| 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 | 94 | Very high | 85.9 | Confident | 14 Ų | 14 | 53.2 Ų | 53.2 | 7% | 0.069 | 28% | 0.278 | C | S | . | . | 0 | 139.6 | 0 | 168.6 | -174.6 | -69.6 | 0 | 0 | 109.5 | F3 I25 D27 D30 W31 A34 L36 L37 L38 | M1-F3 HydrophobicContact SD-CD2 4.22Å; M1-I25 HydrophobicContact CB-CB 4.31Å; M1-I25 HydrophobicContact CE-CB 3.61Å; M1-I25 HydrophobicContact CE-CG2 3.24Å; M1-I25 WeakPolarHBondContact CG-O 3.38Å; M1-D27 WeakPolarHBondContact CE-O 3.37Å; M1-D30 HydrophobicContact CE-CB 4.38Å; M1-W31 HydrophobicContact CE-CB 4.3Å; M1-W31 VanDerWaalsContact SD-CA 3.55Å; M1-W31 HydrophobicContact SD-CB 3.64Å; M1-A34 HydrophobicContact CB-CB 3.98Å; M1-L36 PolarHBondContact N-O 2.92Å; M1-L37 HydrophobicContact CB-CD1 3.74Å; M1-L37 HydrophobicContact CG-CD1 3.75Å; M1-L37 HydrophobicContact SD-CD1 3.66Å; M1-L38 WeakPolarHBondContact O-CG 3.43Å; M1-L38 PolarHBondContact O-N 3.3Å | |||
| 2 | V | 92.4 | Very high | 86.3 | Confident | 27 Ų | 27 | 57.8 Ų | 57.8 | 16% | 0.164 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 122 | 166.5 | 179.9 | 0 | 0 | 0 | 0 | 109.4 | L10 L38 T40 | V2-L10 HydrophobicContact CG2-CD2 3.88Å; V2-L38 HydrophobicContact CG2-CB 4.39Å; V2-L38 HydrophobicContact CG2-CD1 3.78Å; V2-L38 HydrophobicContact CG2-CG 4.44Å; V2-T40 HydrophobicContact CG1-CG2 4.21Å |
| 3 | F | 92.3 | Very high | 86.9 | Confident | 32 Ų | 32 | 57.5 Ų | 57.5 | 14% | 0.14 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 99 | 174.2 | -153.5 | -81.7 | 0 | 0 | 0 | 109.2 | M1 R28 W31 L37 L38 I39 T40 L43 P45 | M1-F3 HydrophobicContact SD-CD2 4.22Å; F3-R28 HydrophobicContact CE2-CB 4.34Å; F3-W31 HydrophobicContact CD2-CB 3.99Å; F3-W31 HydrophobicContact CE2-CB 3.86Å; F3-W31 HydrophobicContact CE2-CG 4.04Å; F3-L37 HydrophobicContact CB-CD1 3.71Å; F3-L37 HydrophobicContact CB-CD2 3.95Å; F3-L37 HydrophobicContact CB-CG 3.71Å; F3-L37 HydrophobicContact CD2-CD1 3.97Å; F3-L37 HydrophobicContact CD2-CD2 4Å; F3-L37 HydrophobicContact CD2-CG 4.4Å; F3-L37 HydrophobicContact CG-CD1 4.26Å; F3-L37 HydrophobicContact CG-CD2 4.06Å; F3-L37 HydrophobicContact CG-CG 4.33Å; F3-L38 PolarHBondContact N-O 3.16Å; F3-I39 HydrophobicContact CB-CD1 4.08Å; F3-T40 PolarHBondContact O-N 2.87Å; F3-T40 PolarHBondContact O-OG1 3.35Å; F3-T40 VanDerWaalsContact O-OG1 3.08Å; F3-L43 WeakPolarHBondContact CD1-O 3.39Å; F3-P45 HydrophobicContact CD2-CG 4.13Å; F3-P45 HydrophobicContact CE1-CG 4.18Å; F3-P45 HydrophobicContact CE2-CG 3.67Å; F3-P45 HydrophobicContact CZ-CB 4.34Å; F3-P45 HydrophobicContact CZ-CG 3.69Å |
| 4 | G | 88.4 | Confident | 87.5 | Confident | 3 Ų | 3 | 54.8 Ų | 54.8 | 3% | 0.031 | 29% | 0.285 | C | S | . | . | S | Bend | trans | 114.9 | -151.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | R28 T40 | G4-R28 PolarHBondContact O-NH2 3.1Å; G4-T40 WeakPolarHBondContact CA-OG1 3.32Å |
| 5 | Y | 84.9 | Confident | 88 | Confident | 153 Ų | 153 | 61.6 Ų | 61.6 | 60% | 0.6 | 32% | 0.315 | S | S | * | . | trans | -88.9 | 134.1 | -173.8 | -55.6 | -76 | 0 | 0 | 0 | 111.4 | V7 T40 L43 | Y5-V7 PolarHBondContact O-N 2.94Å; Y5-V7 VanDerWaalsContact O-N 3.14Å; Y5-T40 PolarHBondContact N-OG1 3.15Å; Y5-T40 WeakPolarHBondContact O-CB 3.36Å; Y5-T40 VanDerWaalsContact O-CG2 3.27Å; Y5-T40 WeakPolarHBondContact O-CG2 3.33Å; Y5-T40 PolarHBondContact O-OG1 3.3Å; Y5-L43 HydrophobicContact CD2-CD1 3.89Å; Y5-L43 HydrophobicContact CE2-CD1 3.64Å | ||
| 6 | Q | 81.1 | Confident | 88.4 | Confident | 100 Ų | 100 | 62.2 Ų | 62.2 | 47% | 0.467 | 34% | 0.341 | S | S | . | . | trans | -67.4 | 114.1 | 169.2 | 179.8 | 172.3 | -20.5 | 0 | 0 | 109.1 | T8 L10 | Q6-T8 WeakPolarHBondContact CG-O 3.28Å; Q6-T8 PolarHBondContact NE2-O 2.74Å; Q6-L10 VanDerWaalsContact NE2-N 3.12Å | ||
| 7 | V | 75.8 | Confident | 88.9 | Confident | 61 Ų | 61 | 59.2 Ų | 59.2 | 37% | 0.37 | 33% | 0.326 | S | S | . | . | trans | -96.4 | -13.2 | -176.3 | -70 | 0 | 0 | 0 | 0 | 113.4 | Y5 T40 F58 | Y5-V7 PolarHBondContact O-N 2.94Å; Y5-V7 VanDerWaalsContact O-N 3.14Å; V7-T40 HydrophobicContact CG2-CG2 4.48Å; V7-F58 HydrophobicContact CG2-CD1 4.44Å; V7-F58 HydrophobicContact CG2-CE1 4.35Å | ||
| 8 | T | 76.7 | Confident | 89.3 | Confident | 9 Ų | 9 | 62.7 Ų | 62.7 | 6% | 0.055 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -138.1 | 161.6 | 179.8 | 56.6 | 0 | 0 | 0 | 0 | 111.7 | Q6 L10 F58 Y60 W261 | Q6-T8 WeakPolarHBondContact CG-O 3.28Å; Q6-T8 PolarHBondContact NE2-O 2.74Å; T8-L10 PolarHBondContact O-N 3.28Å; T8-F58 WeakPolarHBondContact OG1-CZ 3.13Å; T8-Y60 HydrophobicContact CG2-CD1 3.6Å; T8-Y60 HydrophobicContact CG2-CD2 3.34Å; T8-Y60 HydrophobicContact CG2-CE1 4.23Å; T8-Y60 HydrophobicContact CG2-CE2 3.96Å; T8-Y60 HydrophobicContact CG2-CG 3.1Å; T8-W261 HydrophobicContact CG2-CZ3 4.48Å |
| 9 | P | 81.2 | Confident | 89.6 | Confident | 98 Ų | 98 | 61.2 Ų | 61.2 | 64% | 0.636 | 34% | 0.344 | S | S | * | . | trans | -56.6 | 121.7 | 167.1 | -22.6 | 34.4 | 0 | 0 | 0 | 110.3 | ||||
| 10 | L | 88 | Confident | 89.8 | Confident | 14 Ų | 14 | 61.5 Ų | 61.5 | 7% | 0.073 | 35% | 0.35 | C | S | . | . | trans | -134.4 | 114.9 | 176.7 | -179.7 | 61.1 | 0 | 0 | 0 | 107.5 | V2 Q6 T8 F24 L38 L265 E266 F269 | V2-L10 HydrophobicContact CG2-CD2 3.88Å; Q6-L10 VanDerWaalsContact NE2-N 3.12Å; T8-L10 PolarHBondContact O-N 3.28Å; L10-F24 HydrophobicContact CD1-CZ 4.09Å; L10-F24 HydrophobicContact CD2-CE1 3.69Å; L10-F24 HydrophobicContact CD2-CZ 3.93Å; L10-F24 HydrophobicContact CG-CE1 4.23Å; L10-F24 HydrophobicContact CG-CZ 3.97Å; L10-L38 HydrophobicContact CD2-CD1 3.82Å; L10-L265 HydrophobicContact CD1-CB 3.75Å; L10-E266 HydrophobicContact CD1-CB 4Å; L10-F269 HydrophobicContact CD1-CD2 3.98Å; L10-F269 HydrophobicContact CD1-CE2 3.78Å; L10-F269 HydrophobicContact CD2-CE2 4.3Å | ||
| 11 | T | 90.4 | Very high | 90.1 | Very high | 74 Ų | 74 | 64.8 Ų | 64.8 | 45% | 0.454 | 37% | 0.366 | S | S | . | . | trans | -76.1 | 137.7 | 176.7 | -56.2 | 0 | 0 | 0 | 0 | 108.8 | F24 E266 | T11-F24 WeakPolarHBondContact O-CE2 3.35Å; T11-E266 VanDerWaalsContact O-CB 3.23Å; T11-E266 WeakPolarHBondContact O-CB 3.33Å; T11-E266 WeakPolarHBondContact O-CG 3.39Å | ||
| 12 | K | 90 | Very high | 90.2 | Very high | 108 Ų | 108 | 65.8 Ų | 65.8 | 47% | 0.47 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -93.2 | 6.6 | 178.2 | -66.5 | -177.6 | 178 | 176.3 | 0 | 114.1 | F24 E26 | K12-F24 HydrophobicContact CB-CD2 3.87Å; K12-F24 HydrophobicContact CB-CE2 4.37Å; K12-F24 HydrophobicContact CB-CG 4.34Å; K12-F24 HydrophobicContact CG-CB 4.43Å; K12-F24 HydrophobicContact CG-CD2 4.04Å; K12-F24 HydrophobicContact CG-CE2 4.46Å; K12-F24 HydrophobicContact CG-CG 4.11Å; K12-E26 WeakPolarHBondContact CD-OE1 3.31Å; K12-E26 IonicContact NZ-OE1 2.79Å; K12-E26 PolarHBondContact NZ-OE1 2.65Å |
| 13 | S | 94 | Very high | 90.4 | Very high | 54 Ų | 54 | 72.2 Ų | 72.2 | 38% | 0.378 | 40% | 0.402 | S | S | . | . | trans | -106.9 | 130 | 175.2 | 177.6 | 0 | 0 | 0 | 0 | 110.2 | E15 E266 | S13-E15 VanDerWaalsContact C-N 3.31Å; S13-E15 WeakPolarHBondContact OG-CB 3.39Å; S13-E15 PolarHBondContact OG-N 3.04Å; S13-E266 WeakPolarHBondContact O-CG 3.46Å | ||
| 14 | F | 95.5 | Very high | 90.5 | Very high | 20 Ų | 20 | 72.6 Ų | 72.6 | 9% | 0.088 | 40% | 0.403 | C | S | . | . | trans | -93.6 | 13.5 | 176.3 | -55.7 | -83.1 | 0 | 0 | 0 | 112.9 | G16 C17 S20 C22 F24 E266 C270 | F14-G16 PolarHBondContact O-N 3.29Å; F14-C17 VanDerWaalsContact O-CB 3.27Å; F14-C17 WeakPolarHBondContact O-CB 3.25Å; F14-C17 PolarHBondContact O-N 3.04Å; F14-C17 VanDerWaalsContact O-N 3.14Å; F14-C17 PolarHBondContact O-SG 3.14Å; F14-C17 VanDerWaalsContact O-SG 3.38Å; F14-S20 VanDerWaalsContact O-CB 3.25Å; F14-S20 WeakPolarHBondContact O-CB 3.46Å; F14-C22 HydrophobicContact CD1-CB 4.03Å; F14-C22 HydrophobicContact CD2-CB 3.94Å; F14-C22 WeakPolarHBondContact CD2-O 3.4Å; F14-C22 HydrophobicContact CE1-CB 3.72Å; F14-C22 HydrophobicContact CE2-CB 3.65Å; F14-C22 WeakPolarHBondContact CE2-O 3.24Å; F14-C22 HydrophobicContact CG-CB 4.12Å; F14-C22 HydrophobicContact CZ-CB 3.5Å; F14-F24 HydrophobicContact CE1-CD2 4.32Å; F14-F24 AromaticContact CE1-CE2 3.68Å; F14-F24 HydrophobicContact CE1-CE2 3.68Å; F14-F24 HydrophobicContact CE1-CZ 4.27Å; F14-F24 AromaticContact CE2-CD2 3.57Å; F14-F24 HydrophobicContact CE2-CD2 3.57Å; F14-F24 AromaticContact CE2-CE2 3.77Å; F14-F24 HydrophobicContact CE2-CE2 3.77Å; F14-F24 AromaticContact CZ-CD2 3.36Å; F14-F24 HydrophobicContact CZ-CD2 3.36Å; F14-F24 AromaticContact CZ-CE2 3.16Å; F14-F24 HydrophobicContact CZ-CE2 3.16Å; F14-F24 HydrophobicContact CZ-CG 4.3Å; F14-F24 AromaticContact CZ-CZ 3.97Å; F14-F24 HydrophobicContact CZ-CZ 3.97Å; F14-E266 HydrophobicContact CD1-CB 4.12Å; F14-E266 HydrophobicContact CD1-CG 4.26Å; F14-E266 WeakPolarHBondContact CD1-O 3.46Å; F14-E266 HydrophobicContact CE1-CB 3.92Å; F14-E266 VanDerWaalsContact CE1-O 3.28Å; F14-E266 WeakPolarHBondContact CE1-O 2.92Å; F14-C270 HydrophobicContact CD1-CB 3.66Å; F14-C270 HydrophobicContact CE1-CB 3.71Å | ||
| 15 | E | 95 | Very high | 90.8 | Very high | 157 Ų | 157 | 74 Ų | 74 | 73% | 0.734 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | 133.8 | 176.3 | -169.7 | 178 | -178.9 | 0 | 0 | 111.1 | S13 C17 R264 | S13-E15 VanDerWaalsContact C-N 3.31Å; S13-E15 WeakPolarHBondContact OG-CB 3.39Å; S13-E15 PolarHBondContact OG-N 3.04Å; E15-C17 PolarHBondContact O-N 3.47Å; E15-R264 PolarHBondContact O-NH2 3.39Å |
| 16 | G | 94.9 | Very high | 91.1 | Very high | 71 Ų | 71 | 73.1 Ų | 73.1 | 73% | 0.732 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.3 | 2.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | F14 | F14-G16 PolarHBondContact O-N 3.29Š|
| 17 | C | 96.6 | Very high | 91.7 | Very high | 12 Ų | 12 | 72.6 Ų | 72.6 | 8% | 0.081 | 41% | 0.412 | C | S | . | . | trans | -74.3 | 145.8 | 171.5 | -62.1 | 0 | 0 | 0 | 0 | 111 | F14 E15 V19 C267 | F14-C17 VanDerWaalsContact O-CB 3.27Å; F14-C17 WeakPolarHBondContact O-CB 3.25Å; F14-C17 PolarHBondContact O-N 3.04Å; F14-C17 VanDerWaalsContact O-N 3.14Å; F14-C17 PolarHBondContact O-SG 3.14Å; F14-C17 VanDerWaalsContact O-SG 3.38Å; E15-C17 PolarHBondContact O-N 3.47Å; C17-V19 WeakPolarHBondContact CB-O 3.38Å; C17-V19 PolarHBondContact O-N 3.15Å; C17-C267 WeakPolarHBondContact CA-SG 3.27Å; C17-C267 HydrophobicContact CB-CB 3.62Å; C17-C267 WeakPolarHBondContact CB-SG 3.44Å; C17-C267 WeakPolarHBondContact SG-CA 3.28Å; C17-C267 WeakPolarHBondContact SG-CB 3.32Å; C17-C267 CovalentContact SG-SG 2.04Å; C17-C267 PolarHBondContact SG-SG 2.88Å | ||
| 18 | P | 95.4 | Very high | 92.4 | Very high | 122 Ų | 122 | 75.1 Ų | 75.1 | 79% | 0.792 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -57.7 | -32.9 | 173.9 | -25.1 | 34.4 | 0 | 0 | 0 | 113.2 | ||
| 19 | V | 95.8 | Very high | 93.2 | Very high | 34 Ų | 34 | 78.5 Ų | 78.5 | 21% | 0.206 | 44% | 0.439 | C | S | . | . | S | Bend | trans | -121.6 | 121.8 | 167.7 | -177.3 | 0 | 0 | 0 | 0 | 107.1 | C17 I21 C270 L271 H274 | C17-V19 WeakPolarHBondContact CB-O 3.38Å; C17-V19 PolarHBondContact O-N 3.15Å; V19-I21 HydrophobicContact CG1-CG1 4.26Å; V19-C270 PolarHBondContact O-SG 3.32Å; V19-L271 HydrophobicContact CG2-CD1 3.69Å; V19-H274 HydrophobicContact CG1-CB 4.14Å; V19-H274 WeakPolarHBondContact CG1-CD2 3.38Å |
