 112.1 | F613 L616 T817 P833 L834 L840 R841 V848 F854 | F613-V837 HydrophobicContact CD2-CG1 4.43Å; F613-V837 HydrophobicContact CE2-CG1 4.16Å; L616-V837 HydrophobicContact CD2-CB 4.37Å; L616-V837 HydrophobicContact CD2-CG1 3.9Å; T817-V837 HydrophobicContact CG2-CG2 4.28Å; P833-V837 WeakPolarHBondContact O-CG2 3.39Å; P833-V837 PolarHBondContact O-N 3.47Å; L834-V837 PolarHBondContact O-N 2.87Å; V837-L840 WeakPolarHBondContact O-CB 3.43Å; V837-L840 PolarHBondContact O-N 2.76Å; V837-R841 HydrophobicContact CG1-CG 4.31Å; V837-R841 WeakPolarHBondContact O-CG 3.2Å; V837-R841 PolarHBondContact O-N 3.05Å; V837-V848 HydrophobicContact CG1-CB 4.24Å; V837-V848 HydrophobicContact CG1-CG2 4.45Å; V837-V848 HydrophobicContact CG2-CB 4.25Å; V837-V848 HydrophobicContact CG2-CG2 3.77Å; V837-F854 HydrophobicContact CG2-CD2 4.02Å; V837-F854 HydrophobicContact CG2-CE2 3.98Å |
| 838 | K | 96.3 | Very high | 95.4 | Very high | 82 Ų | 82 | 31 Ų | 31 | 36% | 0.357 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -59.1 | -47.5 | 172.7 | -178.9 | -176.6 | 172.4 | -171.4 | 0 | 111.7 | L616 Y617 L834 I836 L840 R841 D842 | L616-K838 HydrophobicContact CD1-CB 4.07Å; L616-K838 HydrophobicContact CD1-CD 4.45Å; L616-K838 HydrophobicContact CD1-CG 4.1Å; L616-K838 HydrophobicContact CD2-CB 4.21Å; Y617-K838 HydrophobicContact CE1-CG 4.46Å; Y617-K838 WeakPolarHBondContact OH-CG 3.45Å; L834-K838 VanDerWaalsContact O-CB 3.26Å; L834-K838 WeakPolarHBondContact O-CB 3.46Å; L834-K838 PolarHBondContact O-N 3.27Å; I836-K838 VanDerWaalsContact C-N 3.31Å; I836-K838 PolarHBondContact O-N 3.45Å; K838-L840 PolarHBondContact O-N 3.48Å; K838-R841 PolarHBondContact O-N 3.44Å; K838-R841 VanDerWaalsContact O-N 3.14Å; K838-D842 PolarHBondContact O-N 3.14Å |
| 839 | T | 96.4 | Very high | 95.3 | Very high | 58 Ų | 58 | 32.9 Ų | 32.9 | 36% | 0.356 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -61.1 | -32.2 | 176.2 | -56.7 | 0 | 0 | 0 | 0 | 112.3 | D835 I836 Q843 | D835-T839 WeakPolarHBondContact O-CB 3.44Å; D835-T839 PolarHBondContact O-N 3.21Å; D835-T839 PolarHBondContact O-OG1 2.91Å; I836-T839 WeakPolarHBondContact O-CB 3.44Å; I836-T839 PolarHBondContact O-N 3.21Å; I836-T839 VanDerWaalsContact O-N 3.08Å; T839-Q843 PolarHBondContact O-NE2 3.42Å |
| 840 | L | 98.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -73.2 | -45.1 | 172 | -58.9 | 177.1 | 0 | 0 | 0 | 112 | I664 V666 I816 T817 I836 V837 K838 D842 Q843 R844 M847 | I664-L840 HydrophobicContact CG2-CD2 3.55Å; V666-L840 HydrophobicContact CG2-CD2 3.7Å; I816-L840 HydrophobicContact CB-CD1 4.21Å; I816-L840 HydrophobicContact CB-CD2 4.39Å; I816-L840 HydrophobicContact CG2-CD1 4.01Å; I816-L840 HydrophobicContact CG2-CD2 3.49Å; I816-L840 VanDerWaalsContact CG2-CD2 3.49Å; I816-L840 HydrophobicContact CG2-CG 4.4Å; T817-L840 WeakPolarHBondContact OG1-CD1 3.25Å; I836-L840 HydrophobicContact CG2-CD1 4.47Å; I836-L840 WeakPolarHBondContact O-CG 3.29Å; I836-L840 PolarHBondContact O-N 3.32Å; V837-L840 WeakPolarHBondContact O-CB 3.43Å; V837-L840 PolarHBondContact O-N 2.76Å; K838-L840 PolarHBondContact O-N 3.48Å; L840-D842 PolarHBondContact O-N 2.87Å; L840-Q843 PolarHBondContact O-N 3.25Å; L840-R844 PolarHBondContact O-N 2.98Å; L840-M847 HydrophobicContact CB-CB 3.69Å; L840-M847 HydrophobicContact CB-CE 4.17Å; L840-M847 HydrophobicContact CB-CG 4.02Å; L840-M847 HydrophobicContact CD1-CE 4.13Å; L840-M847 HydrophobicContact CD2-CE 4.38Å; L840-M847 HydrophobicContact CG-CE 4.46Å |
| 841 | R | 97.9 | Very high | 95 | Very high | 5 Ų | 5 | 30.6 Ų | 30.6 | 2% | 0.019 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.8 | -23.1 | 179.9 | -72.3 | -172.1 | -175.8 | 171.8 | 3.4 | 113.8 | L616 Y617 Y645 V837 K838 Q843 R844 M847 V848 | L616-R841 PolarHBondContact O-NH1 2.86Å; Y617-R841 WeakPolarHBondContact O-CD 3.45Å; Y617-R841 PolarHBondContact O-NH1 2.78Å; Y617-R841 VanDerWaalsContact O-NH1 3.1Å; Y645-R841 WeakPolarHBondContact CE2-O 3.29Å; Y645-R841 PolarHBondContact OH-O 3.15Å; V837-R841 HydrophobicContact CG1-CG 4.31Å; V837-R841 WeakPolarHBondContact O-CG 3.2Å; V837-R841 PolarHBondContact O-N 3.05Å; K838-R841 PolarHBondContact O-N 3.44Å; K838-R841 VanDerWaalsContact O-N 3.14Å; R841-Q843 VanDerWaalsContact C-N 3.29Å; R841-R844 VanDerWaalsContact CA-O 3.32Å; R841-R844 WeakPolarHBondContact CA-O 3.39Å; R841-M847 HydrophobicContact CG-CB 4.1Å; R841-M847 PolarHBondContact NE-O 3.3Å; R841-V848 PolarHBondContact NH2-O 3.1Å |