| 20 | S | 94.5 | Very high | 93.9 | Very high | 66 Ų | 66 | 76.2 Ų | 76.2 | 46% | 0.462 | 42% | 0.421 | S | S | . | . | trans | -124.2 | -3.4 | -170.8 | 58.1 | 0 | 0 | 0 | 0 | 114.5 | F14 C22 | F14-S20 VanDerWaalsContact O-CB 3.25Å; F14-S20 WeakPolarHBondContact O-CB 3.46Å; S20-C22 PolarHBondContact O-N 3.39Å | ||
| 21 | I | 95.4 | Very high | 94.2 | Very high | 132 Ų | 132 | 76.7 Ų | 76.7 | 68% | 0.677 | 42% | 0.422 | S | S | * | . | trans | -84.7 | 60.3 | 178.4 | 47.8 | 160.9 | 0 | 0 | 0 | 111.2 | V19 H274 | V19-I21 HydrophobicContact CG1-CG1 4.26Å; I21-H274 WeakPolarHBondContact CD1-CE1 3.24Å; I21-H274 VanDerWaalsContact CG1-CE1 3.46Å; I21-H274 WeakPolarHBondContact CG1-CE1 3.33Å; I21-H274 PolarHBondContact O-NE2 3.22Å | ||
| 22 | C | 96.5 | Very high | 94.5 | Very high | 35 Ų | 35 | 79 Ų | 79 | 24% | 0.236 | 42% | 0.422 | C | S | . | . | trans | -128.6 | 162 | 173.2 | -67.1 | 0 | 0 | 0 | 0 | 110.5 | F14 S20 C270 H274 | F14-C22 HydrophobicContact CD1-CB 4.03Å; F14-C22 HydrophobicContact CD2-CB 3.94Å; F14-C22 WeakPolarHBondContact CD2-O 3.4Å; F14-C22 HydrophobicContact CE1-CB 3.72Å; F14-C22 HydrophobicContact CE2-CB 3.65Å; F14-C22 WeakPolarHBondContact CE2-O 3.24Å; F14-C22 HydrophobicContact CG-CB 4.12Å; F14-C22 HydrophobicContact CZ-CB 3.5Å; S20-C22 PolarHBondContact O-N 3.39Å; C22-C270 HydrophobicContact CB-CB 3.79Å; C22-C270 WeakPolarHBondContact CB-SG 3.45Å; C22-C270 WeakPolarHBondContact SG-CA 3.26Å; C22-C270 WeakPolarHBondContact SG-CB 3.42Å; C22-C270 CovalentContact SG-SG 2.03Å; C22-C270 PolarHBondContact SG-SG 2.99Å; C22-H274 VanDerWaalsContact SG-CD2 3.52Å | ||
| 23 | Q | 95.8 | Very high | 94.7 | Very high | 162 Ų | 162 | 80.2 Ų | 80.2 | 76% | 0.757 | 43% | 0.428 | S | S | * | . | trans | -135.8 | 143.8 | 172.4 | 61.2 | -179.3 | -11.1 | 0 | 0 | 110.7 | ||||
| 24 | F | 95.1 | Very high | 94.8 | Very high | 39 Ų | 39 | 78 Ų | 78 | 17% | 0.171 | 41% | 0.412 | C | S | . | . | trans | -83.4 | 119.8 | 169.4 | -82.6 | -83.2 | 0 | 0 | 0 | 109.9 | L10 T11 K12 F14 E266 | L10-F24 HydrophobicContact CD1-CZ 4.09Å; L10-F24 HydrophobicContact CD2-CE1 3.69Å; L10-F24 HydrophobicContact CD2-CZ 3.93Å; L10-F24 HydrophobicContact CG-CE1 4.23Å; L10-F24 HydrophobicContact CG-CZ 3.97Å; T11-F24 WeakPolarHBondContact O-CE2 3.35Å; K12-F24 HydrophobicContact CB-CD2 3.87Å; K12-F24 HydrophobicContact CB-CE2 4.37Å; K12-F24 HydrophobicContact CB-CG 4.34Å; K12-F24 HydrophobicContact CG-CB 4.43Å; K12-F24 HydrophobicContact CG-CD2 4.04Å; K12-F24 HydrophobicContact CG-CE2 4.46Å; K12-F24 HydrophobicContact CG-CG 4.11Å; F14-F24 HydrophobicContact CE1-CD2 4.32Å; F14-F24 AromaticContact CE1-CE2 3.68Å; F14-F24 HydrophobicContact CE1-CE2 3.68Å; F14-F24 HydrophobicContact CE1-CZ 4.27Å; F14-F24 AromaticContact CE2-CD2 3.57Å; F14-F24 HydrophobicContact CE2-CD2 3.57Å; F14-F24 AromaticContact CE2-CE2 3.77Å; F14-F24 HydrophobicContact CE2-CE2 3.77Å; F14-F24 AromaticContact CZ-CD2 3.36Å; F14-F24 HydrophobicContact CZ-CD2 3.36Å; F14-F24 AromaticContact CZ-CE2 3.16Å; F14-F24 HydrophobicContact CZ-CE2 3.16Å; F14-F24 HydrophobicContact CZ-CG 4.3Å; F14-F24 AromaticContact CZ-CZ 3.97Å; F14-F24 HydrophobicContact CZ-CZ 3.97Å; F24-E266 HydrophobicContact CE2-CB 3.92Å; F24-E266 HydrophobicContact CZ-CB 3.93Å | ||
| 25 | I | 94.7 | Very high | 94.8 | Very high | 32 Ų | 32 | 81.8 Ų | 81.8 | 16% | 0.164 | 43% | 0.434 | C | S | . | . | trans | -83.8 | 119.1 | 167.5 | -49.5 | -179 | 0 | 0 | 0 | 107.9 | M1 D30 K33 A34 | M1-I25 HydrophobicContact CB-CB 4.31Å; M1-I25 HydrophobicContact CE-CB 3.61Å; M1-I25 HydrophobicContact CE-CG2 3.24Å; M1-I25 WeakPolarHBondContact CG-O 3.38Å; I25-D30 HydrophobicContact CG2-CB 3.73Å; I25-K33 HydrophobicContact CD1-CB 3.78Å; I25-A34 HydrophobicContact CD1-CB 4Å | ||
| 26 | E | 91.5 | Very high | 94.8 | Very high | 135 Ų | 135 | 74.9 Ų | 74.9 | 63% | 0.631 | 40% | 0.402 | S | S | * | . | trans | -90.3 | -41.6 | -175.1 | -56.6 | -155.9 | 150.5 | 0 | 0 | 113.4 | K12 R28 | K12-E26 WeakPolarHBondContact CD-OE1 3.31Å; K12-E26 IonicContact NZ-OE1 2.79Å; K12-E26 PolarHBondContact NZ-OE1 2.65Å; E26-R28 PolarHBondContact O-N 3.05Å | ||
| 27 | D | 92.8 | Very high | 94.9 | Very high | 90 Ų | 90 | 71.5 Ų | 71.5 | 48% | 0.481 | 37% | 0.367 | S | S | . | . | trans | -72.3 | 115.9 | 178.5 | -175.2 | -2.3 | 0 | 0 | 0 | 110.2 | M1 S29 D30 | M1-D27 WeakPolarHBondContact CE-O 3.37Å; D27-S29 PolarHBondContact O-N 2.91Å; D27-S29 VanDerWaalsContact OD1-CB 3.31Å; D27-S29 WeakPolarHBondContact OD1-CB 3.44Å; D27-S29 PolarHBondContact OD1-N 2.87Å; D27-S29 PolarHBondContact OD1-OG 3.37Å; D27-S29 PolarHBondContact OD2-OG 3.37Å; D27-D30 WeakPolarHBondContact O-CB 3.41Å; D27-D30 PolarHBondContact O-N 3.36Å | ||
| 28 | R | 91.3 | Very high | 94.8 | Very high | 113 Ų | 113 | 71.1 Ų | 71.1 | 43% | 0.426 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -63.2 | -21 | 178.2 | -61.9 | -174.7 | -169.5 | 163.4 | 7.6 | 113.1 | F3 G4 E26 D30 W31 | F3-R28 HydrophobicContact CE2-CB 4.34Å; G4-R28 PolarHBondContact O-NH2 3.1Å; E26-R28 PolarHBondContact O-N 3.05Å; R28-D30 PolarHBondContact O-N 3.46Å; R28-W31 WeakPolarHBondContact O-CB 3.44Å; R28-W31 PolarHBondContact O-N 3.34Å |
| 29 | S | 92.9 | Very high | 94.7 | Very high | 80 Ų | 80 | 65.4 Ų | 65.4 | 56% | 0.559 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -62.1 | -30.7 | 174.6 | 84.5 | 0 | 0 | 0 | 0 | 111.5 | D27 W31 | D27-S29 PolarHBondContact O-N 2.91Å; D27-S29 VanDerWaalsContact OD1-CB 3.31Å; D27-S29 WeakPolarHBondContact OD1-CB 3.44Å; D27-S29 PolarHBondContact OD1-N 2.87Å; D27-S29 PolarHBondContact OD1-OG 3.37Å; D27-S29 PolarHBondContact OD2-OG 3.37Å; S29-W31 VanDerWaalsContact C-N 3.25Å; S29-W31 PolarHBondContact O-N 2.91Å |
| 30 | D | 95.4 | Very high | 94.4 | Very high | 51 Ų | 51 | 63.8 Ų | 63.8 | 27% | 0.273 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -84.9 | 14.6 | -179.6 | -89.2 | -19.7 | 0 | 0 | 0 | 113.8 | M1 I25 D27 R28 R32 K33 | M1-D30 HydrophobicContact CE-CB 4.38Å; I25-D30 HydrophobicContact CG2-CB 3.73Å; D27-D30 WeakPolarHBondContact O-CB 3.41Å; D27-D30 PolarHBondContact O-N 3.36Å; R28-D30 PolarHBondContact O-N 3.46Å; D30-R32 PolarHBondContact O-N 3.4Å; D30-K33 HydrophobicContact CB-CD 4.09Å; D30-K33 WeakPolarHBondContact O-CB 3.4Å; D30-K33 PolarHBondContact O-N 2.92Å; D30-K33 WeakPolarHBondContact OD1-CE 3.02Å; D30-K33 IonicContact OD1-NZ 2.66Å; D30-K33 PolarHBondContact OD1-NZ 3.45Å; D30-K33 IonicContact OD2-NZ 3.55Å; D30-K33 PolarHBondContact OD2-NZ 3Å |
| 31 | W | 95.6 | Very high | 94 | Very high | 23 Ų | 23 | 63.5 Ų | 63.5 | 9% | 0.087 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -54.9 | -26.9 | -174.8 | 71.9 | -87.7 | 0 | 0 | 0 | 114 | M1 F3 R28 S29 K33 A34 L37 P45 L47 Q53 | M1-W31 HydrophobicContact CE-CB 4.3Å; M1-W31 VanDerWaalsContact SD-CA 3.55Å; M1-W31 HydrophobicContact SD-CB 3.64Å; F3-W31 HydrophobicContact CD2-CB 3.99Å; F3-W31 HydrophobicContact CE2-CB 3.86Å; F3-W31 HydrophobicContact CE2-CG 4.04Å; R28-W31 WeakPolarHBondContact O-CB 3.44Å; R28-W31 PolarHBondContact O-N 3.34Å; S29-W31 VanDerWaalsContact C-N 3.25Å; S29-W31 PolarHBondContact O-N 2.91Å; W31-K33 VanDerWaalsContact C-N 3.25Å; W31-K33 PolarHBondContact O-N 3.15Å; W31-A34 PolarHBondContact O-N 3.28Å; W31-L37 HydrophobicContact CB-CD1 4.33Å; W31-P45 HydrophobicContact CD2-CB 3.88Å; W31-P45 HydrophobicContact CD2-CG 3.49Å; W31-P45 VanDerWaalsContact CD2-CG 3.49Å; W31-P45 HydrophobicContact CE3-CB 4.06Å; W31-P45 HydrophobicContact CE3-CG 3.55Å; W31-P45 HydrophobicContact CG-CG 3.94Å; W31-P45 HydrophobicContact CH2-CB 3.88Å; W31-P45 HydrophobicContact CH2-CG 4.29Å; W31-P45 HydrophobicContact CZ2-CB 3.72Å; W31-P45 HydrophobicContact CZ2-CG 4.27Å; W31-P45 HydrophobicContact CZ3-CB 4.05Å; W31-P45 HydrophobicContact CZ3-CG 3.95Å; W31-L47 HydrophobicContact CH2-CB 4.41Å; W31-L47 HydrophobicContact CZ2-CB 4.05Å; W31-Q53 PolarHBondContact O-NE2 3.05Å |
| 32 | R | 95.5 | Very high | 93.5 | Very high | 123 Ų | 123 | 57.5 Ų | 57.5 | 46% | 0.464 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -67.7 | -22.3 | 176.5 | -68.9 | -173.7 | 174.6 | -77.4 | 2.8 | 113.8 | D30 L47 K48 P50 | D30-R32 PolarHBondContact O-N 3.4Å; R32-L47 VanDerWaalsContact NH2-CD1 3.33Å; R32-K48 PolarHBondContact NH1-O 3.34Å; R32-P50 HydrophobicContact CB-CG 4.39Å |
| 33 | K | 95.5 | Very high | 93.3 | Very high | 134 Ų | 134 | 59.1 Ų | 59.1 | 58% | 0.583 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -81.5 | -15.2 | 177.2 | -61.2 | 177.8 | -174.6 | 161.9 | 0 | 112.6 | I25 D30 W31 | I25-K33 HydrophobicContact CD1-CB 3.78Å; D30-K33 HydrophobicContact CB-CD 4.09Å; D30-K33 WeakPolarHBondContact O-CB 3.4Å; D30-K33 PolarHBondContact O-N 2.92Å; D30-K33 WeakPolarHBondContact OD1-CE 3.02Å; D30-K33 IonicContact OD1-NZ 2.66Å; D30-K33 PolarHBondContact OD1-NZ 3.45Å; D30-K33 IonicContact OD2-NZ 3.55Å; D30-K33 PolarHBondContact OD2-NZ 3Å; W31-K33 VanDerWaalsContact C-N 3.25Å; W31-K33 PolarHBondContact O-N 3.15Å |
| 34 | A | 95.8 | Very high | 93.1 | Very high | 7 Ų | 7 | 52.7 Ų | 52.7 | 6% | 0.058 | 26% | 0.257 | C | S | . | . | trans | -78.9 | 132.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | M1 I25 W31 Q53 | M1-A34 HydrophobicContact CB-CB 3.98Å; I25-A34 HydrophobicContact CD1-CB 4Å; W31-A34 PolarHBondContact O-N 3.28Å; A34-Q53 WeakPolarHBondContact O-CG 3.41Å; A34-Q53 PolarHBondContact O-NE2 3Å | ||
| 35 | D | 95.1 | Very high | 93 | Very high | 100 Ų | 100 | 51.3 Ų | 51.3 | 54% | 0.535 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -73.5 | -36.3 | 169.5 | -51.9 | -71.1 | 0 | 0 | 0 | 111.3 | Q53 A54 L276 | D35-Q53 CarbonylContact O-C 3.57Å; D35-Q53 WeakPolarHBondContact O-CA 3.32Å; D35-A54 PolarHBondContact O-N 2.93Å; D35-L276 HydrophobicContact CB-CD1 4.25Å; D35-L276 WeakPolarHBondContact O-CD1 3.46Å |
| 36 | L | 95.6 | Very high | 92.8 | Very high | 12 Ų | 12 | 57.8 Ų | 57.8 | 6% | 0.063 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 125.1 | 178.8 | -168.2 | 70 | 0 | 0 | 0 | 111.7 | M1 L38 A54 I56 F269 L272 A273 | M1-L36 PolarHBondContact N-O 2.92Å; L36-L38 HydrophobicContact CD2-CD2 4.03Å; L36-L38 HydrophobicContact CG-CD2 4.19Å; L36-A54 WeakPolarHBondContact CA-O 3.18Å; L36-A54 HydrophobicContact CD1-CB 3.95Å; L36-I56 HydrophobicContact CD1-CB 4.45Å; L36-I56 HydrophobicContact CD1-CG2 4.34Å; L36-I56 HydrophobicContact CD2-CG2 4.47Å; L36-I56 HydrophobicContact CG-CG2 4.3Å; L36-F269 HydrophobicContact CD2-CB 4.05Å; L36-F269 HydrophobicContact CD2-CD1 4.36Å; L36-F269 HydrophobicContact CD2-CG 4.47Å; L36-L272 HydrophobicContact CD1-CD2 4.3Å; L36-L272 HydrophobicContact CD2-CD2 4.2Å; L36-A273 HydrophobicContact CB-CB 4.29Å |