| 842 | D | 97.8 | Very high | 94.7 | Very high | 36 Ų | 36 | 34 Ų | 34 | 19% | 0.193 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -20.6 | 169.5 | -86.6 | 19.4 | 0 | 0 | 0 | 113.7 | Y617 K620 L623 K838 L840 | Y617-D842 VanDerWaalsContact CE2-OD1 3.25Å; Y617-D842 WeakPolarHBondContact CE2-OD1 3.36Å; Y617-D842 VanDerWaalsContact CZ-OD1 3.31Å; Y617-D842 PolarHBondContact OH-OD1 3.09Å; K620-D842 HydrophobicContact CD-CB 4.15Å; K620-D842 WeakPolarHBondContact CD-OD1 3.39Å; K620-D842 VanDerWaalsContact CE-OD2 3.22Å; K620-D842 WeakPolarHBondContact CE-OD2 3.49Å; K620-D842 IonicContact NZ-OD1 3.48Å; K620-D842 IonicContact NZ-OD2 3.42Å; K620-D842 PolarHBondContact NZ-OD2 2.74Å; L623-D842 VanDerWaalsContact CD1-O 3.31Å; L623-D842 WeakPolarHBondContact CD1-O 3.23Å; K838-D842 PolarHBondContact O-N 3.14Å; L840-D842 PolarHBondContact O-N 2.87Å |
| 843 | Q | 98.3 | Very high | 94.6 | Very high | 38 Ų | 38 | 32 Ų | 32 | 18% | 0.178 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114 | -26 | -176.5 | -67.6 | 174.4 | 86.2 | 0 | 0 | 113.6 | Y645 T648 I664 T665 T839 L840 R841 | Y645-Q843 WeakPolarHBondContact CD2-O 3.11Å; T648-Q843 WeakPolarHBondContact CB-O 3.26Å; T648-Q843 PolarHBondContact OG1-O 3.04Å; I664-Q843 HydrophobicContact CG1-CB 4.15Å; T665-Q843 PolarHBondContact O-NE2 3.24Å; T665-Q843 PolarHBondContact O-OE1 3.46Å; T839-Q843 PolarHBondContact O-NE2 3.42Å; L840-Q843 PolarHBondContact O-N 3.25Å; R841-Q843 VanDerWaalsContact C-N 3.29Å |
| 844 | R | 98.3 | Very high | 94.5 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 0% | 0.004 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -146.6 | 126.3 | 167 | -174.2 | 171.9 | 174.6 | 78 | 2.1 | 109 | N660 S662 I664 A807 G808 I809 L840 R841 M847 | N660-R844 PolarHBondContact OD1-NH1 3.38Å; N660-R844 PolarHBondContact OD1-NH2 3.32Å; S662-R844 PolarHBondContact OG-NH1 3.28Å; S662-R844 VanDerWaalsContact OG-NH1 3.07Å; I664-R844 HydrophobicContact CD1-CB 3.96Å; A807-R844 PolarHBondContact O-NH2 3.16Å; G808-R844 PolarHBondContact O-NE 3.06Å; I809-R844 HydrophobicContact CG2-CG 4.08Å; L840-R844 PolarHBondContact O-N 2.98Å; R841-R844 VanDerWaalsContact CA-O 3.32Å; R841-R844 WeakPolarHBondContact CA-O 3.39Å; R844-M847 HydrophobicContact CB-CG 3.93Å; R844-M847 HydrophobicContact CB-SD 4.29Å; R844-M847 HydrophobicContact CG-CG 4.4Å; R844-M847 HydrophobicContact CG-SD 4.41Å; R844-M847 WeakPolarHBondContact O-CG 3.45Å |
| 845 | A | 96.3 | Very high | 94.5 | Very high | 7 Ų | 7 | 33.4 Ų | 33.4 | 6% | 0.058 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | 150.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | R619 Y645 I809 M847 | R619-A845 HydrophobicContact CB-CB 4.22Å; R619-A845 HydrophobicContact CG-CB 4.07Å; Y645-A845 HydrophobicContact CE1-CB 4.34Å; I809-A845 WeakPolarHBondContact CG2-O 3.14Å; A845-M847 PolarHBondContact O-N 2.92Å; A845-M847 VanDerWaalsContact O-N 3.12Å |
| 846 | M | 95.6 | Very high | 94.5 | Very high | 42 Ų | 42 | 30 Ų | 30 | 21% | 0.207 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.4 | 16.8 | 171.4 | -56.3 | -174.7 | -74.7 | 0 | 0 | 116.6 | K618 D641 V642 I809 V848 Q849 | K618-M846 HydrophobicContact CB-CG 4.16Å; K618-M846 WeakPolarHBondContact O-CA 3.36Å; K618-M846 PolarHBondContact O-N 2.87Å; D641-M846 WeakPolarHBondContact O-CE 3.42Å; V642-M846 HydrophobicContact CB-CE 4.35Å; V642-M846 HydrophobicContact CG2-CE 3.88Å; I809-M846 HydrophobicContact CD1-CB 3.7Å; I809-M846 HydrophobicContact CD1-CE 4.34Å; M846-V848 CarbonylContact O-C 3.58Å; M846-V848 PolarHBondContact O-N 2.93Å; M846-Q849 WeakPolarHBondContact O-CG 3.2Å |
| 847 | M | 97.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -54.6 | 129.3 | 169.6 | -70.4 | -71.6 | -73.8 | 0 | 0 | 111 | I664 I809 T812 G813 I816 L840 R841 R844 A845 | I664-M847 HydrophobicContact CD1-CE 3.63Å; I664-M847 HydrophobicContact CD1-SD 4.18Å; I809-M847 HydrophobicContact CB-SD 4.36Å; I809-M847 HydrophobicContact CG2-SD 4.19Å; I809-M847 WeakPolarHBondContact O-CA 3.45Å; T812-M847 HydrophobicContact CG2-CE 4.3Å; G813-M847 VanDerWaalsContact CA-CE 3.43Å; I816-M847 HydrophobicContact CD1-CE 3.95Å; L840-M847 HydrophobicContact CB-CB 3.69Å; L840-M847 HydrophobicContact CB-CE 4.17Å; L840-M847 HydrophobicContact CB-CG 4.02Å; L840-M847 HydrophobicContact CD1-CE 4.13Å; L840-M847 HydrophobicContact CD2-CE 4.38Å; L840-M847 HydrophobicContact CG-CE 4.46Å; R841-M847 HydrophobicContact CG-CB 4.1Å; R841-M847 PolarHBondContact NE-O 3.3Å; R844-M847 HydrophobicContact CB-CG 3.93Å; R844-M847 HydrophobicContact CB-SD 4.29Å; R844-M847 HydrophobicContact CG-CG 4.4Å; R844-M847 HydrophobicContact CG-SD 4.41Å; R844-M847 WeakPolarHBondContact O-CG 3.45Å; A845-M847 PolarHBondContact O-N 2.92Å; A845-M847 VanDerWaalsContact O-N 3.12Å |
| 848 | V | 96.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | S | Bend | trans | 55.9 | 105.1 | -161.7 | -171.4 | 0 | 0 | 0 | 0 | 111.3 | F613 I809 V814 V837 R841 M846 Q853 F854 | F613-V848 HydrophobicContact CE2-CB 4.03Å; F613-V848 HydrophobicContact CE2-CG1 3.65Å; F613-V848 HydrophobicContact CZ-CB 4.39Å; F613-V848 HydrophobicContact CZ-CG1 3.81Å; F613-V848 WeakPolarHBondContact CZ-O 3.16Å; I809-V848 PolarHBondContact O-N 3.12Å; I809-V848 VanDerWaalsContact O-N 3.07Å; V814-V848 HydrophobicContact CG2-CG1 4.2Å; V814-V848 HydrophobicContact CG2-CG2 4.18Å; V837-V848 HydrophobicContact CG1-CB 4.24Å; V837-V848 HydrophobicContact CG1-CG2 4.45Å; V837-V848 HydrophobicContact CG2-CB 4.25Å; V837-V848 HydrophobicContact CG2-CG2 3.77Å; R841-V848 PolarHBondContact NH2-O 3.1Å; M846-V848 CarbonylContact O-C 3.58Å; M846-V848 PolarHBondContact O-N 2.93Å; V848-Q853 HydrophobicContact CG1-CB 3.9Å; V848-F854 HydrophobicContact CG1-CB 4.04Å |
| 849 | Q | 87.6 | Confident | 94.4 | Very high | 87 Ų | 87 | 30.4 Ų | 30.4 | 41% | 0.407 | 16% | 0.162 | S | C | . | . | trans | -91 | -33.2 | -164.2 | -76.1 | 178.1 | -90.6 | 0 | 0 | 114.8 | I809 M846 | I809-Q849 HydrophobicContact CB-CG 4.48Å; I809-Q849 VanDerWaalsContact CD1-CD 3.46Å; I809-Q849 HydrophobicContact CD1-CG 3.71Å; I809-Q849 HydrophobicContact CG1-CG 3.96Å; M846-Q849 WeakPolarHBondContact O-CG 3.2Å | ||
| 850 | T | 88.6 | Confident | 94.3 | Very high | 65 Ų | 65 | 27.7 Ų | 27.7 | 40% | 0.399 | 15% | 0.146 | S | C | . | . | S | Bend | trans | -126.8 | 156 | -172.8 | 66.4 | 0 | 0 | 0 | 0 | 112 | C852 Q853 F854 | T850-C852 VanDerWaalsContact C-N 3.28Å; T850-C852 PolarHBondContact O-N 3.03Å; T850-Q853 WeakPolarHBondContact O-CB 3.35Å; T850-Q853 PolarHBondContact O-N 3.17Å; T850-Q853 VanDerWaalsContact O-N 3.16Å; T850-Q853 WeakPolarHBondContact OG1-CG 3.45Å; T850-Q853 PolarHBondContact OG1-N 3.01Å; T850-F854 PolarHBondContact O-N 3.22Å |
| 851 | T | 86.9 | Confident | 94.3 | Very high | 26 Ų | 26 | 27.7 Ų | 27.7 | 16% | 0.16 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.6 | -38.9 | 178.5 | -44.4 | 0 | 0 | 0 | 0 | 111.3 | F613 E614 Q853 F854 Q855 | F613-T851 HydrophobicContact CD1-CG2 4.4Å; E614-T851 HydrophobicContact CG-CG2 4.41Å; E614-T851 WeakPolarHBondContact CG-OG1 3.14Å; E614-T851 WeakPolarHBondContact OE1-CG2 3.06Å; E614-T851 PolarHBondContact OE1-OG1 3.09Å; T851-Q853 PolarHBondContact O-N 3.26Å; T851-F854 CarbonylContact O-C 3.52Å; T851-F854 WeakPolarHBondContact O-CA 3.44Å; T851-F854 WeakPolarHBondContact O-CB 3.23Å; T851-F854 PolarHBondContact O-N 3.17Å; T851-Q855 HydrophobicContact CG2-CG 4.44Å; T851-Q855 WeakPolarHBondContact O-CG 3.27Å; T851-Q855 PolarHBondContact O-N 3.35Å |
| 852 | C | 87.8 | Confident | 94.2 | Very high | 73 Ų | 73 | 28.3 Ų | 28.3 | 49% | 0.493 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -61.5 | -39.5 | 175.2 | -44.4 | 0 | 0 | 0 | 0 | 112.9 | T850 F854 Q855 F856 | T850-C852 VanDerWaalsContact C-N 3.28Å; T850-C852 PolarHBondContact O-N 3.03Å; C852-F854 PolarHBondContact O-N 2.65Å; C852-Q855 PolarHBondContact O-N 3.37Å; C852-F856 VanDerWaalsContact O-CB 3.3Å; C852-F856 WeakPolarHBondContact O-CB 3.47Å; C852-F856 PolarHBondContact O-N 3.47Å |