| 37 | L | 95.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 118.8 | 177.2 | -160.1 | 63.3 | 0 | 0 | 0 | 110.7 | M1 F3 W31 I39 P45 A54 W55 I56 | M1-L37 HydrophobicContact CB-CD1 3.74Å; M1-L37 HydrophobicContact CG-CD1 3.75Å; M1-L37 HydrophobicContact SD-CD1 3.66Å; F3-L37 HydrophobicContact CB-CD1 3.71Å; F3-L37 HydrophobicContact CB-CD2 3.95Å; F3-L37 HydrophobicContact CB-CG 3.71Å; F3-L37 HydrophobicContact CD2-CD1 3.97Å; F3-L37 HydrophobicContact CD2-CD2 4Å; F3-L37 HydrophobicContact CD2-CG 4.4Å; F3-L37 HydrophobicContact CG-CD1 4.26Å; F3-L37 HydrophobicContact CG-CD2 4.06Å; F3-L37 HydrophobicContact CG-CG 4.33Å; W31-L37 HydrophobicContact CB-CD1 4.33Å; L37-I39 HydrophobicContact CB-CD1 4.45Å; L37-I39 HydrophobicContact CD2-CD1 3.62Å; L37-I39 HydrophobicContact CG-CD1 3.83Å; L37-I39 PolarHBondContact O-N 2.98Å; L37-P45 HydrophobicContact CD2-CG 3.82Å; L37-A54 PolarHBondContact N-O 2.86Å; L37-W55 HydrophobicContact CB-CG 4.3Å; L37-W55 HydrophobicContact CD2-CZ2 4.42Å; L37-W55 WeakPolarHBondContact O-CA 3.49Å; L37-I56 PolarHBondContact O-N 2.92Å |
| 38 | L | 94.8 | Very high | 92.6 | Very high | 3 Ų | 3 | 60.1 Ų | 60.1 | 2% | 0.016 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 100.9 | 176.9 | -38.3 | -178.2 | 0 | 0 | 0 | 108.5 | M1 V2 F3 L10 L36 I56 F58 F269 | M1-L38 WeakPolarHBondContact O-CG 3.43Å; M1-L38 PolarHBondContact O-N 3.3Å; V2-L38 HydrophobicContact CG2-CB 4.39Å; V2-L38 HydrophobicContact CG2-CD1 3.78Å; V2-L38 HydrophobicContact CG2-CG 4.44Å; F3-L38 PolarHBondContact N-O 3.16Å; L10-L38 HydrophobicContact CD2-CD1 3.82Å; L36-L38 HydrophobicContact CD2-CD2 4.03Å; L36-L38 HydrophobicContact CG-CD2 4.19Å; L38-I56 HydrophobicContact CB-CG2 4.11Å; L38-I56 HydrophobicContact CD2-CG2 3.16Å; L38-I56 HydrophobicContact CG-CG2 4.2Å; L38-F58 HydrophobicContact CB-CB 4.01Å; L38-F58 HydrophobicContact CB-CD1 3.9Å; L38-F58 HydrophobicContact CB-CG 4.12Å; L38-F58 HydrophobicContact CD1-CD1 4.34Å; L38-F58 HydrophobicContact CD1-CE1 4.39Å; L38-F269 HydrophobicContact CD1-CD2 3.7Å; L38-F269 HydrophobicContact CD1-CE2 3.46Å; L38-F269 VanDerWaalsContact CD1-CE2 3.46Å; L38-F269 HydrophobicContact CD1-CG 4.49Å; L38-F269 HydrophobicContact CD1-CZ 4.08Å; L38-F269 HydrophobicContact CD2-CD1 4.06Å; L38-F269 HydrophobicContact CD2-CD2 4.05Å; L38-F269 HydrophobicContact CD2-CE1 4.15Å; L38-F269 HydrophobicContact CD2-CE2 4.11Å; L38-F269 HydrophobicContact CD2-CG 4.03Å; L38-F269 HydrophobicContact CD2-CZ 4.16Å; L38-F269 HydrophobicContact CG-CE2 4.45Å |
| 39 | I | 93.5 | Very high | 92.6 | Very high | 3 Ų | 3 | 57.2 Ų | 57.2 | 2% | 0.015 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 121.1 | -176.4 | -61.4 | -58.2 | 0 | 0 | 0 | 109.4 | F3 L37 H44 W55 I56 F58 L72 I76 | F3-I39 HydrophobicContact CB-CD1 4.08Å; L37-I39 HydrophobicContact CB-CD1 4.45Å; L37-I39 HydrophobicContact CD2-CD1 3.62Å; L37-I39 HydrophobicContact CG-CD1 3.83Å; L37-I39 PolarHBondContact O-N 2.98Å; I39-H44 HydrophobicContact CD1-CB 3.8Å; I39-H44 HydrophobicContact CG2-CB 4.37Å; I39-W55 HydrophobicContact CD1-CD2 4.03Å; I39-W55 HydrophobicContact CD1-CE3 4.08Å; I39-W55 HydrophobicContact CD1-CG 4.32Å; I39-W55 HydrophobicContact CG1-CB 3.95Å; I39-W55 HydrophobicContact CG1-CD2 4.06Å; I39-W55 HydrophobicContact CG1-CE3 4Å; I39-W55 HydrophobicContact CG1-CG 4.07Å; I39-I56 PolarHBondContact N-O 2.88Å; I39-F58 PolarHBondContact O-N 3.18Å; I39-L72 HydrophobicContact CG2-CD1 3.87Å; I39-L72 HydrophobicContact CG2-CD2 3.69Å; I39-L72 HydrophobicContact CG2-CG 4.43Å; I39-I76 HydrophobicContact CB-CD1 4.11Å; I39-I76 HydrophobicContact CG1-CD1 4.1Å; I39-I76 HydrophobicContact CG2-CD1 4.3Å |
| 40 | T | 90.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | trans | -118.9 | 137.1 | -178 | 55.8 | 0 | 0 | 0 | 0 | 110.4 | V2 F3 G4 Y5 V7 G42 L43 F58 | V2-T40 HydrophobicContact CG1-CG2 4.21Å; F3-T40 PolarHBondContact O-N 2.87Å; F3-T40 PolarHBondContact O-OG1 3.35Å; F3-T40 VanDerWaalsContact O-OG1 3.08Å; G4-T40 WeakPolarHBondContact CA-OG1 3.32Å; Y5-T40 PolarHBondContact N-OG1 3.15Å; Y5-T40 WeakPolarHBondContact O-CB 3.36Å; Y5-T40 VanDerWaalsContact O-CG2 3.27Å; Y5-T40 WeakPolarHBondContact O-CG2 3.33Å; Y5-T40 PolarHBondContact O-OG1 3.3Å; V7-T40 HydrophobicContact CG2-CG2 4.48Å; T40-G42 PolarHBondContact O-N 3.06Å; T40-L43 WeakPolarHBondContact O-CB 3.37Å; T40-L43 PolarHBondContact O-N 2.9Å; T40-F58 HydrophobicContact CG2-CB 3.91Å; T40-F58 HydrophobicContact CG2-CD1 3.4Å; T40-F58 HydrophobicContact CG2-CE1 4.34Å; T40-F58 HydrophobicContact CG2-CG 4.03Å | ||
| 41 | D | 84.5 | Confident | 92.2 | Very high | 60 Ų | 60 | 61 Ų | 61 | 32% | 0.321 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | 30.7 | 179.3 | -161.2 | 31.8 | 0 | 0 | 0 | 115.2 | L43 H66 | D41-L43 PolarHBondContact O-N 3.45Å; D41-H66 IonicContact OD1-ND1 3.82Å; D41-H66 PolarHBondContact OD1-ND1 3.43Å |
| 42 | G | 86.7 | Confident | 91.9 | Very high | 6 Ų | 6 | 66.5 Ų | 66.5 | 6% | 0.062 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.1 | 4.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | T40 H44 | T40-G42 PolarHBondContact O-N 3.06Å; G42-H44 PolarHBondContact O-N 3.34Å; G42-H44 PolarHBondContact O-ND1 3.04Å |
| 43 | L | 90.4 | Very high | 91.8 | Very high | 68 Ų | 68 | 61 Ų | 61 | 36% | 0.356 | 30% | 0.304 | S | S | . | . | trans | -70.8 | 117.1 | 172.6 | -62.7 | 176.3 | 0 | 0 | 0 | 109.1 | F3 Y5 T40 D41 | F3-L43 WeakPolarHBondContact CD1-O 3.39Å; Y5-L43 HydrophobicContact CD2-CD1 3.89Å; Y5-L43 HydrophobicContact CE2-CD1 3.64Å; T40-L43 WeakPolarHBondContact O-CB 3.37Å; T40-L43 PolarHBondContact O-N 2.9Å; D41-L43 PolarHBondContact O-N 3.45Å | ||
| 44 | H | 92.4 | Very high | 91.8 | Very high | 28 Ų | 28 | 55 Ų | 55 | 13% | 0.13 | 28% | 0.279 | C | S | . | . | trans | -149.6 | 157.3 | -177.2 | 65.1 | -73.8 | 0 | 0 | 0 | 111.7 | I39 G42 W55 T71 L72 K75 | I39-H44 HydrophobicContact CD1-CB 3.8Å; I39-H44 HydrophobicContact CG2-CB 4.37Å; G42-H44 PolarHBondContact O-N 3.34Å; G42-H44 PolarHBondContact O-ND1 3.04Å; H44-W55 HydrophobicContact CB-CE3 4.35Å; H44-W55 HydrophobicContact CB-CH2 3.88Å; H44-W55 HydrophobicContact CB-CZ3 3.63Å; H44-W55 AromaticContact CD2-CH2 3.74Å; H44-W55 AromaticContact CD2-CZ3 3.59Å; H44-W55 AromaticContact CG-CZ3 3.88Å; H44-T71 PolarHBondContact CE1-OG1 3.09Å; H44-L72 HydrophobicContact CB-CD2 4.15Å; H44-K75 PolarHBondContact NE2-NZ 3.24Å | ||
| 45 | P | 93.2 | Very high | 91.8 | Very high | 9 Ų | 9 | 55 Ų | 55 | 6% | 0.058 | 28% | 0.278 | C | S | . | . | trans | -58.2 | 140.4 | 173.1 | -21.5 | 30.4 | 0 | 0 | 0 | 112.2 | F3 W31 L37 W55 | F3-P45 HydrophobicContact CD2-CG 4.13Å; F3-P45 HydrophobicContact CE1-CG 4.18Å; F3-P45 HydrophobicContact CE2-CG 3.67Å; F3-P45 HydrophobicContact CZ-CB 4.34Å; F3-P45 HydrophobicContact CZ-CG 3.69Å; W31-P45 HydrophobicContact CD2-CB 3.88Å; W31-P45 HydrophobicContact CD2-CG 3.49Å; W31-P45 VanDerWaalsContact CD2-CG 3.49Å; W31-P45 HydrophobicContact CE3-CB 4.06Å; W31-P45 HydrophobicContact CE3-CG 3.55Å; W31-P45 HydrophobicContact CG-CG 3.94Å; W31-P45 HydrophobicContact CH2-CB 3.88Å; W31-P45 HydrophobicContact CH2-CG 4.29Å; W31-P45 HydrophobicContact CZ2-CB 3.72Å; W31-P45 HydrophobicContact CZ2-CG 4.27Å; W31-P45 HydrophobicContact CZ3-CB 4.05Å; W31-P45 HydrophobicContact CZ3-CG 3.95Å; L37-P45 HydrophobicContact CD2-CG 3.82Å; P45-W55 HydrophobicContact CB-CZ2 4.36Å; P45-W55 HydrophobicContact CG-CZ2 4.02Å | ||
| 46 | L | 90 | Very high | 91.7 | Very high | 169 Ų | 169 | 50.3 Ų | 50.3 | 89% | 0.885 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -80.7 | -18.7 | 175.7 | -60.2 | 179.6 | 0 | 0 | 0 | 113.1 | ||
| 47 | L | 90.8 | Very high | 91.6 | Very high | 108 Ų | 108 | 49.7 Ų | 49.7 | 57% | 0.565 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -86.2 | 158.4 | -178.4 | -58.2 | 176.8 | 0 | 0 | 0 | 111.6 | W31 R32 R49 | W31-L47 HydrophobicContact CH2-CB 4.41Å; W31-L47 HydrophobicContact CZ2-CB 4.05Å; R32-L47 VanDerWaalsContact NH2-CD1 3.33Å; L47-R49 PolarHBondContact O-N 2.88Å |
| 48 | K | 89.7 | Confident | 91.3 | Very high | 166 Ų | 166 | 49.8 Ų | 49.8 | 72% | 0.722 | 25% | 0.25 | S | C | * | . | P | Polyproline II helix | trans | -57.2 | 128.5 | 176.8 | -169.9 | 178.6 | -179.7 | -176.6 | 0 | 111.4 | R32 | R32-K48 PolarHBondContact NH1-O 3.34Š|
| 49 | R | 90.9 | Very high | 90.9 | Very high | 51 Ų | 51 | 49.7 Ų | 49.7 | 19% | 0.192 | 25% | 0.25 | C | C | . | . | P | Polyproline II helix | trans | -63.4 | 137.6 | 175.6 | -178 | 170.8 | 77.4 | -152.1 | -3.5 | 111.6 | L47 Q53 W55 K75 N77 | L47-R49 PolarHBondContact O-N 2.88Å; R49-Q53 WeakPolarHBondContact CD-O 3.35Å; R49-Q53 HydrophobicContact CG-CB 3.8Å; R49-Q53 HydrophobicContact CG-CG 3.97Å; R49-Q53 PolarHBondContact NE-O 3Å; R49-W55 HydrophobicContact CB-CZ2 4.24Å; R49-K75 PolarHBondContact NH1-O 2.97Å; R49-N77 PolarHBondContact NH1-OD1 2.83Å; R49-N77 PolarHBondContact NH2-ND2 3.24Å; R49-N77 VanDerWaalsContact NH2-ND2 3.18Å; R49-N77 PolarHBondContact NH2-OD1 2.74Å; R49-N77 VanDerWaalsContact NH2-OD1 3.09Å |
| 50 | P | 93 | Very high | 90.3 | Very high | 40 Ų | 40 | 50.1 Ų | 50.1 | 26% | 0.26 | 25% | 0.251 | S | S | . | . | P | Polyproline II helix | trans | -56.6 | 149.6 | 169.9 | -23.9 | 33.6 | 0 | 0 | 0 | 112.9 | R32 N52 Q53 | R32-P50 HydrophobicContact CB-CG 4.39Å; P50-N52 VanDerWaalsContact C-N 3.29Å; P50-N52 PolarHBondContact O-N 2.72Å; P50-Q53 HydrophobicContact CB-CB 4.14Å; P50-Q53 HydrophobicContact CG-CB 4.35Å; P50-Q53 PolarHBondContact O-N 3.08Å; P50-Q53 VanDerWaalsContact O-N 3.17Å |
| 51 | H | 87.7 | Confident | 90.1 | Very high | 171 Ų | 171 | 54.1 Ų | 54.1 | 79% | 0.792 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -34.1 | -175.1 | -79.7 | -81.6 | 0 | 0 | 0 | 114.4 | ||
| 52 | N | 89.6 | Confident | 90.1 | Very high | 139 Ų | 139 | 51.3 Ų | 51.3 | 74% | 0.743 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | 7.9 | -177.5 | -61.9 | -15 | 0 | 0 | 0 | 113.4 | P50 | P50-N52 VanDerWaalsContact C-N 3.29Å; P50-N52 PolarHBondContact O-N 2.72Å |
| 53 | Q | 93.5 | Very high | 89.7 | Confident | 8 Ų | 8 | 51.7 Ų | 51.7 | 4% | 0.037 | 26% | 0.256 | C | S | . | . | trans | -96.8 | 135.9 | 178.2 | 179.1 | 177.7 | 101.1 | 0 | 0 | 110.4 | W31 A34 D35 R49 P50 | W31-Q53 PolarHBondContact O-NE2 3.05Å; A34-Q53 WeakPolarHBondContact O-CG 3.41Å; A34-Q53 PolarHBondContact O-NE2 3Å; D35-Q53 CarbonylContact O-C 3.57Å; D35-Q53 WeakPolarHBondContact O-CA 3.32Å; R49-Q53 WeakPolarHBondContact CD-O 3.35Å; R49-Q53 HydrophobicContact CG-CB 3.8Å; R49-Q53 HydrophobicContact CG-CG 3.97Å; R49-Q53 PolarHBondContact NE-O 3Å; P50-Q53 HydrophobicContact CB-CB 4.14Å; P50-Q53 HydrophobicContact CG-CB 4.35Å; P50-Q53 PolarHBondContact O-N 3.08Å; P50-Q53 VanDerWaalsContact O-N 3.17Å | ||
| 54 | A | 94.8 | Very high | 88.7 | Confident | 6 Ų | 6 | 50 Ų | 50 | 5% | 0.05 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 148 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | D35 L36 L37 N77 F78 L276 | D35-A54 PolarHBondContact O-N 2.93Å; L36-A54 WeakPolarHBondContact CA-O 3.18Å; L36-A54 HydrophobicContact CD1-CB 3.95Å; L37-A54 PolarHBondContact N-O 2.86Å; A54-N77 WeakPolarHBondContact CA-OD1 3.33Å; A54-N77 HydrophobicContact CB-CB 4.24Å; A54-F78 HydrophobicContact CB-CD2 4.1Å; A54-F78 HydrophobicContact CB-CE2 3.81Å; A54-L276 HydrophobicContact CB-CD1 3.92Å; A54-L276 HydrophobicContact CB-CD2 3.62Å; A54-L276 HydrophobicContact CB-CG 4.45Å |