| 853 | Q | 90.6 | Very high | 94 | Very high | 22 Ų | 22 | 30.3 Ų | 30.3 | 10% | 0.103 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.2 | -31.8 | 173.7 | -79.5 | 173.9 | 8.2 | 0 | 0 | 112.3 | V777 G810 V814 V848 T850 T851 | V777-Q853 HydrophobicContact CG1-CG 4.08Å; G810-Q853 VanDerWaalsContact CA-OE1 3.23Å; V814-Q853 HydrophobicContact CG2-CB 3.68Å; V814-Q853 HydrophobicContact CG2-CG 4.13Å; V814-Q853 WeakPolarHBondContact CG2-O 3.39Å; V848-Q853 HydrophobicContact CG1-CB 3.9Å; T850-Q853 WeakPolarHBondContact O-CB 3.35Å; T850-Q853 PolarHBondContact O-N 3.17Å; T850-Q853 VanDerWaalsContact O-N 3.16Å; T850-Q853 WeakPolarHBondContact OG1-CG 3.45Å; T850-Q853 PolarHBondContact OG1-N 3.01Å; T851-Q853 PolarHBondContact O-N 3.26Å |
| 854 | F | 94.4 | Very high | 93.8 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 0% | 0.004 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -80.1 | -40.2 | 177.3 | -174.8 | -109.4 | 0 | 0 | 0 | 113.1 | L609 F613 P833 L834 V837 V848 T850 T851 C852 V857 C858 | L609-F854 HydrophobicContact CB-CE1 4.21Å; L609-F854 WeakPolarHBondContact O-CE1 3.3Å; F613-F854 HydrophobicContact CB-CD1 3.46Å; F613-F854 VanDerWaalsContact CB-CD1 3.46Å; F613-F854 HydrophobicContact CB-CE1 3.67Å; F613-F854 HydrophobicContact CB-CG 3.97Å; F613-F854 HydrophobicContact CB-CZ 4.34Å; F613-F854 HydrophobicContact CD1-CB 4.05Å; F613-F854 HydrophobicContact CD1-CD1 4.37Å; F613-F854 HydrophobicContact CD1-CG 4.3Å; F613-F854 HydrophobicContact CD2-CB 3.63Å; F613-F854 AromaticContact CD2-CD1 3.79Å; F613-F854 HydrophobicContact CD2-CD1 3.79Å; F613-F854 AromaticContact CD2-CD2 3.49Å; F613-F854 HydrophobicContact CD2-CD2 3.49Å; F613-F854 VanDerWaalsContact CD2-CD2 3.49Å; F613-F854 HydrophobicContact CD2-CE1 4.34Å; F613-F854 HydrophobicContact CD2-CE2 4.08Å; F613-F854 AromaticContact CD2-CG 3.32Å; F613-F854 HydrophobicContact CD2-CG 3.32Å; F613-F854 HydrophobicContact CD2-CZ 4.48Å; F613-F854 HydrophobicContact CE1-CB 4.1Å; F613-F854 HydrophobicContact CE2-CB 3.65Å; F613-F854 AromaticContact CE2-CD2 3.91Å; F613-F854 HydrophobicContact CE2-CD2 3.91Å; F613-F854 AromaticContact CE2-CG 3.82Å; F613-F854 HydrophobicContact CE2-CG 3.82Å; F613-F854 HydrophobicContact CG-CB 3.82Å; F613-F854 AromaticContact CG-CD1 3.61Å; F613-F854 HydrophobicContact CG-CD1 3.61Å; F613-F854 HydrophobicContact CG-CD2 4.2Å; F613-F854 HydrophobicContact CG-CE1 4.23Å; F613-F854 AromaticContact CG-CG 3.59Å; F613-F854 HydrophobicContact CG-CG 3.59Å; F613-F854 HydrophobicContact CZ-CB 3.9Å; P833-F854 HydrophobicContact CB-CE2 3.77Å; P833-F854 HydrophobicContact CB-CZ 3.93Å; L834-F854 HydrophobicContact CD2-CE1 3.87Å; L834-F854 HydrophobicContact CD2-CE2 4.27Å; L834-F854 HydrophobicContact CD2-CZ 3.51Å; L834-F854 HydrophobicContact CG-CE1 4.42Å; L834-F854 HydrophobicContact CG-CZ 3.8Å; V837-F854 HydrophobicContact CG2-CD2 4.02Å; V837-F854 HydrophobicContact CG2-CE2 3.98Å; V848-F854 HydrophobicContact CG1-CB 4.04Å; T850-F854 PolarHBondContact O-N 3.22Å; T851-F854 CarbonylContact O-C 3.52Å; T851-F854 WeakPolarHBondContact O-CA 3.44Å; T851-F854 WeakPolarHBondContact O-CB 3.23Å; T851-F854 PolarHBondContact O-N 3.17Å; C852-F854 PolarHBondContact O-N 2.65Å; F854-V857 HydrophobicContact CD2-CG1 4.42Å; F854-V857 WeakPolarHBondContact O-CG1 3.49Å; F854-V857 PolarHBondContact O-N 3.28Å; F854-C858 WeakPolarHBondContact O-CB 3.37Å; F854-C858 PolarHBondContact O-N 3.03Å; F854-C858 VanDerWaalsContact O-N 3.08Å; F854-C858 PolarHBondContact O-SG 2.79Å |
| 855 | Q | 92.1 | Very high | 93.6 | Very high | 66 Ų | 66 | 30.7 Ų | 30.7 | 31% | 0.308 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -59.9 | -51.8 | 174 | -72.6 | 163.2 | -25.9 | 0 | 0 | 110.8 | S610 T851 C852 V857 C858 E859 | S610-Q855 PolarHBondContact OG-NE2 3.01Å; T851-Q855 HydrophobicContact CG2-CG 4.44Å; T851-Q855 WeakPolarHBondContact O-CG 3.27Å; T851-Q855 PolarHBondContact O-N 3.35Å; C852-Q855 PolarHBondContact O-N 3.37Å; Q855-V857 VanDerWaalsContact C-N 3.34Å; Q855-V857 PolarHBondContact O-N 2.63Å; Q855-C858 WeakPolarHBondContact O-CB 3.15Å; Q855-C858 PolarHBondContact O-N 2.81Å; Q855-E859 WeakPolarHBondContact O-CG 3.46Å; Q855-E859 PolarHBondContact O-N 3.08Å |
| 856 | F | 94.5 | Very high | 93.4 | Very high | 11 Ų | 11 | 34.1 Ų | 34.1 | 5% | 0.048 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -52.1 | -45.9 | 176.7 | 172.4 | -102.7 | 0 | 0 | 0 | 113.7 | V777 P778 P781 F784 V814 C852 E859 A860 | V777-F856 HydrophobicContact CB-CB 3.85Å; V777-F856 HydrophobicContact CB-CD1 4.24Å; V777-F856 HydrophobicContact CB-CD2 3.8Å; V777-F856 HydrophobicContact CB-CE2 4.41Å; V777-F856 HydrophobicContact CB-CG 3.7Å; V777-F856 HydrophobicContact CG1-CB 3.7Å; V777-F856 HydrophobicContact CG1-CD1 4.2Å; V777-F856 HydrophobicContact CG1-CG 3.9Å; V777-F856 HydrophobicContact CG2-CB 3.96Å; V777-F856 HydrophobicContact CG2-CD2 4.03Å; V777-F856 HydrophobicContact CG2-CG 4.15Å; P778-F856 HydrophobicContact CB-CE2 4.17Å; P778-F856 HydrophobicContact CB-CZ 4.29Å; P778-F856 HydrophobicContact CG-CE2 4.34Å; P778-F856 HydrophobicContact CG-CZ 4.03Å; P778-F856 WeakPolarHBondContact O-CE2 3.3Å; P781-F856 HydrophobicContact CB-CE2 3.82Å; P781-F856 HydrophobicContact CB-CZ 3.99Å; F784-F856 HydrophobicContact CB-CZ 4.23Å; F784-F856 AromaticContact CD1-CE1 3.61Å; F784-F856 HydrophobicContact CD1-CE1 3.61Å; F784-F856 AromaticContact CD1-CZ 3.64Å; F784-F856 HydrophobicContact CD1-CZ 3.64Å; F784-F856 AromaticContact CE1-CE1 3.63Å; F784-F856 HydrophobicContact CE1-CE1 3.63Å; F784-F856 HydrophobicContact CE1-CZ 4.15Å; F784-F856 HydrophobicContact CG-CE1 4.13Å; F784-F856 HydrophobicContact CG-CZ 4Å; F784-F856 HydrophobicContact CZ-CE1 4.17Å; V814-F856 HydrophobicContact CG1-CD1 4Å; V814-F856 HydrophobicContact CG1-CE1 4.14Å; C852-F856 VanDerWaalsContact O-CB 3.3Å; C852-F856 WeakPolarHBondContact O-CB 3.47Å; C852-F856 PolarHBondContact O-N 3.47Å; F856-E859 PolarHBondContact O-N 2.86Å; F856-A860 VanDerWaalsContact O-CB 3.26Å; F856-A860 WeakPolarHBondContact O-CB 3.48Å; F856-A860 PolarHBondContact O-N 2.87Å |
| 857 | V | 96.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -72.5 | -35.2 | 179.7 | 72.4 | 0 | 0 | 0 | 0 | 111.9 | V814 T817 M818 F854 Q855 I861 | V814-V857 HydrophobicContact CG1-CB 4.25Å; T817-V857 HydrophobicContact CG2-CG1 4.03Å; T817-V857 HydrophobicContact CG2-CG2 3.95Å; M818-V857 HydrophobicContact CB-CG2 3.84Å; M818-V857 HydrophobicContact SD-CG2 4Å; F854-V857 HydrophobicContact CD2-CG1 4.42Å; F854-V857 WeakPolarHBondContact O-CG1 3.49Å; F854-V857 PolarHBondContact O-N 3.28Å; Q855-V857 VanDerWaalsContact C-N 3.34Å; Q855-V857 PolarHBondContact O-N 2.63Å; V857-I861 HydrophobicContact CG2-CD1 4.06Å; V857-I861 HydrophobicContact CG2-CG1 4.43Å; V857-I861 WeakPolarHBondContact O-CB 3.36Å; V857-I861 VanDerWaalsContact O-CD1 3.31Å; V857-I861 WeakPolarHBondContact O-CD1 3.17Å; V857-I861 WeakPolarHBondContact O-CG1 3.4Å; V857-I861 PolarHBondContact O-N 3.03Å |
| 858 | C | 96.1 | Very high | 92.6 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.007 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.2 | -43.8 | 172.1 | -71.1 | 0 | 0 | 0 | 0 | 112.1 | L600 I604 F854 Q855 L862 | L600-C858 HydrophobicContact CD1-CB 3.79Å; I604-C858 HydrophobicContact CD1-CB 3.95Å; I604-C858 HydrophobicContact CG1-CB 4.06Å; F854-C858 WeakPolarHBondContact O-CB 3.37Å; F854-C858 PolarHBondContact O-N 3.03Å; F854-C858 VanDerWaalsContact O-N 3.08Å; F854-C858 PolarHBondContact O-SG 2.79Å; Q855-C858 WeakPolarHBondContact O-CB 3.15Å; Q855-C858 PolarHBondContact O-N 2.81Å; C858-L862 PolarHBondContact O-N 2.94Å; C858-L862 VanDerWaalsContact O-N 3.09Å |
| 859 | E | 94.4 | Very high | 92 | Very high | 99 Ų | 99 | 39.7 Ų | 39.7 | 46% | 0.463 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -69.3 | -42.5 | 178.3 | -71.6 | 162.5 | -157.1 | 0 | 0 | 112.1 | I604 Q855 F856 I861 L862 R863 | I604-E859 HydrophobicContact CD1-CG 4.2Å; I604-E859 HydrophobicContact CG2-CG 4.34Å; Q855-E859 WeakPolarHBondContact O-CG 3.46Å; Q855-E859 PolarHBondContact O-N 3.08Å; F856-E859 PolarHBondContact O-N 2.86Å; E859-I861 PolarHBondContact O-N 3.02Å; E859-L862 PolarHBondContact O-N 2.94Å; E859-R863 WeakPolarHBondContact O-CB 3.45Å; E859-R863 PolarHBondContact O-N 2.92Å |
| 860 | A | 95.8 | Very high | 91.7 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.008 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.3 | -39 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | P781 M818 F856 V864 | P781-A860 HydrophobicContact CB-CB 4.03Å; P781-A860 HydrophobicContact CG-CB 4.5Å; M818-A860 HydrophobicContact CE-CB 4.33Å; M818-A860 HydrophobicContact SD-CB 3.76Å; F856-A860 VanDerWaalsContact O-CB 3.26Å; F856-A860 WeakPolarHBondContact O-CB 3.48Å; F856-A860 PolarHBondContact O-N 2.87Å; A860-V864 WeakPolarHBondContact O-CG2 3.45Å; A860-V864 PolarHBondContact O-N 2.74Å; A860-V864 VanDerWaalsContact O-N 3.07Å |