| 55 | W | 94.9 | Very high | 87.5 | Confident | 9 Ų | 9 | 53.7 Ų | 53.7 | 3% | 0.034 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 133.6 | 174.1 | -67.6 | 3.3 | 0 | 0 | 0 | 110.3 | L37 I39 H44 P45 R49 K75 I76 N77 F78 | L37-W55 HydrophobicContact CB-CG 4.3Å; L37-W55 HydrophobicContact CD2-CZ2 4.42Å; L37-W55 WeakPolarHBondContact O-CA 3.49Å; I39-W55 HydrophobicContact CD1-CD2 4.03Å; I39-W55 HydrophobicContact CD1-CE3 4.08Å; I39-W55 HydrophobicContact CD1-CG 4.32Å; I39-W55 HydrophobicContact CG1-CB 3.95Å; I39-W55 HydrophobicContact CG1-CD2 4.06Å; I39-W55 HydrophobicContact CG1-CE3 4Å; I39-W55 HydrophobicContact CG1-CG 4.07Å; H44-W55 HydrophobicContact CB-CE3 4.35Å; H44-W55 HydrophobicContact CB-CH2 3.88Å; H44-W55 HydrophobicContact CB-CZ3 3.63Å; H44-W55 AromaticContact CD2-CH2 3.74Å; H44-W55 AromaticContact CD2-CZ3 3.59Å; H44-W55 AromaticContact CG-CZ3 3.88Å; P45-W55 HydrophobicContact CB-CZ2 4.36Å; P45-W55 HydrophobicContact CG-CZ2 4.02Å; R49-W55 HydrophobicContact CB-CZ2 4.24Å; W55-K75 HydrophobicContact CE3-CB 3.87Å; W55-K75 HydrophobicContact CZ3-CB 3.84Å; W55-K75 HydrophobicContact CZ3-CD 3.92Å; W55-K75 HydrophobicContact CZ3-CG 4.36Å; W55-I76 HydrophobicContact CB-CD1 4.18Å; W55-N77 PolarHBondContact N-OD1 3.49Å; W55-N77 WeakPolarHBondContact O-CB 3.32Å; W55-N77 PolarHBondContact O-N 2.03Å; W55-F78 PolarHBondContact O-N 2.8Å |
| 56 | I | 94.1 | Very high | 86.4 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 128.1 | 173 | -174.6 | 164.1 | 0 | 0 | 0 | 109.8 | L36 L37 L38 I39 F58 F78 E80 I88 F269 L272 | L36-I56 HydrophobicContact CD1-CB 4.45Å; L36-I56 HydrophobicContact CD1-CG2 4.34Å; L36-I56 HydrophobicContact CD2-CG2 4.47Å; L36-I56 HydrophobicContact CG-CG2 4.3Å; L37-I56 PolarHBondContact O-N 2.92Å; L38-I56 HydrophobicContact CB-CG2 4.11Å; L38-I56 HydrophobicContact CD2-CG2 3.16Å; L38-I56 HydrophobicContact CG-CG2 4.2Å; I39-I56 PolarHBondContact N-O 2.88Å; I56-F58 PolarHBondContact O-N 3.04Å; I56-F78 CarbonylContact C-O 3.52Å; I56-F78 VanDerWaalsContact CA-O 3.24Å; I56-F78 WeakPolarHBondContact CA-O 3.5Å; I56-F78 HydrophobicContact CB-CB 4.23Å; I56-F78 HydrophobicContact CD1-CB 4.16Å; I56-F78 HydrophobicContact CG1-CB 4.06Å; I56-F78 WeakPolarHBondContact CG1-O 3.44Å; I56-E80 HydrophobicContact CD1-CB 3.72Å; I56-E80 HydrophobicContact CG1-CB 4.01Å; I56-I88 HydrophobicContact CD1-CD1 3.8Å; I56-I88 HydrophobicContact CD1-CG1 4.4Å; I56-F269 HydrophobicContact CD1-CD1 4.22Å; I56-F269 HydrophobicContact CD1-CE1 3.84Å; I56-L272 HydrophobicContact CD1-CD2 4.19Å |
| 57 | G | 92.6 | Very high | 85.2 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 109 | 170.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | F78 E80 | G57-F78 PolarHBondContact N-O 2.85Å; G57-E80 PolarHBondContact O-N 2.85Å |
| 58 | F | 90.9 | Very high | 84.7 | Confident | 1 Ų | 1 | 50 Ų | 50 | 0% | 0.004 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 98.6 | -174 | -175.6 | -141.1 | 0 | 0 | 0 | 108.8 | V7 T8 L38 I39 T40 I56 E80 L265 F269 | V7-F58 HydrophobicContact CG2-CD1 4.44Å; V7-F58 HydrophobicContact CG2-CE1 4.35Å; T8-F58 WeakPolarHBondContact OG1-CZ 3.13Å; L38-F58 HydrophobicContact CB-CB 4.01Å; L38-F58 HydrophobicContact CB-CD1 3.9Å; L38-F58 HydrophobicContact CB-CG 4.12Å; L38-F58 HydrophobicContact CD1-CD1 4.34Å; L38-F58 HydrophobicContact CD1-CE1 4.39Å; I39-F58 PolarHBondContact O-N 3.18Å; T40-F58 HydrophobicContact CG2-CB 3.91Å; T40-F58 HydrophobicContact CG2-CD1 3.4Å; T40-F58 HydrophobicContact CG2-CE1 4.34Å; T40-F58 HydrophobicContact CG2-CG 4.03Å; I56-F58 PolarHBondContact O-N 3.04Å; F58-E80 HydrophobicContact CD2-CB 4.11Å; F58-E80 VanDerWaalsContact CD2-CD 3.43Å; F58-E80 HydrophobicContact CD2-CG 3.92Å; F58-E80 WeakPolarHBondContact CD2-OE2 3.37Å; F58-E80 HydrophobicContact CE2-CG 4.17Å; F58-E80 WeakPolarHBondContact CE2-OE2 3.49Å; F58-L265 HydrophobicContact CE2-CD1 3.87Å; F58-L265 HydrophobicContact CZ-CD1 4.2Å; F58-F269 AromaticContact CD2-CZ 3.95Å; F58-F269 HydrophobicContact CD2-CZ 3.95Å; F58-F269 HydrophobicContact CE2-CE2 4.29Å; F58-F269 AromaticContact CE2-CZ 3.8Å; F58-F269 HydrophobicContact CE2-CZ 3.8Å; F58-F269 HydrophobicContact CZ-CE2 4.46Å; F58-F269 HydrophobicContact CZ-CZ 4.4Å |
| 59 | S | 84.4 | Confident | 84.5 | Confident | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.014 | 21% | 0.208 | C | C | . | . | trans | -147 | 120.1 | -166.6 | 179.7 | 0 | 0 | 0 | 0 | 112.1 | H66 E80 S81 Y287 | S59-H66 PolarHBondContact OG-CD2 3.19Å; S59-H66 PolarHBondContact OG-NE2 2.99Å; S59-E80 PolarHBondContact N-O 3.11Å; S59-E80 PolarHBondContact N-OE2 2.98Å; S59-S81 WeakPolarHBondContact O-CA 3.38Å; S59-S81 PolarHBondContact O-OG 3.44Å; S59-Y287 VanDerWaalsContact CB-OH 3.32Å; S59-Y287 WeakPolarHBondContact CB-OH 3.3Å | ||
| 60 | Y | 82.5 | Confident | 84.2 | Confident | 12 Ų | 12 | 45.2 Ų | 45.2 | 5% | 0.047 | 23% | 0.225 | C | C | . | . | trans | -112.3 | -21.4 | -173.3 | -151.7 | -103.2 | 0 | 0 | 0 | 114.9 | T8 T90 Y92 W261 | T8-Y60 HydrophobicContact CG2-CD1 3.6Å; T8-Y60 HydrophobicContact CG2-CD2 3.34Å; T8-Y60 HydrophobicContact CG2-CE1 4.23Å; T8-Y60 HydrophobicContact CG2-CE2 3.96Å; T8-Y60 HydrophobicContact CG2-CG 3.1Å; Y60-T90 WeakPolarHBondContact CE2-O 3.3Å; Y60-T90 PolarHBondContact OH-O 2.79Å; Y60-Y92 HydrophobicContact CD1-CD2 4.48Å; Y60-Y92 AromaticContact CD1-CE1 3.92Å; Y60-Y92 HydrophobicContact CD1-CE1 3.92Å; Y60-Y92 AromaticContact CD1-CE2 3.7Å; Y60-Y92 HydrophobicContact CD1-CE2 3.7Å; Y60-Y92 AromaticContact CD1-CZ 3.36Å; Y60-Y92 VanDerWaalsContact CD1-OH 3.24Å; Y60-Y92 WeakPolarHBondContact CD1-OH 3.28Å; Y60-Y92 AromaticContact CE1-CD1 3.66Å; Y60-Y92 HydrophobicContact CE1-CD1 3.66Å; Y60-Y92 AromaticContact CE1-CD2 3.6Å; Y60-Y92 HydrophobicContact CE1-CD2 3.6Å; Y60-Y92 AromaticContact CE1-CE1 3.36Å; Y60-Y92 HydrophobicContact CE1-CE1 3.36Å; Y60-Y92 AromaticContact CE1-CE2 3.23Å; Y60-Y92 HydrophobicContact CE1-CE2 3.23Å; Y60-Y92 AromaticContact CE1-CG 3.77Å; Y60-Y92 HydrophobicContact CE1-CG 3.77Å; Y60-Y92 AromaticContact CE1-CZ 3.1Å; Y60-Y92 AromaticContact CZ-CD2 3.79Å; Y60-Y92 AromaticContact CZ-CE2 3.81Å; Y60-Y92 PolarHBondContact O-OH 3.41Å; Y60-Y92 VanDerWaalsContact OH-CA 3.24Å; Y60-Y92 WeakPolarHBondContact OH-CA 2.95Å; Y60-W261 AromaticContact CD1-CH2 3.73Å; Y60-W261 HydrophobicContact CD1-CH2 3.73Å; Y60-W261 AromaticContact CD1-CZ3 3.76Å; Y60-W261 HydrophobicContact CD1-CZ3 3.76Å; Y60-W261 HydrophobicContact CE1-CE3 4.01Å; Y60-W261 AromaticContact CE1-CH2 3.04Å; Y60-W261 HydrophobicContact CE1-CH2 3.04Å; Y60-W261 HydrophobicContact CE1-CZ2 4.1Å; Y60-W261 AromaticContact CE1-CZ3 2.96Å; Y60-W261 HydrophobicContact CE1-CZ3 2.96Å; Y60-W261 HydrophobicContact CE2-CZ3 4.28Å; Y60-W261 AromaticContact CZ-CE3 3.92Å; Y60-W261 AromaticContact CZ-CH2 3.81Å; Y60-W261 AromaticContact CZ-CZ3 3.26Å; Y60-W261 VanDerWaalsContact OH-CZ3 3.27Å; Y60-W261 WeakPolarHBondContact OH-CZ3 3.46Å | ||
| 61 | E | 86.8 | Confident | 84 | Confident | 84 Ų | 84 | 46.8 Ų | 46.8 | 39% | 0.393 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -91.7 | 165.3 | 174.6 | -68.3 | -163.6 | -157.9 | 0 | 0 | 111.4 | K65 | E61-K65 HydrophobicContact CB-CB 4.12Å; E61-K65 HydrophobicContact CB-CG 4.17Å; E61-K65 VanDerWaalsContact OE2-CD 3.24Å; E61-K65 WeakPolarHBondContact OE2-CD 3.41Å; E61-K65 VanDerWaalsContact OE2-CE 3.29Å; E61-K65 WeakPolarHBondContact OE2-CE 3.18Å; E61-K65 WeakPolarHBondContact OE2-CG 3.01Å |
| 62 | S | 84.1 | Confident | 84.1 | Confident | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.007 | 20% | 0.197 | C | C | . | . | trans | -59.7 | 155.1 | 174 | 76.4 | 0 | 0 | 0 | 0 | 111.7 | S64 K65 N180 | S62-S64 PolarHBondContact O-N 2.87Å; S62-S64 PolarHBondContact OG-OG 2.02Å; S62-K65 WeakPolarHBondContact O-CB 3.43Å; S62-K65 PolarHBondContact O-N 3.28Å; S62-K65 VanDerWaalsContact O-N 3.12Å; S62-N180 PolarHBondContact OG-OD1 3.35Å; S62-N180 VanDerWaalsContact OG-OD1 3.05Å | ||
| 63 | P | 78.5 | Confident | 84 | Confident | 14 Ų | 14 | 38.5 Ų | 38.5 | 9% | 0.091 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -51.1 | -26.8 | 179.2 | -25.7 | 28.6 | 0 | 0 | 0 | 116 | K65 H66 L291 A292 C295 | P63-K65 PolarHBondContact O-N 3.05Å; P63-H66 PolarHBondContact O-N 3.35Å; P63-L291 HydrophobicContact CB-CD2 4.24Å; P63-L291 HydrophobicContact CB-CG 4.48Å; P63-L291 VanDerWaalsContact CG-C 3.48Å; P63-L291 HydrophobicContact CG-CB 4.33Å; P63-L291 HydrophobicContact CG-CD2 4.14Å; P63-L291 HydrophobicContact CG-CG 3.94Å; P63-L291 WeakPolarHBondContact CG-O 3.27Å; P63-A292 HydrophobicContact CB-CB 4.41Å; P63-C295 WeakPolarHBondContact CD-SG 3.43Å; P63-C295 VanDerWaalsContact CG-SG 3.56Å |
| 64 | S | 69.3 | Low | 83.9 | Confident | 33 Ų | 33 | 42.2 Ų | 42.2 | 23% | 0.231 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -62.3 | -7.3 | -179.5 | 66.7 | 0 | 0 | 0 | 0 | 114.5 | S62 N180 | S62-S64 PolarHBondContact O-N 2.87Å; S62-S64 PolarHBondContact OG-OG 2.02Å; S64-N180 VanDerWaalsContact CB-ND2 3.34Å; S64-N180 WeakPolarHBondContact CB-ND2 3.43Å; S64-N180 PolarHBondContact OG-ND2 3.26Å; S64-N180 PolarHBondContact OG-OD1 3.49Å |
| 65 | K | 67 | Low | 83.7 | Confident | 105 Ų | 105 | 45.6 Ų | 45.6 | 46% | 0.457 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | -104.2 | -2.7 | 179.4 | -66.4 | -83.5 | -172 | 177.9 | 0 | 113.3 | E61 S62 P63 | E61-K65 HydrophobicContact CB-CB 4.12Å; E61-K65 HydrophobicContact CB-CG 4.17Å; E61-K65 VanDerWaalsContact OE2-CD 3.24Å; E61-K65 WeakPolarHBondContact OE2-CD 3.41Å; E61-K65 VanDerWaalsContact OE2-CE 3.29Å; E61-K65 WeakPolarHBondContact OE2-CE 3.18Å; E61-K65 WeakPolarHBondContact OE2-CG 3.01Å; S62-K65 WeakPolarHBondContact O-CB 3.43Å; S62-K65 PolarHBondContact O-N 3.28Å; S62-K65 VanDerWaalsContact O-N 3.12Å; P63-K65 PolarHBondContact O-N 3.05Å |
| 66 | H | 69 | Low | 83.6 | Confident | 10 Ų | 10 | 45.1 Ų | 45.1 | 5% | 0.046 | 22% | 0.221 | C | C | . | . | trans | -125.3 | 50.3 | -163.1 | -69.1 | -49.2 | 0 | 0 | 0 | 113.5 | D41 S59 P63 G68 T69 L291 | D41-H66 IonicContact OD1-ND1 3.82Å; D41-H66 PolarHBondContact OD1-ND1 3.43Å; S59-H66 PolarHBondContact OG-CD2 3.19Å; S59-H66 PolarHBondContact OG-NE2 2.99Å; P63-H66 PolarHBondContact O-N 3.35Å; H66-G68 PolarHBondContact O-N 3.03Å; H66-T69 HydrophobicContact CB-CG2 3.73Å; H66-T69 WeakPolarHBondContact O-CB 3.48Å; H66-T69 PolarHBondContact O-N 3.25Å; H66-T69 VanDerWaalsContact O-N 3.14Å; H66-T69 PolarHBondContact O-OG1 3.17Å; H66-L291 HydrophobicContact CB-CD2 4.47Å | ||
| 67 | Y | 66.3 | Low | 83.6 | Confident | 173 Ų | 173 | 45.3 Ų | 45.3 | 68% | 0.678 | 22% | 0.222 | S | C | * | . | G | 310 helix | trans | -58.7 | -32.1 | 178 | -64.5 | -77 | 0 | 0 | 0 | 112.9 | T69 M70 | Y67-T69 PolarHBondContact O-N 2.77Å; Y67-M70 PolarHBondContact O-N 2.93Å |
| 68 | G | 79.2 | Confident | 83.7 | Confident | 26 Ų | 26 | 45.6 Ų | 45.6 | 27% | 0.268 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | -63.5 | -21.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | H66 M70 T71 | H66-G68 PolarHBondContact O-N 3.03Å; G68-M70 PolarHBondContact O-N 3.45Å; G68-T71 PolarHBondContact O-N 3.22Å; G68-T71 PolarHBondContact O-OG1 2.97Å |