| 861 | I | 97.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.5 | -51 | 172.9 | -72.3 | 166.3 | 0 | 0 | 0 | 110.5 | M597 L600 M818 A821 I825 V831 P833 V857 E859 R863 V864 Y865 | M597-I861 HydrophobicContact CE-CG2 3.96Å; M597-I861 HydrophobicContact SD-CG2 4.17Å; L600-I861 HydrophobicContact CD2-CB 4.21Å; L600-I861 HydrophobicContact CD2-CG2 3.65Å; M818-I861 HydrophobicContact CE-CG1 4.01Å; M818-I861 HydrophobicContact SD-CG1 3.74Å; A821-I861 HydrophobicContact CB-CD1 3.33Å; A821-I861 HydrophobicContact CB-CG1 3.51Å; A821-I861 HydrophobicContact CB-CG2 4.29Å; I825-I861 HydrophobicContact CD1-CG2 4.23Å; V831-I861 HydrophobicContact CG1-CD1 4.47Å; V831-I861 HydrophobicContact CG1-CG2 4.25Å; P833-I861 HydrophobicContact CG-CD1 3.95Å; V857-I861 HydrophobicContact CG2-CD1 4.06Å; V857-I861 HydrophobicContact CG2-CG1 4.43Å; V857-I861 WeakPolarHBondContact O-CB 3.36Å; V857-I861 VanDerWaalsContact O-CD1 3.31Å; V857-I861 WeakPolarHBondContact O-CD1 3.17Å; V857-I861 WeakPolarHBondContact O-CG1 3.4Å; V857-I861 PolarHBondContact O-N 3.03Å; E859-I861 PolarHBondContact O-N 3.02Å; I861-R863 VanDerWaalsContact C-N 3.33Å; I861-R863 PolarHBondContact O-N 3.49Å; I861-V864 PolarHBondContact O-N 2.86Å; I861-Y865 PolarHBondContact O-N 3.25Å |
| 862 | L | 95.1 | Very high | 90.4 | Very high | 19 Ų | 19 | 47.4 Ų | 47.4 | 10% | 0.099 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.3 | -38.6 | -179.2 | -176.6 | 64 | 0 | 0 | 0 | 112 | M597 L600 E601 I604 C858 E859 Y865 K866 | M597-L862 HydrophobicContact CB-CD1 4.48Å; L600-L862 HydrophobicContact CD2-CB 4.26Å; E601-L862 HydrophobicContact CB-CD1 4.12Å; E601-L862 HydrophobicContact CB-CD2 3.74Å; E601-L862 HydrophobicContact CG-CD2 4Å; I604-L862 HydrophobicContact CD1-CD2 4.12Å; C858-L862 PolarHBondContact O-N 2.94Å; C858-L862 VanDerWaalsContact O-N 3.09Å; E859-L862 PolarHBondContact O-N 2.94Å; L862-Y865 PolarHBondContact O-N 2.9Å; L862-K866 HydrophobicContact CG-CD 4.49Å; L862-K866 WeakPolarHBondContact O-CG 3.21Å; L862-K866 PolarHBondContact O-N 2.81Å; L862-K866 VanDerWaalsContact O-N 3.08Å |
| 863 | R | 93.9 | Very high | 89.2 | Confident | 78 Ų | 78 | 51 Ų | 51 | 29% | 0.294 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62.1 | -49.8 | 175.4 | 176.8 | 169.5 | 166.5 | -174.7 | -13.4 | 111.8 | D780 S782 E859 I861 Y865 K866 E867 | D780-R863 IonicContact OD1-CZ 2.64Å; D780-R863 IonicContact OD1-NH1 2.88Å; D780-R863 PolarHBondContact OD1-NH1 2.88Å; D780-R863 IonicContact OD1-NH2 3.11Å; D780-R863 IonicContact OD2-NH1 3.16Å; S782-R863 PolarHBondContact OG-NH2 2.87Å; E859-R863 WeakPolarHBondContact O-CB 3.45Å; E859-R863 PolarHBondContact O-N 2.92Å; I861-R863 VanDerWaalsContact C-N 3.33Å; I861-R863 PolarHBondContact O-N 3.49Å; R863-Y865 VanDerWaalsContact C-N 3.27Å; R863-Y865 PolarHBondContact O-N 2.88Å; R863-K866 PolarHBondContact O-N 3.05Å; R863-E867 HydrophobicContact CG-CG 4.35Å; R863-E867 WeakPolarHBondContact CG-OE1 3.36Å; R863-E867 IonicContact CZ-OE1 2.58Å; R863-E867 IonicContact NE-OE1 2.65Å; R863-E867 PolarHBondContact NE-OE1 2.81Å; R863-E867 IonicContact NH2-OE1 3.64Å; R863-E867 PolarHBondContact NH2-OE1 3.15Å; R863-E867 WeakPolarHBondContact O-CG 3.49Å; R863-E867 PolarHBondContact O-N 3.45Å |
| 864 | V | 94 | Very high | 87.2 | Confident | 18 Ų | 18 | 53.1 Ų | 53.1 | 11% | 0.109 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.2 | -31.6 | 179.3 | 177 | 0 | 0 | 0 | 0 | 112.1 | L785 M818 L822 A860 I861 K868 | L785-V864 HydrophobicContact CD1-CG2 3.66Å; L785-V864 HydrophobicContact CD2-CG2 3.7Å; L785-V864 HydrophobicContact CG-CG2 4.32Å; M818-V864 HydrophobicContact CE-CG2 4.08Å; L822-V864 HydrophobicContact CD2-CB 4.16Å; L822-V864 HydrophobicContact CD2-CG1 3.58Å; L822-V864 HydrophobicContact CD2-CG2 4.37Å; A860-V864 WeakPolarHBondContact O-CG2 3.45Å; A860-V864 PolarHBondContact O-N 2.74Å; A860-V864 VanDerWaalsContact O-N 3.07Å; I861-V864 PolarHBondContact O-N 2.86Å; V864-K868 WeakPolarHBondContact O-CG 3.36Å; V864-K868 PolarHBondContact O-N 3.18Å; V864-K868 VanDerWaalsContact O-N 3.17Å |
| 865 | Y | 94.3 | Very high | 84.6 | Confident | 28 Ų | 28 | 62.6 Ų | 62.6 | 11% | 0.11 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.9 | -49.3 | 171.6 | 179.4 | -100.7 | 0 | 0 | 0 | 112.1 | L593 M597 I861 L862 R863 K868 E869 | L593-Y865 HydrophobicContact CD1-CD2 4.32Å; L593-Y865 HydrophobicContact CD1-CE2 4.29Å; L593-Y865 HydrophobicContact CD2-CD2 4.02Å; L593-Y865 HydrophobicContact CD2-CE2 3.66Å; L593-Y865 HydrophobicContact CG-CD2 4.09Å; L593-Y865 HydrophobicContact CG-CE2 3.61Å; M597-Y865 HydrophobicContact CB-CD1 3.81Å; M597-Y865 HydrophobicContact CB-CE1 3.84Å; M597-Y865 HydrophobicContact CB-CG 4.21Å; M597-Y865 HydrophobicContact CG-CD1 3.63Å; M597-Y865 HydrophobicContact CG-CD2 3.63Å; M597-Y865 HydrophobicContact CG-CE1 3.87Å; M597-Y865 HydrophobicContact CG-CE2 3.85Å; M597-Y865 HydrophobicContact CG-CG 3.5Å; M597-Y865 HydrophobicContact SD-CD1 4.23Å; M597-Y865 HydrophobicContact SD-CD2 4.12Å; M597-Y865 HydrophobicContact SD-CG 3.74Å; I861-Y865 PolarHBondContact O-N 3.25Å; L862-Y865 PolarHBondContact O-N 2.9Å; R863-Y865 VanDerWaalsContact C-N 3.27Å; R863-Y865 PolarHBondContact O-N 2.88Å; Y865-K868 WeakPolarHBondContact O-CB 3.24Å; Y865-K868 PolarHBondContact O-N 2.84Å; Y865-K868 VanDerWaalsContact O-N 3.16Å; Y865-E869 HydrophobicContact CD1-CG 4.44Å; Y865-E869 HydrophobicContact CE1-CG 3.85Å; Y865-E869 HydrophobicContact CE2-CG 4.38Å; Y865-E869 VanDerWaalsContact CZ-OE1 3.22Å; Y865-E869 PolarHBondContact O-N 3.06Å; Y865-E869 PolarHBondContact OH-OE1 3.46Å |
| 866 | K | 92.1 | Very high | 84.2 | Confident | 79 Ų | 79 | 62.5 Ų | 62.5 | 34% | 0.343 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.6 | -46.4 | 178.5 | -70.1 | 178.9 | 178.5 | -173.6 | 0 | 112.1 | E601 L862 R863 K868 E869 E870 | E601-K866 VanDerWaalsContact CD-NZ 3.26Å; E601-K866 IonicContact OE1-NZ 3.7Å; E601-K866 PolarHBondContact OE1-NZ 3.07Å; E601-K866 IonicContact OE2-NZ 2.65Å; E601-K866 PolarHBondContact OE2-NZ 3.1Å; L862-K866 HydrophobicContact CG-CD 4.49Å; L862-K866 WeakPolarHBondContact O-CG 3.21Å; L862-K866 PolarHBondContact O-N 2.81Å; L862-K866 VanDerWaalsContact O-N 3.08Å; R863-K866 PolarHBondContact O-N 3.05Å; K866-K868 PolarHBondContact O-N 2.92Å; K866-K868 VanDerWaalsContact O-N 3.13Å; K866-E869 PolarHBondContact O-N 2.85Å; K866-E869 VanDerWaalsContact O-N 3.14Å; K866-E870 WeakPolarHBondContact O-CG 3.48Å; K866-E870 PolarHBondContact O-N 2.93Å |
| 867 | E | 89.6 | Confident | 83.7 | Confident | 41 Ų | 41 | 65.2 Ų | 65.2 | 19% | 0.192 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.5 | -24.1 | 175.4 | -73.2 | -178.1 | -160.3 | 0 | 0 | 113.3 | R863 K871 | R863-E867 HydrophobicContact CG-CG 4.35Å; R863-E867 WeakPolarHBondContact CG-OE1 3.36Å; R863-E867 IonicContact CZ-OE1 2.58Å; R863-E867 IonicContact NE-OE1 2.65Å; R863-E867 PolarHBondContact NE-OE1 2.81Å; R863-E867 IonicContact NH2-OE1 3.64Å; R863-E867 PolarHBondContact NH2-OE1 3.15Å; R863-E867 WeakPolarHBondContact O-CG 3.49Å; R863-E867 PolarHBondContact O-N 3.45Å; E867-K871 WeakPolarHBondContact O-CD 3.34Å; E867-K871 VanDerWaalsContact O-CE 3.25Å; E867-K871 WeakPolarHBondContact O-CE 3.46Å; E867-K871 VanDerWaalsContact O-CG 3.24Å; E867-K871 WeakPolarHBondContact O-CG 3.43Å |
| 868 | K | 86.9 | Confident | 83 | Confident | 65 Ų | 65 | 68.8 Ų | 68.8 | 28% | 0.283 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -81.3 | -47.3 | 172.1 | -82.4 | 179.5 | 168.4 | -171.7 | 0 | 112.4 | I825 D826 V864 Y865 K866 E870 K871 S872 | I825-K868 HydrophobicContact CG2-CD 3.79Å; D826-K868 IonicContact OD1-NZ 3.8Å; D826-K868 PolarHBondContact OD1-NZ 2.62Å; V864-K868 WeakPolarHBondContact O-CG 3.36Å; V864-K868 PolarHBondContact O-N 3.18Å; V864-K868 VanDerWaalsContact O-N 3.17Å; Y865-K868 WeakPolarHBondContact O-CB 3.24Å; Y865-K868 PolarHBondContact O-N 2.84Å; Y865-K868 VanDerWaalsContact O-N 3.16Å; K866-K868 PolarHBondContact O-N 2.92Å; K866-K868 VanDerWaalsContact O-N 3.13Å; K868-E870 VanDerWaalsContact C-N 3.28Å; K868-E870 PolarHBondContact O-N 2.94Å; K868-K871 PolarHBondContact O-N 3.42Å; K868-K871 VanDerWaalsContact O-N 3.14Å; K868-S872 PolarHBondContact O-N 3.23Å; K868-S872 PolarHBondContact O-OG 3Å |