| 69 | T | 85 | Confident | 83.8 | Confident | 3 Ų | 3 | 45.5 Ų | 45.5 | 2% | 0.018 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -67.6 | -19.8 | -176 | 60.3 | 0 | 0 | 0 | 0 | 113.7 | H66 Y67 T71 L72 Y287 H288 | H66-T69 HydrophobicContact CB-CG2 3.73Å; H66-T69 WeakPolarHBondContact O-CB 3.48Å; H66-T69 PolarHBondContact O-N 3.25Å; H66-T69 VanDerWaalsContact O-N 3.14Å; H66-T69 PolarHBondContact O-OG1 3.17Å; Y67-T69 PolarHBondContact O-N 2.77Å; T69-T71 PolarHBondContact O-N 3.48Å; T69-T71 VanDerWaalsContact O-N 3.11Å; T69-L72 HydrophobicContact CG2-CD1 4.16Å; T69-L72 VanDerWaalsContact O-CB 3.3Å; T69-L72 WeakPolarHBondContact O-CB 3.34Å; T69-L72 PolarHBondContact O-N 3.13Å; T69-Y287 HydrophobicContact CG2-CD1 4.39Å; T69-Y287 HydrophobicContact CG2-CE1 3.76Å; T69-H288 PolarHBondContact OG1-ND1 3Å |
| 70 | M | 85.5 | Confident | 84.2 | Confident | 113 Ų | 113 | 45.4 Ų | 45.4 | 56% | 0.557 | 22% | 0.222 | S | C | * | . | G | 310 helix | trans | -57 | -27.9 | 175.8 | -65 | 178.6 | 70.3 | 0 | 0 | 112.9 | Y67 G68 L72 | Y67-M70 PolarHBondContact O-N 2.93Å; G68-M70 PolarHBondContact O-N 3.45Å; M70-L72 VanDerWaalsContact C-N 3.3Å; M70-L72 PolarHBondContact O-N 3Å |
| 71 | T | 87.9 | Confident | 84.7 | Confident | 73 Ų | 73 | 44.9 Ų | 44.9 | 45% | 0.448 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -79.4 | -11.7 | 179.6 | 66.6 | 0 | 0 | 0 | 0 | 113.9 | H44 G68 T69 K75 | H44-T71 PolarHBondContact CE1-OG1 3.09Å; G68-T71 PolarHBondContact O-N 3.22Å; G68-T71 PolarHBondContact O-OG1 2.97Å; T69-T71 PolarHBondContact O-N 3.48Å; T69-T71 VanDerWaalsContact O-N 3.11Å; T71-K75 PolarHBondContact O-NZ 2.95Å |
| 72 | L | 89.8 | Confident | 84.9 | Confident | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -35.5 | -178.4 | -64 | 175.2 | 0 | 0 | 0 | 111.8 | I39 H44 T69 M70 D74 K75 I76 Y287 | I39-L72 HydrophobicContact CG2-CD1 3.87Å; I39-L72 HydrophobicContact CG2-CD2 3.69Å; I39-L72 HydrophobicContact CG2-CG 4.43Å; H44-L72 HydrophobicContact CB-CD2 4.15Å; T69-L72 HydrophobicContact CG2-CD1 4.16Å; T69-L72 VanDerWaalsContact O-CB 3.3Å; T69-L72 WeakPolarHBondContact O-CB 3.34Å; T69-L72 PolarHBondContact O-N 3.13Å; M70-L72 VanDerWaalsContact C-N 3.3Å; M70-L72 PolarHBondContact O-N 3Å; L72-D74 PolarHBondContact O-N 2.91Å; L72-K75 WeakPolarHBondContact O-CB 3.48Å; L72-K75 WeakPolarHBondContact O-CG 3.32Å; L72-K75 PolarHBondContact O-N 3.26Å; L72-I76 HydrophobicContact CB-CG1 4.17Å; L72-I76 HydrophobicContact CD1-CD1 4.06Å; L72-I76 HydrophobicContact CD1-CG1 4.08Å; L72-I76 HydrophobicContact CD2-CD1 4.37Å; L72-Y287 HydrophobicContact CB-CD1 4.35Å; L72-Y287 HydrophobicContact CD1-CD1 3.58Å; L72-Y287 HydrophobicContact CD1-CE1 3.75Å |
| 73 | K | 88.4 | Confident | 85.3 | Confident | 134 Ų | 134 | 41.5 Ų | 41.5 | 58% | 0.583 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 45.1 | -113.2 | -179 | -59.9 | -175.1 | 177 | -175 | 0 | 111.3 | Y287 | K73-Y287 PolarHBondContact O-N 3.47Š|
| 74 | D | 90.3 | Very high | 85.9 | Confident | 87 Ų | 87 | 43 Ų | 43 | 47% | 0.465 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97 | 8.3 | -178.8 | 64.1 | -23.6 | 0 | 0 | 0 | 114.3 | L72 I76 W283 Y284 | L72-D74 PolarHBondContact O-N 2.91Å; D74-I76 VanDerWaalsContact C-N 3.25Å; D74-I76 PolarHBondContact O-N 2.95Å; D74-W283 VanDerWaalsContact O-CE3 3.23Å; D74-W283 WeakPolarHBondContact O-CZ3 3.36Å; D74-Y284 WeakPolarHBondContact CA-O 3.36Å |
| 75 | K | 91.4 | Very high | 87 | Confident | 76 Ų | 76 | 44.3 Ų | 44.3 | 33% | 0.33 | 22% | 0.215 | S | C | . | . | trans | -71.6 | -17.8 | -177.7 | -63 | 171.5 | -172.9 | 160.4 | 0 | 113.6 | H44 R49 W55 T71 L72 | H44-K75 PolarHBondContact NE2-NZ 3.24Å; R49-K75 PolarHBondContact NH1-O 2.97Å; W55-K75 HydrophobicContact CE3-CB 3.87Å; W55-K75 HydrophobicContact CZ3-CB 3.84Å; W55-K75 HydrophobicContact CZ3-CD 3.92Å; W55-K75 HydrophobicContact CZ3-CG 4.36Å; T71-K75 PolarHBondContact O-NZ 2.95Å; L72-K75 WeakPolarHBondContact O-CB 3.48Å; L72-K75 WeakPolarHBondContact O-CG 3.32Å; L72-K75 PolarHBondContact O-N 3.26Å | ||
| 76 | I | 93.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -86.9 | 127.7 | -175.7 | -62.8 | -55.7 | 0 | 0 | 0 | 111 | I39 W55 L72 D74 F78 T79 Y287 | I39-I76 HydrophobicContact CB-CD1 4.11Å; I39-I76 HydrophobicContact CG1-CD1 4.1Å; I39-I76 HydrophobicContact CG2-CD1 4.3Å; W55-I76 HydrophobicContact CB-CD1 4.18Å; L72-I76 HydrophobicContact CB-CG1 4.17Å; L72-I76 HydrophobicContact CD1-CD1 4.06Å; L72-I76 HydrophobicContact CD1-CG1 4.08Å; L72-I76 HydrophobicContact CD2-CD1 4.37Å; D74-I76 VanDerWaalsContact C-N 3.25Å; D74-I76 PolarHBondContact O-N 2.95Å; I76-F78 WeakPolarHBondContact CG2-O 3.45Å; I76-T79 HydrophobicContact CG2-CG2 4.29Å; I76-Y287 HydrophobicContact CB-CD2 4.29Å; I76-Y287 HydrophobicContact CB-CG 4.18Å; I76-Y287 HydrophobicContact CG1-CD1 4.07Å; I76-Y287 HydrophobicContact CG1-CD2 4.21Å; I76-Y287 HydrophobicContact CG1-CG 3.78Å; I76-Y287 HydrophobicContact CG2-CD2 3.97Å; I76-Y287 HydrophobicContact CG2-CE2 4.49Å; I76-Y287 HydrophobicContact CG2-CG 4.35Å | ||
| 77 | N | 93.8 | Very high | 89.4 | Confident | 3 Ų | 3 | 42 Ų | 42 | 2% | 0.016 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -94.6 | -30.4 | 178.3 | -58.9 | 109.2 | 0 | 0 | 0 | 113.5 | R49 A54 W55 P281 T282 | R49-N77 PolarHBondContact NH1-OD1 2.83Å; R49-N77 PolarHBondContact NH2-ND2 3.24Å; R49-N77 VanDerWaalsContact NH2-ND2 3.18Å; R49-N77 PolarHBondContact NH2-OD1 2.74Å; R49-N77 VanDerWaalsContact NH2-OD1 3.09Å; A54-N77 WeakPolarHBondContact CA-OD1 3.33Å; A54-N77 HydrophobicContact CB-CB 4.24Å; W55-N77 PolarHBondContact N-OD1 3.49Å; W55-N77 WeakPolarHBondContact O-CB 3.32Å; W55-N77 PolarHBondContact O-N 2.03Å; N77-P281 HydrophobicContact CB-CB 3.74Å; N77-P281 WeakPolarHBondContact ND2-CB 3.2Å; N77-T282 CarbonylContact C-O 3.59Å; N77-T282 WeakPolarHBondContact CA-O 3.33Å; N77-T282 CarbonylContact O-C 3.44Å; N77-T282 PolarHBondContact O-N 3.25Å; N77-T282 VanDerWaalsContact O-N 3.14Å; N77-T282 PolarHBondContact O-OG1 2.72Å |
| 78 | F | 94.6 | Very high | 90.6 | Very high | 6 Ų | 6 | 34.5 Ų | 34.5 | 3% | 0.026 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 160.2 | -176.8 | -58.7 | -68.5 | 0 | 0 | 0 | 109 | A54 W55 I56 G57 I76 T87 L272 L276 I279 P281 | A54-F78 HydrophobicContact CB-CD2 4.1Å; A54-F78 HydrophobicContact CB-CE2 3.81Å; W55-F78 PolarHBondContact O-N 2.8Å; I56-F78 CarbonylContact C-O 3.52Å; I56-F78 VanDerWaalsContact CA-O 3.24Å; I56-F78 WeakPolarHBondContact CA-O 3.5Å; I56-F78 HydrophobicContact CB-CB 4.23Å; I56-F78 HydrophobicContact CD1-CB 4.16Å; I56-F78 HydrophobicContact CG1-CB 4.06Å; I56-F78 WeakPolarHBondContact CG1-O 3.44Å; G57-F78 PolarHBondContact N-O 2.85Å; I76-F78 WeakPolarHBondContact CG2-O 3.45Å; F78-T87 HydrophobicContact CB-CG2 4.13Å; F78-T87 HydrophobicContact CD1-CG2 3.63Å; F78-T87 HydrophobicContact CE1-CG2 4.5Å; F78-T87 HydrophobicContact CG-CG2 4.23Å; F78-L272 HydrophobicContact CB-CD2 4.11Å; F78-L272 HydrophobicContact CD1-CD1 4.31Å; F78-L272 HydrophobicContact CD2-CD1 4.33Å; F78-L272 HydrophobicContact CD2-CD2 3.91Å; F78-L272 HydrophobicContact CD2-CG 4.43Å; F78-L272 HydrophobicContact CE1-CD1 4.17Å; F78-L272 HydrophobicContact CE2-CD1 4.21Å; F78-L272 HydrophobicContact CG-CD1 4.37Å; F78-L272 HydrophobicContact CG-CD2 3.93Å; F78-L272 HydrophobicContact CZ-CD1 4.12Å; F78-L276 HydrophobicContact CD2-CD2 4.42Å; F78-L276 HydrophobicContact CE2-CD2 3.45Å; F78-L276 VanDerWaalsContact CE2-CD2 3.45Å; F78-L276 HydrophobicContact CZ-CD2 4Å; F78-I279 HydrophobicContact CE1-CD1 3.89Å; F78-I279 HydrophobicContact CE2-CD1 4.49Å; F78-I279 HydrophobicContact CZ-CD1 3.57Å; F78-I279 HydrophobicContact CZ-CG1 4.03Å; F78-P281 HydrophobicContact CZ-CB 4.38Å |
| 79 | T | 93 | Very high | 91.2 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 137.7 | 178.1 | 51.7 | 0 | 0 | 0 | 0 | 110.6 | I76 A86 T87 I88 Y284 Y287 W290 | I76-T79 HydrophobicContact CG2-CG2 4.29Å; T79-A86 WeakPolarHBondContact OG1-CA 3.44Å; T79-T87 PolarHBondContact N-OG1 3.43Å; T79-T87 WeakPolarHBondContact O-CA 3.02Å; T79-T87 VanDerWaalsContact O-CB 3.29Å; T79-T87 WeakPolarHBondContact O-CB 3.19Å; T79-T87 PolarHBondContact O-N 2.62Å; T79-T87 PolarHBondContact OG1-N 2.98Å; T79-I88 PolarHBondContact O-N 2.75Å; T79-Y284 HydrophobicContact CG2-CD2 4.01Å; T79-Y284 HydrophobicContact CG2-CE1 3.95Å; T79-Y284 HydrophobicContact CG2-CE2 3.39Å; T79-Y284 WeakPolarHBondContact CG2-OH 3.37Å; T79-Y284 PolarHBondContact OG1-OH 2.91Å; T79-Y287 HydrophobicContact CG2-CD2 3.78Å; T79-Y287 HydrophobicContact CG2-CE2 3.73Å; T79-W290 HydrophobicContact CG2-CE3 3.95Å; T79-W290 HydrophobicContact CG2-CH2 3.87Å; T79-W290 HydrophobicContact CG2-CZ2 4.44Å; T79-W290 HydrophobicContact CG2-CZ3 3.59Å |
| 80 | E | 93.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 128.1 | 163.3 | -177.3 | -80.2 | 173.2 | 0 | 0 | 107.1 | I56 G57 F58 S59 I88 T90 L265 F269 | I56-E80 HydrophobicContact CD1-CB 3.72Å; I56-E80 HydrophobicContact CG1-CB 4.01Å; G57-E80 PolarHBondContact O-N 2.85Å; F58-E80 HydrophobicContact CD2-CB 4.11Å; F58-E80 VanDerWaalsContact CD2-CD 3.43Å; F58-E80 HydrophobicContact CD2-CG 3.92Å; F58-E80 WeakPolarHBondContact CD2-OE2 3.37Å; F58-E80 HydrophobicContact CE2-CG 4.17Å; F58-E80 WeakPolarHBondContact CE2-OE2 3.49Å; S59-E80 PolarHBondContact N-O 3.11Å; S59-E80 PolarHBondContact N-OE2 2.98Å; E80-I88 WeakPolarHBondContact CA-O 3.44Å; E80-I88 HydrophobicContact CB-CB 4.25Å; E80-I88 HydrophobicContact CG-CB 4.22Å; E80-I88 HydrophobicContact CG-CG2 4.05Å; E80-T90 VanDerWaalsContact CD-OG1 3.26Å; E80-T90 HydrophobicContact CG-CG2 4.03Å; E80-T90 VanDerWaalsContact OE1-CB 3.22Å; E80-T90 WeakPolarHBondContact OE1-CB 3.25Å; E80-T90 WeakPolarHBondContact OE1-CG2 3.48Å; E80-T90 PolarHBondContact OE1-OG1 2.84Å; E80-L265 HydrophobicContact CG-CD2 3.83Å; E80-F269 HydrophobicContact CB-CE1 4.19Å; E80-F269 HydrophobicContact CB-CZ 4.49Å; E80-F269 HydrophobicContact CG-CE1 4.05Å; E80-F269 HydrophobicContact CG-CZ 4.05Å |
| 81 | S | 91.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -168.1 | 167.2 | 178.5 | -161.8 | 0 | 0 | 0 | 0 | 112.3 | S59 R83 I88 T90 | S59-S81 WeakPolarHBondContact O-CA 3.38Å; S59-S81 PolarHBondContact O-OG 3.44Å; S81-R83 PolarHBondContact O-N 3.18Å; S81-I88 PolarHBondContact N-O 2.92Å; S81-T90 VanDerWaalsContact C-OG1 3.24Å; S81-T90 PolarHBondContact O-N 3.27Å; S81-T90 PolarHBondContact O-OG1 2.97Å |
| 82 | Y | 91.7 | Very high | 92.1 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 0% | 0.004 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -60.2 | -19.9 | 166.2 | 65.3 | -99.8 | 0 | 0 | 0 | 113.3 | T90 K183 D184 Y185 | Y82-T90 WeakPolarHBondContact CA-O 3.29Å; Y82-K183 VanDerWaalsContact CE2-O 3.3Å; Y82-K183 WeakPolarHBondContact CE2-O 3.24Å; Y82-D184 HydrophobicContact CD2-CB 4.44Å; Y82-Y185 AromaticContact CD1-CD2 3.61Å; Y82-Y185 HydrophobicContact CD1-CD2 3.61Å; Y82-Y185 HydrophobicContact CD1-CE2 4.05Å; Y82-Y185 AromaticContact CD2-CD2 3.89Å; Y82-Y185 HydrophobicContact CD2-CD2 3.89Å; Y82-Y185 HydrophobicContact CD2-CG 4.46Å; Y82-Y185 AromaticContact CE1-CD2 3.42Å; Y82-Y185 HydrophobicContact CE1-CD2 3.42Å; Y82-Y185 VanDerWaalsContact CE1-CD2 3.42Å; Y82-Y185 AromaticContact CE1-CE2 3.92Å; Y82-Y185 HydrophobicContact CE1-CE2 3.92Å; Y82-Y185 HydrophobicContact CE1-CG 4.39Å; Y82-Y185 AromaticContact CE2-CD2 3.72Å; Y82-Y185 HydrophobicContact CE2-CD2 3.72Å; Y82-Y185 HydrophobicContact CE2-CG 4.08Å; Y82-Y185 AromaticContact CG-CD2 3.85Å; Y82-Y185 HydrophobicContact CG-CD2 3.85Å; Y82-Y185 AromaticContact CZ-CD2 3.48Å; Y82-Y185 VanDerWaalsContact CZ-CD2 3.48Å |