| 869 | E | 84.3 | Confident | 82.2 | Confident | 54 Ų | 54 | 72.8 Ų | 72.8 | 25% | 0.252 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -57.9 | -41.6 | 177.7 | -77.3 | -148.4 | 161.8 | 0 | 0 | 112.2 | Y865 K866 K871 S872 K873 | Y865-E869 HydrophobicContact CD1-CG 4.44Å; Y865-E869 HydrophobicContact CE1-CG 3.85Å; Y865-E869 HydrophobicContact CE2-CG 4.38Å; Y865-E869 VanDerWaalsContact CZ-OE1 3.22Å; Y865-E869 PolarHBondContact O-N 3.06Å; Y865-E869 PolarHBondContact OH-OE1 3.46Å; K866-E869 PolarHBondContact O-N 2.85Å; K866-E869 VanDerWaalsContact O-N 3.14Å; E869-K871 VanDerWaalsContact C-N 3.33Å; E869-K871 PolarHBondContact O-N 2.85Å; E869-S872 CarbonylContact O-C 3.58Å; E869-S872 PolarHBondContact O-N 3.49Å; E869-K873 HydrophobicContact CB-CD 4.49Å; E869-K873 WeakPolarHBondContact O-CB 3.45Å; E869-K873 WeakPolarHBondContact O-CD 3.38Å; E869-K873 VanDerWaalsContact O-CG 3.24Å; E869-K873 WeakPolarHBondContact O-CG 3.25Å; E869-K873 PolarHBondContact O-N 3.49Å; E869-K873 IonicContact OE1-NZ 3.36Å; E869-K873 IonicContact OE2-NZ 2.75Å; E869-K873 PolarHBondContact OE2-NZ 2.87Å |
| 870 | E | 80.2 | Confident | 81.4 | Confident | 135 Ų | 135 | 71.1 Ų | 71.1 | 63% | 0.631 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -61 | -41.7 | 176.9 | -71.1 | 170.4 | 179.2 | 0 | 0 | 111.6 | K866 K868 S872 K873 A874 | K866-E870 WeakPolarHBondContact O-CG 3.48Å; K866-E870 PolarHBondContact O-N 2.93Å; K868-E870 VanDerWaalsContact C-N 3.28Å; K868-E870 PolarHBondContact O-N 2.94Å; E870-S872 VanDerWaalsContact C-N 3.35Å; E870-S872 PolarHBondContact O-N 2.92Å; E870-K873 PolarHBondContact O-N 3.41Å; E870-A874 PolarHBondContact O-N 2.68Å; E870-A874 VanDerWaalsContact O-N 3.07Å |
| 871 | K | 76 | Confident | 80.5 | Confident | 100 Ų | 100 | 75.8 Ų | 75.8 | 44% | 0.435 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -69.2 | -29.4 | 175.6 | -69.7 | 167.7 | -162.7 | 164.5 | 0 | 112.9 | H262 E867 K868 E869 | H262-K871 PolarHBondContact CD2-NZ 3Å; H262-K871 VanDerWaalsContact CD2-NZ 3.32Å; H262-K871 PolarHBondContact NE2-NZ 3.16Å; E867-K871 WeakPolarHBondContact O-CD 3.34Å; E867-K871 VanDerWaalsContact O-CE 3.25Å; E867-K871 WeakPolarHBondContact O-CE 3.46Å; E867-K871 VanDerWaalsContact O-CG 3.24Å; E867-K871 WeakPolarHBondContact O-CG 3.43Å; K868-K871 PolarHBondContact O-N 3.42Å; K868-K871 VanDerWaalsContact O-N 3.14Å; E869-K871 VanDerWaalsContact C-N 3.33Å; E869-K871 PolarHBondContact O-N 2.85Å |
| 872 | S | 72.2 | Confident | 79.3 | Confident | 105 Ų | 105 | 81.2 Ų | 81.2 | 73% | 0.734 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -83.2 | -10.5 | 173.5 | -64.2 | 0 | 0 | 0 | 0 | 114.2 | K868 E869 E870 | K868-S872 PolarHBondContact O-N 3.23Å; K868-S872 PolarHBondContact O-OG 3Å; E869-S872 CarbonylContact O-C 3.58Å; E869-S872 PolarHBondContact O-N 3.49Å; E870-S872 VanDerWaalsContact C-N 3.35Å; E870-S872 PolarHBondContact O-N 2.92Å |
| 873 | K | 63.8 | Low | 78.1 | Confident | 148 Ų | 148 | 86 Ų | 86 | 64% | 0.643 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -105.8 | -6.3 | 177.2 | -70.9 | 166.6 | -178.8 | 174.1 | 0 | 113 | E869 E870 | E869-K873 HydrophobicContact CB-CD 4.49Å; E869-K873 WeakPolarHBondContact O-CB 3.45Å; E869-K873 WeakPolarHBondContact O-CD 3.38Å; E869-K873 VanDerWaalsContact O-CG 3.24Å; E869-K873 WeakPolarHBondContact O-CG 3.25Å; E869-K873 PolarHBondContact O-N 3.49Å; E869-K873 IonicContact OE1-NZ 3.36Å; E869-K873 IonicContact OE2-NZ 2.75Å; E869-K873 PolarHBondContact OE2-NZ 2.87Å; E870-K873 PolarHBondContact O-N 3.41Å |
| 874 | A | 46.9 | Very low | 76.7 | Confident | 66 Ų | 66 | 86.7 Ų | 86.7 | 55% | 0.545 | 47% | 0.465 | S | S | . | . | trans | -73.3 | 132.8 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | E870 | E870-A874 PolarHBondContact O-N 2.68Å; E870-A874 VanDerWaalsContact O-N 3.07Å | ||
| 875 | P | 40.5 | Very low | 75.2 | Confident | 201 Ų | 201 | 92.9 Ų | 92.9 | 100% | 1.305 | 50% | 0.498 | S | S | * | . | trans | -80.6 | 0 | -179 | 34.4 | -36.6 | 0 | 0 | 0 | 114 |
Retrieved 875 of 875 residues in 945.9 ms
(Link to these results)