| 83 | R | 91.8 | Very high | 92.4 | Very high | 13 Ų | 13 | 30.6 Ų | 30.6 | 5% | 0.049 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -66.9 | 134.5 | 179.3 | -71.1 | -178.9 | 58.2 | 149.9 | -6.8 | 111.4 | S81 D85 A86 W290 | S81-R83 PolarHBondContact O-N 3.18Å; R83-D85 WeakPolarHBondContact CB-OD1 3.14Å; R83-D85 IonicContact CZ-OD1 3.14Å; R83-D85 VanDerWaalsContact CZ-OD1 3.32Å; R83-D85 IonicContact CZ-OD2 3.08Å; R83-D85 IonicContact NE-OD1 2.82Å; R83-D85 PolarHBondContact NE-OD1 2.88Å; R83-D85 IonicContact NE-OD2 3.32Å; R83-D85 VanDerWaalsContact NH2-CG 3.32Å; R83-D85 IonicContact NH2-OD1 3.83Å; R83-D85 PolarHBondContact NH2-OD1 2.8Å; R83-D85 VanDerWaalsContact NH2-OD1 3.08Å; R83-D85 IonicContact NH2-OD2 2.74Å; R83-D85 PolarHBondContact NH2-OD2 2.77Å; R83-D85 PolarHBondContact O-N 3.15Å; R83-A86 VanDerWaalsContact O-CB 3.26Å; R83-A86 WeakPolarHBondContact O-CB 3.46Å; R83-A86 PolarHBondContact O-N 2.71Å; R83-A86 VanDerWaalsContact O-N 3.11Å; R83-W290 HydrophobicContact CB-CH2 4.37Å; R83-W290 HydrophobicContact CB-CZ2 4.15Å; R83-W290 PolarHBondContact NH1-O 3.28Å |
| 84 | L | 91.8 | Very high | 92.7 | Very high | 46 Ų | 46 | 27.7 Ų | 27.7 | 24% | 0.241 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -6.5 | -178.5 | -57.6 | -176.4 | 0 | 0 | 0 | 113.3 | Q89 D184 I214 | L84-Q89 PolarHBondContact O-NE2 3.28Å; L84-D184 HydrophobicContact CG-CB 4.24Å; L84-D184 PolarHBondContact N-OD2 2.92Å; L84-I214 HydrophobicContact CD1-CG2 4.42Å |
| 85 | D | 92.3 | Very high | 93 | Very high | 60 Ų | 60 | 25 Ų | 25 | 32% | 0.321 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | 14.5 | 171.2 | 62.4 | 9.1 | 0 | 0 | 0 | 113.3 | R83 K183 W290 | R83-D85 WeakPolarHBondContact CB-OD1 3.14Å; R83-D85 IonicContact CZ-OD1 3.14Å; R83-D85 VanDerWaalsContact CZ-OD1 3.32Å; R83-D85 IonicContact CZ-OD2 3.08Å; R83-D85 IonicContact NE-OD1 2.82Å; R83-D85 PolarHBondContact NE-OD1 2.88Å; R83-D85 IonicContact NE-OD2 3.32Å; R83-D85 VanDerWaalsContact NH2-CG 3.32Å; R83-D85 IonicContact NH2-OD1 3.83Å; R83-D85 PolarHBondContact NH2-OD1 2.8Å; R83-D85 VanDerWaalsContact NH2-OD1 3.08Å; R83-D85 IonicContact NH2-OD2 2.74Å; R83-D85 PolarHBondContact NH2-OD2 2.77Å; R83-D85 PolarHBondContact O-N 3.15Å; D85-K183 IonicContact OD2-NZ 2.78Å; D85-K183 PolarHBondContact OD2-NZ 2.85Å; D85-W290 WeakPolarHBondContact OD1-CZ2 3.13Å; D85-W290 PolarHBondContact OD1-NE1 3.24Å |
| 86 | A | 92.9 | Very high | 93.2 | Very high | 8 Ų | 8 | 25.3 Ų | 25.3 | 7% | 0.066 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -75.8 | 156.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | T79 R83 I88 W290 | T79-A86 WeakPolarHBondContact OG1-CA 3.44Å; R83-A86 VanDerWaalsContact O-CB 3.26Å; R83-A86 WeakPolarHBondContact O-CB 3.46Å; R83-A86 PolarHBondContact O-N 2.71Å; R83-A86 VanDerWaalsContact O-N 3.11Å; A86-I88 VanDerWaalsContact C-N 3.35Å; A86-I88 WeakPolarHBondContact CB-O 3.42Å; A86-W290 HydrophobicContact CB-CH2 4.02Å; A86-W290 HydrophobicContact CB-CZ2 4.18Å |
| 87 | T | 93.1 | Very high | 93.4 | Very high | 59 Ų | 59 | 26.9 Ų | 26.9 | 36% | 0.362 | 14% | 0.137 | S | C | . | . | S | Bend | trans | -60.7 | -45.9 | 173.7 | -48.5 | 0 | 0 | 0 | 0 | 111.1 | F78 T79 | F78-T87 HydrophobicContact CB-CG2 4.13Å; F78-T87 HydrophobicContact CD1-CG2 3.63Å; F78-T87 HydrophobicContact CE1-CG2 4.5Å; F78-T87 HydrophobicContact CG-CG2 4.23Å; T79-T87 PolarHBondContact N-OG1 3.43Å; T79-T87 WeakPolarHBondContact O-CA 3.02Å; T79-T87 VanDerWaalsContact O-CB 3.29Å; T79-T87 WeakPolarHBondContact O-CB 3.19Å; T79-T87 PolarHBondContact O-N 2.62Å; T79-T87 PolarHBondContact OG1-N 2.98Å |
| 88 | I | 92.9 | Very high | 93.6 | Very high | 16 Ų | 16 | 33 Ų | 33 | 8% | 0.082 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 117 | 173.9 | -63.4 | 176.5 | 0 | 0 | 0 | 107.2 | I56 T79 E80 S81 A86 T90 L265 D268 F269 L272 | I56-I88 HydrophobicContact CD1-CD1 3.8Å; I56-I88 HydrophobicContact CD1-CG1 4.4Å; T79-I88 PolarHBondContact O-N 2.75Å; E80-I88 WeakPolarHBondContact CA-O 3.44Å; E80-I88 HydrophobicContact CB-CB 4.25Å; E80-I88 HydrophobicContact CG-CB 4.22Å; E80-I88 HydrophobicContact CG-CG2 4.05Å; S81-I88 PolarHBondContact N-O 2.92Å; A86-I88 VanDerWaalsContact C-N 3.35Å; A86-I88 WeakPolarHBondContact CB-O 3.42Å; I88-T90 HydrophobicContact CG2-CG2 4.28Å; I88-L265 HydrophobicContact CG2-CD2 3.9Å; I88-D268 HydrophobicContact CD1-CB 3.97Å; I88-D268 HydrophobicContact CG1-CB 4.4Å; I88-D268 HydrophobicContact CG2-CB 3.89Å; I88-F269 HydrophobicContact CD1-CD1 3.53Å; I88-F269 HydrophobicContact CD1-CE1 3.76Å; I88-L272 HydrophobicContact CD1-CB 4.46Å; I88-L272 HydrophobicContact CD1-CD2 3.88Å |
| 89 | Q | 91.7 | Very high | 93.7 | Very high | 100 Ų | 100 | 35.6 Ų | 35.6 | 47% | 0.467 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 124.6 | -177 | -60.3 | 175.9 | 21.4 | 0 | 0 | 110.4 | L84 P91 | L84-Q89 PolarHBondContact O-NE2 3.28Å; Q89-P91 VanDerWaalsContact C-CD 3.49Å |
| 90 | T | 91.5 | Very high | 93.8 | Very high | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.012 | 21% | 0.213 | C | C | . | . | trans | -131 | 64.8 | 178.5 | 52.2 | 0 | 0 | 0 | 0 | 112.2 | Y60 E80 S81 Y82 I88 L265 | Y60-T90 WeakPolarHBondContact CE2-O 3.3Å; Y60-T90 PolarHBondContact OH-O 2.79Å; E80-T90 VanDerWaalsContact CD-OG1 3.26Å; E80-T90 HydrophobicContact CG-CG2 4.03Å; E80-T90 VanDerWaalsContact OE1-CB 3.22Å; E80-T90 WeakPolarHBondContact OE1-CB 3.25Å; E80-T90 WeakPolarHBondContact OE1-CG2 3.48Å; E80-T90 PolarHBondContact OE1-OG1 2.84Å; S81-T90 VanDerWaalsContact C-OG1 3.24Å; S81-T90 PolarHBondContact O-N 3.27Å; S81-T90 PolarHBondContact O-OG1 2.97Å; Y82-T90 WeakPolarHBondContact CA-O 3.29Å; I88-T90 HydrophobicContact CG2-CG2 4.28Å; T90-L265 HydrophobicContact CG2-CD1 4.15Å; T90-L265 HydrophobicContact CG2-CD2 3.21Å; T90-L265 HydrophobicContact CG2-CG 3.78Å | ||
| 91 | P | 92.3 | Very high | 93.9 | Very high | 22 Ų | 22 | 47.4 Ų | 47.4 | 14% | 0.143 | 25% | 0.247 | C | C | . | . | trans | -59.1 | 150.9 | 172.3 | 29.8 | -36.1 | 0 | 0 | 0 | 110.4 | Q89 G93 | Q89-P91 VanDerWaalsContact C-CD 3.49Å; P91-G93 PolarHBondContact O-N 3.39Å | ||
| 92 | Y | 93.4 | Very high | 94.1 | Very high | 10 Ų | 10 | 49.7 Ų | 49.7 | 4% | 0.039 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -62.6 | -29.7 | 178.5 | -74.4 | -118.7 | 0 | 0 | 0 | 112 | Y60 Y185 I186 T187 E188 V260 W261 | Y60-Y92 HydrophobicContact CD1-CD2 4.48Å; Y60-Y92 AromaticContact CD1-CE1 3.92Å; Y60-Y92 HydrophobicContact CD1-CE1 3.92Å; Y60-Y92 AromaticContact CD1-CE2 3.7Å; Y60-Y92 HydrophobicContact CD1-CE2 3.7Å; Y60-Y92 AromaticContact CD1-CZ 3.36Å; Y60-Y92 VanDerWaalsContact CD1-OH 3.24Å; Y60-Y92 WeakPolarHBondContact CD1-OH 3.28Å; Y60-Y92 AromaticContact CE1-CD1 3.66Å; Y60-Y92 HydrophobicContact CE1-CD1 3.66Å; Y60-Y92 AromaticContact CE1-CD2 3.6Å; Y60-Y92 HydrophobicContact CE1-CD2 3.6Å; Y60-Y92 AromaticContact CE1-CE1 3.36Å; Y60-Y92 HydrophobicContact CE1-CE1 3.36Å; Y60-Y92 AromaticContact CE1-CE2 3.23Å; Y60-Y92 HydrophobicContact CE1-CE2 3.23Å; Y60-Y92 AromaticContact CE1-CG 3.77Å; Y60-Y92 HydrophobicContact CE1-CG 3.77Å; Y60-Y92 AromaticContact CE1-CZ 3.1Å; Y60-Y92 AromaticContact CZ-CD2 3.79Å; Y60-Y92 AromaticContact CZ-CE2 3.81Å; Y60-Y92 PolarHBondContact O-OH 3.41Å; Y60-Y92 VanDerWaalsContact OH-CA 3.24Å; Y60-Y92 WeakPolarHBondContact OH-CA 2.95Å; Y92-Y185 HydrophobicContact CE2-CD2 4.49Å; Y92-Y185 HydrophobicContact CE2-CE2 4.02Å; Y92-I186 WeakPolarHBondContact CB-O 3.33Å; Y92-T187 HydrophobicContact CD1-CG2 4.28Å; Y92-T187 HydrophobicContact CD2-CG2 4.24Å; Y92-T187 HydrophobicContact CE1-CG2 3.96Å; Y92-T187 HydrophobicContact CE2-CG2 3.98Å; Y92-T187 VanDerWaalsContact CG-CA 3.5Å; Y92-T187 HydrophobicContact CG-CG2 4.42Å; Y92-E188 HydrophobicContact CD1-CB 4.42Å; Y92-E188 WeakPolarHBondContact CD1-OE2 3.46Å; Y92-E188 VanDerWaalsContact CE1-OE2 3.25Å; Y92-E188 WeakPolarHBondContact CE1-OE2 3.19Å; Y92-V260 WeakPolarHBondContact O-CA 3.37Å; Y92-V260 WeakPolarHBondContact O-CG1 3.17Å; Y92-W261 AromaticContact CD1-CH2 3.67Å; Y92-W261 HydrophobicContact CD1-CH2 3.67Å; Y92-W261 AromaticContact CD1-CZ2 3.39Å; Y92-W261 HydrophobicContact CD1-CZ2 3.39Å; Y92-W261 HydrophobicContact CD1-CZ3 4.5Å; Y92-W261 AromaticContact CE1-CH2 3.63Å; Y92-W261 HydrophobicContact CE1-CH2 3.63Å; Y92-W261 AromaticContact CE1-CZ2 3.66Å; Y92-W261 HydrophobicContact CE1-CZ2 3.66Å; Y92-W261 HydrophobicContact CG-CZ2 4.42Å; Y92-W261 PolarHBondContact O-N 2.86Å |
| 93 | G | 94.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.1 | 172.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | P91 F191 Y259 | P91-G93 PolarHBondContact O-N 3.39Å; G93-F191 WeakPolarHBondContact O-CE2 3.47Å; G93-F191 WeakPolarHBondContact O-CZ 3.15Å; G93-Y259 CarbonylContact C-O 3.22Å; G93-Y259 WeakPolarHBondContact CA-O 3.47Å |
| 94 | Y | 94.6 | Very high | 94.3 | Very high | 72 Ų | 72 | 55.4 Ų | 55.4 | 28% | 0.282 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 157.4 | 179.1 | 55.7 | -92.3 | 0 | 0 | 0 | 110.1 | I96 V258 Y259 K262 | Y94-I96 HydrophobicContact CD2-CD1 4.11Å; Y94-I96 HydrophobicContact CD2-CG1 3.74Å; Y94-I96 HydrophobicContact CE2-CD1 3.57Å; Y94-I96 HydrophobicContact CE2-CG1 3.73Å; Y94-V258 WeakPolarHBondContact O-CA 3.42Å; Y94-Y259 HydrophobicContact CD2-CD2 4.01Å; Y94-Y259 HydrophobicContact CD2-CG 4.48Å; Y94-Y259 AromaticContact CE2-CD2 3.44Å; Y94-Y259 HydrophobicContact CE2-CD2 3.44Å; Y94-Y259 VanDerWaalsContact CE2-CD2 3.44Å; Y94-Y259 HydrophobicContact CE2-CE2 4.35Å; Y94-Y259 AromaticContact CE2-CG 3.73Å; Y94-Y259 HydrophobicContact CE2-CG 3.73Å; Y94-Y259 AromaticContact CZ-CG 3.95Å; Y94-Y259 PolarHBondContact N-O 3.34Å; Y94-Y259 PolarHBondContact O-N 3.24Å; Y94-K262 HydrophobicContact CE1-CB 4.46Å |
| 95 | Y | 97 | Very high | 94.4 | Very high | 30 Ų | 30 | 59.5 Ų | 59.5 | 12% | 0.118 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 131.7 | 174.1 | 172.8 | -108.8 | 0 | 0 | 0 | 110.6 | P97 Y108 I214 P216 W252 H255 G256 D257 V258 | Y95-P97 HydrophobicContact CE1-CB 3.88Å; Y95-P97 HydrophobicContact CE1-CG 4.45Å; Y95-Y108 PolarHBondContact OH-OH 3.21Å; Y95-I214 WeakPolarHBondContact CB-O 2.93Å; Y95-I214 PolarHBondContact N-O 3.19Å; Y95-P216 HydrophobicContact CD1-CB 4.22Å; Y95-P216 HydrophobicContact CD2-CB 3.71Å; Y95-P216 HydrophobicContact CD2-CG 3.56Å; Y95-P216 HydrophobicContact CE1-CB 4.31Å; Y95-P216 HydrophobicContact CE2-CB 3.78Å; Y95-P216 HydrophobicContact CE2-CG 4.07Å; Y95-P216 HydrophobicContact CG-CB 3.9Å; Y95-P216 HydrophobicContact CG-CG 3.84Å; Y95-W252 HydrophobicContact CD2-CE3 4.5Å; Y95-W252 HydrophobicContact CE2-CE3 4.06Å; Y95-H255 PolarHBondContact OH-O 3.26Å; Y95-G256 VanDerWaalsContact CE2-C 3.49Å; Y95-G256 VanDerWaalsContact CE2-CA 3.48Å; Y95-G256 PolarHBondContact OH-N 2.8Å; Y95-D257 WeakPolarHBondContact CA-O 3.33Å; Y95-D257 WeakPolarHBondContact CD2-O 3.35Å; Y95-V258 HydrophobicContact CD2-CG2 4.1Å |
| 96 | I | 96.4 | Very high | 94.6 | Very high | 83 Ų | 83 | 58 Ų | 58 | 43% | 0.426 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 117 | 169.8 | -59.8 | -174.2 | 0 | 0 | 0 | 108.6 | Y94 G256 D257 Y259 | Y94-I96 HydrophobicContact CD2-CD1 4.11Å; Y94-I96 HydrophobicContact CD2-CG1 3.74Å; Y94-I96 HydrophobicContact CE2-CD1 3.57Å; Y94-I96 HydrophobicContact CE2-CG1 3.73Å; I96-G256 CarbonylContact O-C 3.52Å; I96-G256 WeakPolarHBondContact O-CA 3.31Å; I96-D257 PolarHBondContact N-O 2.87Å; I96-D257 PolarHBondContact O-N 3.3Å; I96-Y259 HydrophobicContact CB-CE2 4.01Å; I96-Y259 HydrophobicContact CD1-CD2 4.17Å; I96-Y259 HydrophobicContact CD1-CE2 3.87Å; I96-Y259 HydrophobicContact CG1-CD2 4.11Å; I96-Y259 HydrophobicContact CG1-CE2 3.94Å |
| 97 | P | 97.3 | Very high | 94.7 | Very high | 34 Ų | 34 | 65.9 Ų | 65.9 | 22% | 0.221 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 141 | 171 | 30.6 | -32.9 | 0 | 0 | 0 | 110.4 | Y95 N99 H102 | Y95-P97 HydrophobicContact CE1-CB 3.88Å; Y95-P97 HydrophobicContact CE1-CG 4.45Å; P97-N99 VanDerWaalsContact C-N 3.26Å; P97-N99 WeakPolarHBondContact CB-O 3.1Å; P97-N99 PolarHBondContact O-N 3.05Å; P97-H102 HydrophobicContact CB-CB 3.98Å |
| 98 | K | 97.3 | Very high | 94.8 | Very high | 130 Ų | 130 | 64.7 Ų | 64.7 | 57% | 0.565 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -64.2 | -32.8 | 173.8 | -71.3 | 173.8 | -172.7 | 172.6 | 0 | 112.2 | V254 H255 | K98-V254 PolarHBondContact NZ-O 2.91Å; K98-H255 WeakPolarHBondContact CB-O 3.47Å; K98-H255 PolarHBondContact N-O 2.79Å |
| 99 | N | 96.7 | Very high | 94.9 | Very high | 61 Ų | 61 | 72.6 Ų | 72.6 | 33% | 0.326 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -101.1 | 116.5 | 172 | -179.5 | -6.3 | 0 | 0 | 0 | 109 | P97 N101 H102 | P97-N99 VanDerWaalsContact C-N 3.26Å; P97-N99 WeakPolarHBondContact CB-O 3.1Å; P97-N99 PolarHBondContact O-N 3.05Å; N99-N101 PolarHBondContact O-N 2.9Å; N99-N101 VanDerWaalsContact O-N 3.12Å; N99-N101 WeakPolarHBondContact OD1-CB 3.3Å; N99-N101 PolarHBondContact OD1-N 3.14Å; N99-H102 PolarHBondContact ND2-CD2 3.27Å; N99-H102 PolarHBondContact ND2-NE2 2.92Å; N99-H102 WeakPolarHBondContact O-CB 2.96Å; N99-H102 PolarHBondContact O-N 3.35Å |
| 100 | P | 94.9 | Very high | 95.1 | Very high | 114 Ų | 114 | 72 Ų | 72 | 74% | 0.74 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -15.8 | -177.2 | 26.8 | -35.4 | 0 | 0 | 0 | 113.9 | H102 | P100-H102 VanDerWaalsContact C-N 3.28Š|
| 101 | N | 96 | Very high | 95.2 | Very high | 135 Ų | 135 | 73 Ų | 73 | 72% | 0.722 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -10.9 | 174.9 | -64.8 | -38.7 | 0 | 0 | 0 | 113.2 | N99 | N99-N101 PolarHBondContact O-N 2.9Å; N99-N101 VanDerWaalsContact O-N 3.12Å; N99-N101 WeakPolarHBondContact OD1-CB 3.3Å; N99-N101 PolarHBondContact OD1-N 3.14Å |
| 102 | H | 96 | Very high | 95.4 | Very high | 47 Ų | 47 | 80.7 Ų | 80.7 | 22% | 0.218 | 40% | 0.403 | C | S | . | . | trans | -79.4 | 142.7 | 176.6 | -62.2 | 174.6 | 0 | 0 | 0 | 110.9 | P97 N99 P100 T106 Y108 | P97-H102 HydrophobicContact CB-CB 3.98Å; N99-H102 PolarHBondContact ND2-CD2 3.27Å; N99-H102 PolarHBondContact ND2-NE2 2.92Å; N99-H102 WeakPolarHBondContact O-CB 2.96Å; N99-H102 PolarHBondContact O-N 3.35Å; P100-H102 VanDerWaalsContact C-N 3.28Å; H102-T106 WeakPolarHBondContact CA-OG1 3.17Å; H102-T106 HydrophobicContact CB-CG2 4.24Å; H102-Y108 WeakPolarHBondContact CB-OH 3.49Å; H102-Y108 AromaticContact CE1-CE1 3.6Å; H102-Y108 AromaticContact ND1-CE1 3.28Å; H102-Y108 VanDerWaalsContact ND1-CE1 3.28Å; H102-Y108 WeakPolarHBondContact ND1-CE1 3.26Å; H102-Y108 AromaticContact ND1-CZ 3.65Å; H102-Y108 PolarHBondContact ND1-OH 3.02Å; H102-Y108 VanDerWaalsContact ND1-OH 3.11Å | ||
| 103 | N | 94.2 | Very high | 95.5 | Very high | 86 Ų | 86 | 85.7 Ų | 85.7 | 46% | 0.46 | 43% | 0.425 | S | S | . | . | trans | -138.9 | -176.4 | -178.8 | 62.7 | 55.8 | 0 | 0 | 0 | 110.4 | N105 T106 P217 | N103-N105 PolarHBondContact O-N 3.23Å; N103-N105 VanDerWaalsContact O-N 3.08Å; N103-N105 WeakPolarHBondContact OD1-CA 3.47Å; N103-N105 WeakPolarHBondContact OD1-CB 3.02Å; N103-N105 PolarHBondContact OD1-N 3.07Å; N103-T106 PolarHBondContact N-OG1 2.97Å; N103-T106 VanDerWaalsContact O-CB 3.3Å; N103-T106 WeakPolarHBondContact O-CB 3.43Å; N103-T106 PolarHBondContact O-N 2.71Å; N103-T106 PolarHBondContact O-OG1 3.25Å; N103-P217 WeakPolarHBondContact O-CG 3.43Å | ||
| 104 | S | 93.4 | Very high | 95.6 | Very high | 49 Ų | 49 | 88.3 Ų | 88.3 | 34% | 0.343 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -18.6 | -176.3 | 60.4 | 0 | 0 | 0 | 0 | 115.3 | T212 | S104-T212 VanDerWaalsContact CB-O 3.25Å; S104-T212 WeakPolarHBondContact CB-O 3.27Å |
| 105 | N | 94.2 | Very high | 95.7 | Very high | 131 Ų | 131 | 86 Ų | 86 | 70% | 0.701 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | -8.6 | 176.2 | -63.3 | -46.2 | 0 | 0 | 0 | 113.4 | N103 R107 | N103-N105 PolarHBondContact O-N 3.23Å; N103-N105 VanDerWaalsContact O-N 3.08Å; N103-N105 WeakPolarHBondContact OD1-CA 3.47Å; N103-N105 WeakPolarHBondContact OD1-CB 3.02Å; N103-N105 PolarHBondContact OD1-N 3.07Å; N105-R107 PolarHBondContact O-N 3.08Å |
| 106 | T | 95.9 | Very high | 95.7 | Very high | 30 Ų | 30 | 84.8 Ų | 84.8 | 18% | 0.184 | 43% | 0.426 | C | S | . | . | trans | -62.2 | 128.2 | 179.9 | -58.3 | 0 | 0 | 0 | 0 | 110.5 | H102 N103 Y108 P217 | H102-T106 WeakPolarHBondContact CA-OG1 3.17Å; H102-T106 HydrophobicContact CB-CG2 4.24Å; N103-T106 PolarHBondContact N-OG1 2.97Å; N103-T106 VanDerWaalsContact O-CB 3.3Å; N103-T106 WeakPolarHBondContact O-CB 3.43Å; N103-T106 PolarHBondContact O-N 2.71Å; N103-T106 PolarHBondContact O-OG1 3.25Å; T106-Y108 HydrophobicContact CG2-CD1 3.87Å; T106-Y108 HydrophobicContact CG2-CE1 3.42Å; T106-Y108 VanDerWaalsContact CG2-CE1 3.42Å; T106-P217 WeakPolarHBondContact O-CB 3.28Å | ||
| 107 | R | 94.7 | Very high | 95.7 | Very high | 172 Ų | 172 | 87.7 Ų | 87.7 | 65% | 0.649 | 44% | 0.436 | S | S | * | . | trans | -102.8 | 112 | 175.2 | -66.3 | -61.3 | -173.5 | 152.6 | -1.9 | 109.8 | N105 H218 | N105-R107 PolarHBondContact O-N 3.08Å; R107-H218 PolarHBondContact NH1-CD2 3.11Å; R107-H218 PolarHBondContact NH1-CE1 2.96Å; R107-H218 PolarHBondContact NH1-ND1 3.23Å; R107-H218 VanDerWaalsContact NH1-ND1 3.14Å; R107-H218 PolarHBondContact NH1-NE2 3.42Å | ||
| 108 | Y | 95.6 | Very high | 95.7 | Very high | 34 Ų | 34 | 92.6 Ų | 92.6 | 13% | 0.133 | 46% | 0.46 | C | S | . | . | P | Polyproline II helix | trans | -81 | 155 | 178.7 | -62.9 | -47.2 | 0 | 0 | 0 | 111.8 | Y95 H102 T106 P217 W252 H255 | Y95-Y108 PolarHBondContact OH-OH 3.21Å; H102-Y108 WeakPolarHBondContact CB-OH 3.49Å; H102-Y108 AromaticContact CE1-CE1 3.6Å; H102-Y108 AromaticContact ND1-CE1 3.28Å; H102-Y108 VanDerWaalsContact ND1-CE1 3.28Å; H102-Y108 WeakPolarHBondContact ND1-CE1 3.26Å; H102-Y108 AromaticContact ND1-CZ 3.65Å; H102-Y108 PolarHBondContact ND1-OH 3.02Å; H102-Y108 VanDerWaalsContact ND1-OH 3.11Å; T106-Y108 HydrophobicContact CG2-CD1 3.87Å; T106-Y108 HydrophobicContact CG2-CE1 3.42Å; T106-Y108 VanDerWaalsContact CG2-CE1 3.42Å; Y108-P217 HydrophobicContact CE2-CB 4.35Å; Y108-P217 HydrophobicContact CE2-CG 3.98Å; Y108-W252 HydrophobicContact CD2-CB 3.97Å; Y108-W252 HydrophobicContact CE2-CB 3.96Å; Y108-H255 HydrophobicContact CD1-CB 4Å; Y108-H255 AromaticContact CD1-CD2 3.28Å; Y108-H255 WeakPolarHBondContact CD1-CD2 2.97Å; Y108-H255 AromaticContact CD1-CG 3.55Å; Y108-H255 AromaticContact CD1-NE2 3.72Å; Y108-H255 HydrophobicContact CD2-CB 4.19Å; Y108-H255 AromaticContact CD2-CD2 3.81Å; Y108-H255 HydrophobicContact CE1-CB 3.65Å; Y108-H255 AromaticContact CE1-CD2 3.87Å; Y108-H255 AromaticContact CE1-CG 3.65Å; Y108-H255 HydrophobicContact CE2-CB 3.79Å; Y108-H255 HydrophobicContact CG-CB 4.26Å; Y108-H255 AromaticContact CG-CD2 3.24Å; Y108-H255 AromaticContact CG-CG 3.88Å; Y108-H255 AromaticContact CG-NE2 3.88Å; Y108-H255 VanDerWaalsContact CZ-CB 3.5Å |
| 109 | K | 95.1 | Very high | 95.7 | Very high | 182 Ų | 182 | 87.2 Ų | 87.2 | 79% | 0.791 | 44% | 0.437 | S | S | * | . | P | Polyproline II helix | trans | -68.9 | 151.4 | 172.7 | -65.1 | -175.5 | 179.8 | -179.2 | 0 | 109.5 | A251 | K109-A251 WeakPolarHBondContact O-CB 3.47Š|
| 110 | L | 95.4 | Very high | 95.7 | Very high | 89 Ų | 89 | 89.3 Ų | 89.3 | 47% | 0.466 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -52 | 137.9 | 176 | -77.2 | 166.5 | 0 | 0 | 0 | 111.4 | T244 D247 E248 | L110-T244 HydrophobicContact CD1-CG2 3.64Å; L110-T244 HydrophobicContact CD2-CG2 4.25Å; L110-T244 WeakPolarHBondContact CD2-O 3.45Å; L110-D247 HydrophobicContact CD2-CB 4.4Å; L110-E248 HydrophobicContact CD2-CB 4.42Å; L110-E248 HydrophobicContact CD2-CG 3.57Å |
| 111 | P | 94.6 | Very high | 95.9 | Very high | 21 Ų | 21 | 86.8 Ų | 86.8 | 14% | 0.136 | 43% | 0.434 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 151.3 | 175.6 | 30.1 | -33.4 | 0 | 0 | 0 | 110.8 | K113 Y115 D247 F250 | P111-K113 VanDerWaalsContact C-N 3.29Å; P111-Y115 HydrophobicContact CB-CE2 4.05Å; P111-Y115 HydrophobicContact CG-CD2 4.16Å; P111-Y115 HydrophobicContact CG-CE2 4.06Å; P111-D247 WeakPolarHBondContact CD-O 3.49Å; P111-D247 HydrophobicContact CG-CB 4.17Å; P111-F250 HydrophobicContact CG-CB 4.43Å |
| 112 | I | 95.3 | Very high | 96 | Very high | 185 Ų | 185 | 81.8 Ų | 81.8 | 95% | 0.949 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -66.7 | -35.9 | 173.8 | -61.1 | 172.2 | 0 | 0 | 0 | 110.7 | ||
| 113 | K | 96 | Very high | 96.1 | Very high | 114 Ų | 114 | 79.5 Ų | 79.5 | 50% | 0.496 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -76.1 | 125.9 | 178.9 | 177.2 | -179.4 | 173.5 | -172 | 0 | 109.7 | P111 Y115 | P111-K113 VanDerWaalsContact C-N 3.29Å; K113-Y115 HydrophobicContact CB-CD2 4.31Å; K113-Y115 HydrophobicContact CB-CE2 3.95Å; K113-Y115 HydrophobicContact CD-CD1 4.47Å; K113-Y115 HydrophobicContact CD-CD2 4.31Å; K113-Y115 HydrophobicContact CD-CE1 4.14Å; K113-Y115 HydrophobicContact CD-CE2 3.93Å; K113-Y115 HydrophobicContact CG-CD2 4.11Å; K113-Y115 HydrophobicContact CG-CE2 4.02Å; K113-Y115 WeakPolarHBondContact O-CD2 3.31Å; K113-Y115 PolarHBondContact O-N 3.36Å |
| 114 | N | 97 | Very high | 96.3 | Very high | 56 Ų | 56 | 75.4 Ų | 75.4 | 30% | 0.299 | 37% | 0.374 | S | S | . | . | trans | -76.6 | 111.4 | 165 | 177.3 | -25.4 | 0 | 0 | 0 | 109.3 | A116 K117 D243 D247 | N114-A116 WeakPolarHBondContact OD1-CA 2.84Å; N114-A116 WeakPolarHBondContact OD1-CB 3.11Å; N114-A116 PolarHBondContact OD1-N 3.42Å; N114-K117 HydrophobicContact CB-CB 4.31Å; N114-K117 PolarHBondContact OD1-N 2.94Å; N114-D243 PolarHBondContact ND2-OD2 3.19Å; N114-D247 VanDerWaalsContact CA-OD2 3.28Å; N114-D247 WeakPolarHBondContact CA-OD2 3.29Å | ||
| 115 | Y | 97.3 | Very high | 96.6 | Very high | 23 Ų | 23 | 73.4 Ų | 73.4 | 9% | 0.09 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -83.1 | -19.5 | -179.5 | -77.2 | -101.5 | 0 | 0 | 0 | 112.5 | P111 K113 K117 K119 N198 D247 F250 H253 | P111-Y115 HydrophobicContact CB-CE2 4.05Å; P111-Y115 HydrophobicContact CG-CD2 4.16Å; P111-Y115 HydrophobicContact CG-CE2 4.06Å; K113-Y115 HydrophobicContact CB-CD2 4.31Å; K113-Y115 HydrophobicContact CB-CE2 3.95Å; K113-Y115 HydrophobicContact CD-CD1 4.47Å; K113-Y115 HydrophobicContact CD-CD2 4.31Å; K113-Y115 HydrophobicContact CD-CE1 4.14Å; K113-Y115 HydrophobicContact CD-CE2 3.93Å; K113-Y115 HydrophobicContact CG-CD2 4.11Å; K113-Y115 HydrophobicContact CG-CE2 4.02Å; K113-Y115 WeakPolarHBondContact O-CD2 3.31Å; K113-Y115 PolarHBondContact O-N 3.36Å; Y115-K117 VanDerWaalsContact C-N 3.32Å; Y115-K119 WeakPolarHBondContact O-CD 2.86Å; Y115-K119 WeakPolarHBondContact O-CE 3.44Å; Y115-N198 HydrophobicContact CD1-CB 4.15Å; Y115-N198 HydrophobicContact CE1-CB 4.37Å; Y115-N198 WeakPolarHBondContact CE1-OD1 3.16Å; Y115-D247 WeakPolarHBondContact CA-OD1 2.92Å; Y115-D247 WeakPolarHBondContact CB-OD1 3.22Å; Y115-D247 PolarHBondContact N-OD1 2.64Å; Y115-F250 HydrophobicContact CD1-CB 4.09Å; Y115-F250 AromaticContact CD1-CD1 3.34Å; Y115-F250 HydrophobicContact CD1-CD1 3.34Å; Y115-F250 AromaticContact CD1-CE1 3.95Å; Y115-F250 HydrophobicContact CD1-CE1 3.95Å; Y115-F250 AromaticContact CD1-CG 3.72Å; Y115-F250 HydrophobicContact CD1-CG 3.72Å; Y115-F250 HydrophobicContact CD2-CB 3.44Å; Y115-F250 VanDerWaalsContact CD2-CB 3.44Å; Y115-F250 HydrophobicContact CD2-CD1 4.27Å; Y115-F250 HydrophobicContact CD2-CD2 4.42Å; Y115-F250 AromaticContact CD2-CG 3.79Å; Y115-F250 HydrophobicContact CD2-CG 3.79Å; Y115-F250 HydrophobicContact CE1-CB 4.18Å; Y115-F250 AromaticContact CE1-CD1 3.69Å; Y115-F250 HydrophobicContact CE1-CD1 3.69Å; Y115-F250 HydrophobicContact CE1-CG 4.17Å; Y115-F250 HydrophobicContact CE2-CB 3.58Å; Y115-F250 HydrophobicContact CE2-CG 4.27Å; Y115-F250 HydrophobicContact CG-CB 3.72Å; Y115-F250 AromaticContact CG-CD1 3.66Å; Y115-F250 HydrophobicContact CG-CD1 3.66Å; Y115-F250 HydrophobicContact CG-CD2 4.02Å; Y115-F250 HydrophobicContact CG-CE1 4.38Å; Y115-F250 AromaticContact CG-CG 3.5Å; Y115-F250 HydrophobicContact CG-CG 3.5Å; Y115-F250 VanDerWaalsContact CG-CG 3.5Å; Y115-H253 AromaticContact CZ-CG 3.95Å; Y115-H253 WeakPolarHBondContact OH-CB 3.16Å; Y115-H253 PolarHBondContact OH-CD2 3.02Å |
| 116 | A | 97.4 | Very high | 96.8 | Very high | 5 Ų | 5 | 69.5 Ų | 69.5 | 4% | 0.041 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -72.4 | -25.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | N114 N118 K119 D243 Y246 D247 | N114-A116 WeakPolarHBondContact OD1-CA 2.84Å; N114-A116 WeakPolarHBondContact OD1-CB 3.11Å; N114-A116 PolarHBondContact OD1-N 3.42Å; A116-N118 PolarHBondContact O-N 2.9Å; A116-K119 WeakPolarHBondContact O-CB 2.83Å; A116-K119 PolarHBondContact O-N 3.47Å; A116-D243 HydrophobicContact CB-CB 4.19Å; A116-D243 WeakPolarHBondContact CB-OD1 3.23Å; A116-Y246 HydrophobicContact CB-CD1 3.63Å; A116-Y246 HydrophobicContact CB-CE1 3.98Å; A116-Y246 HydrophobicContact CB-CG 4.36Å; A116-D247 PolarHBondContact N-OD1 2.67Å |
| 117 | K | 96.5 | Very high | 96.8 | Very high | 143 Ų | 143 | 68.4 Ų | 68.4 | 62% | 0.622 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | 130.9 | -176.8 | -170.3 | 176.4 | -177 | 177 | 0 | 111.7 | N114 Y115 K119 | N114-K117 HydrophobicContact CB-CB 4.31Å; N114-K117 PolarHBondContact OD1-N 2.94Å; Y115-K117 VanDerWaalsContact C-N 3.32Å; K117-K119 PolarHBondContact O-N 3.44Å |
| 118 | N | 95.4 | Very high | 96.7 | Very high | 138 Ų | 138 | 64.5 Ų | 64.5 | 74% | 0.738 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.1 | -4.7 | -178.6 | -52.9 | -31.9 | 0 | 0 | 0 | 116.5 | A116 S120 | A116-N118 PolarHBondContact O-N 2.9Å; N118-S120 PolarHBondContact O-N 2.77Å |
| 119 | K | 98.1 | Very high | 96.6 | Very high | 17 Ų | 17 | 65.5 Ų | 65.5 | 7% | 0.074 | 34% | 0.338 | C | S | . | . | trans | -84 | 109.9 | 174.7 | -64.3 | 170.1 | 178.9 | -78.5 | 0 | 109.8 | Y115 A116 K117 S168 Q170 Y171 K172 N198 | Y115-K119 WeakPolarHBondContact O-CD 2.86Å; Y115-K119 WeakPolarHBondContact O-CE 3.44Å; A116-K119 WeakPolarHBondContact O-CB 2.83Å; A116-K119 PolarHBondContact O-N 3.47Å; K117-K119 PolarHBondContact O-N 3.44Å; K119-S168 PolarHBondContact NZ-O 3.49Å; K119-Q170 CarbonylContact C-O 3.39Å; K119-Q170 WeakPolarHBondContact CA-O 3.48Å; K119-Y171 VanDerWaalsContact CD-O 3.25Å; K119-Y171 WeakPolarHBondContact CD-O 3.37Å; K119-Y171 PolarHBondContact NZ-O 3.39Å; K119-K172 HydrophobicContact CB-CG 3.84Å; K119-K172 HydrophobicContact CD-CG 4.09Å; K119-N198 WeakPolarHBondContact CE-O 3.43Å; K119-N198 PolarHBondContact NZ-O 3.37Å | ||
| 120 | S | 97 | Very high | 96.5 | Very high | 104 Ų | 104 | 58.7 Ų | 58.7 | 73% | 0.727 | 31% | 0.313 | S | S | * | . | trans | -101.9 | -9.8 | -180 | 59.7 | 0 | 0 | 0 | 0 | 114.1 | N118 Q170 | N118-S120 PolarHBondContact O-N 2.77Å; S120-Q170 PolarHBondContact N-O 3.34Å | ||
| 121 | K | 98.4 | Very high | 96.2 | Very high | 61 Ų | 61 | 63.6 Ų | 63.6 | 27% | 0.265 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 152.7 | 179.9 | -57.5 | -175.8 | -179.4 | 172 | 0 | 110.9 | Q170 Y171 K172 | K121-Q170 WeakPolarHBondContact CA-O 3.09Å; K121-Q170 WeakPolarHBondContact CB-O 2.99Å; K121-Q170 HydrophobicContact CD-CB 4.23Å; K121-Q170 HydrophobicContact CG-CB 4.5Å; K121-Q170 PolarHBondContact N-O 3.09Å; K121-Y171 HydrophobicContact CB-CD1 3.42Å; K121-Y171 VanDerWaalsContact CB-CD1 3.42Å; K121-Y171 HydrophobicContact CB-CD2 4.22Å; K121-Y171 HydrophobicContact CB-CE1 3.49Å; K121-Y171 VanDerWaalsContact CB-CE1 3.49Å; K121-Y171 HydrophobicContact CB-CE2 4.32Å; K121-Y171 HydrophobicContact CB-CG 3.84Å; K121-Y171 HydrophobicContact CD-CD1 4.33Å; K121-Y171 HydrophobicContact CD-CD2 4.21Å; K121-Y171 HydrophobicContact CD-CE1 3.68Å; K121-Y171 HydrophobicContact CD-CE2 3.59Å; K121-Y171 WeakPolarHBondContact CD-OH 3.4Å; K121-Y171 HydrophobicContact CG-CE1 4.24Å; K121-Y171 VanDerWaalsContact O-CA 3.3Å; K121-Y171 WeakPolarHBondContact O-CA 3.31Å; K121-K172 PolarHBondContact O-N 3.32Å |
| 122 | L | 98.6 | Very high | 96 | Very high | 30 Ų | 30 | 63.7 Ų | 63.7 | 16% | 0.157 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | -75.2 | -172.1 | -62.4 | 174 | 0 | 0 | 0 | 111.2 | I147 K172 F173 D240 | L122-I147 HydrophobicContact CB-CD1 4.48Å; L122-I147 HydrophobicContact CB-CG1 4.41Å; L122-I147 HydrophobicContact CD1-CD1 3.9Å; L122-I147 HydrophobicContact CD1-CG1 3.52Å; L122-K172 PolarHBondContact O-N 2.61Å; L122-F173 WeakPolarHBondContact O-CD2 3.37Å; L122-F173 PolarHBondContact O-N 3.4Å; L122-D240 HydrophobicContact CD2-CB 3.71Å; L122-D240 WeakPolarHBondContact CD2-OD1 3.46Å |
| 123 | I | 98.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 122.3 | -168.6 | -51.4 | 179.4 | 0 | 0 | 0 | 110.7 | L143 I147 V149 D150 Y171 F173 L175 I202 L236 | I123-L143 HydrophobicContact CD1-CD2 4.07Å; I123-I147 HydrophobicContact CD1-CD1 4.21Å; I123-I147 HydrophobicContact CD1-CG1 4.38Å; I123-I147 HydrophobicContact CD1-CG2 3.68Å; I123-V149 HydrophobicContact CB-CG2 4.22Å; I123-V149 HydrophobicContact CD1-CG2 3.99Å; I123-V149 HydrophobicContact CG2-CG1 4.22Å; I123-V149 HydrophobicContact CG2-CG2 4.27Å; I123-D150 PolarHBondContact O-N 3.33Å; I123-Y171 WeakPolarHBondContact O-CE1 3.46Å; I123-F173 WeakPolarHBondContact CA-O 3.24Å; I123-F173 HydrophobicContact CG1-CB 4.11Å; I123-F173 HydrophobicContact CG1-CD2 4.17Å; I123-L175 HydrophobicContact CG2-CD1 4.16Å; I123-L175 HydrophobicContact CG2-CD2 3.65Å; I123-L175 HydrophobicContact CG2-CG 3.46Å; I123-L175 VanDerWaalsContact CG2-CG 3.46Å; I123-I202 HydrophobicContact CD1-CD1 4.11Å; I123-I202 HydrophobicContact CG1-CD1 4.39Å; I123-L236 HydrophobicContact CD1-CD1 3.73Å |
| 124 | A | 98.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 144.2 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | F167 Y171 F173 Y174 L175 | A124-F167 HydrophobicContact CB-CB 4.3Å; A124-F167 HydrophobicContact CB-CD1 3.95Å; A124-F167 HydrophobicContact CB-CD2 3.85Å; A124-F167 HydrophobicContact CB-CE1 4.21Å; A124-F167 HydrophobicContact CB-CE2 4.13Å; A124-F167 HydrophobicContact CB-CG 3.77Å; A124-F167 HydrophobicContact CB-CZ 4.31Å; A124-Y171 HydrophobicContact CB-CD1 3.66Å; A124-Y171 HydrophobicContact CB-CD2 3.94Å; A124-Y171 HydrophobicContact CB-CE1 3.92Å; A124-Y171 HydrophobicContact CB-CE2 4.16Å; A124-Y171 HydrophobicContact CB-CG 3.64Å; A124-Y171 VanDerWaalsContact N-CD1 3.33Å; A124-F173 PolarHBondContact N-O 3.28Å; A124-Y174 HydrophobicContact CB-CD2 4.34Å; A124-Y174 WeakPolarHBondContact O-CA 3.36Å; A124-L175 PolarHBondContact O-N 3.44Å |
| 125 | W | 98.3 | Very high | 95.3 | Very high | 6 Ų | 6 | 55.9 Ų | 55.9 | 2% | 0.023 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 114.7 | 171.5 | -171.3 | 30.1 | 0 | 0 | 0 | 111.3 | V127 R136 M137 A140 V149 D150 M151 Y152 L175 F177 | W125-V127 HydrophobicContact CD2-CB 4.11Å; W125-V127 HydrophobicContact CD2-CG1 3.74Å; W125-V127 HydrophobicContact CE3-CG1 3.84Å; W125-V127 HydrophobicContact CG-CB 4.48Å; W125-V127 HydrophobicContact CG-CG1 4.22Å; W125-V127 HydrophobicContact CH2-CG1 4.38Å; W125-V127 HydrophobicContact CH2-CG2 4.31Å; W125-V127 HydrophobicContact CZ2-CB 4.11Å; W125-V127 HydrophobicContact CZ2-CG1 4.29Å; W125-V127 HydrophobicContact CZ2-CG2 3.93Å; W125-V127 HydrophobicContact CZ3-CG1 4.13Å; W125-R136 HydrophobicContact CH2-CB 4.49Å; W125-R136 HydrophobicContact CH2-CG 4.42Å; W125-R136 HydrophobicContact CZ2-CB 4.16Å; W125-R136 HydrophobicContact CZ2-CG 4.11Å; W125-M137 HydrophobicContact CH2-SD 3.52Å; W125-M137 VanDerWaalsContact CH2-SD 3.52Å; W125-M137 HydrophobicContact CZ2-SD 4.48Å; W125-M137 HydrophobicContact CZ3-SD 3.98Å; W125-A140 HydrophobicContact CD2-CB 4.39Å; W125-A140 HydrophobicContact CE3-CB 3.52Å; W125-A140 HydrophobicContact CH2-CB 3.6Å; W125-A140 HydrophobicContact CZ2-CB 4.44Å; W125-A140 HydrophobicContact CZ3-CB 3.09Å; W125-V149 HydrophobicContact CB-CG1 4.35Å; W125-D150 PolarHBondContact N-O 2.93Å; W125-M151 HydrophobicContact CE3-CG 3.93Å; W125-M151 HydrophobicContact CE3-SD 3.73Å; W125-M151 HydrophobicContact CZ3-CG 4.48Å; W125-M151 HydrophobicContact CZ3-SD 3.69Å; W125-M151 CarbonylContact O-C 3.46Å; W125-M151 WeakPolarHBondContact O-CA 3.13Å; W125-Y152 PolarHBondContact O-N 3.14Å; W125-L175 HydrophobicContact CB-CB 3.94Å; W125-L175 HydrophobicContact CB-CD1 4.01Å; W125-L175 HydrophobicContact CB-CG 4.18Å; W125-L175 HydrophobicContact CD2-CB 4.39Å; W125-L175 HydrophobicContact CD2-CD1 4.04Å; W125-L175 HydrophobicContact CE3-CD1 4.33Å; W125-L175 HydrophobicContact CG-CB 3.7Å; W125-L175 HydrophobicContact CG-CD1 3.94Å; W125-L175 HydrophobicContact CG-CG 4.27Å; W125-F177 HydrophobicContact CZ2-CD2 4.4Å |
| 126 | L | 97.8 | Very high | 95.2 | Very high | 49 Ų | 49 | 55 Ų | 55 | 26% | 0.257 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 117.3 | 174.8 | -174.7 | 63.3 | 0 | 0 | 0 | 109.5 | C163 L164 F167 Y174 | L126-C163 HydrophobicContact CD2-CB 4.31Å; L126-L164 HydrophobicContact CD2-CD2 4.42Å; L126-F167 HydrophobicContact CB-CE2 4.14Å; L126-Y174 HydrophobicContact CB-CE2 4.24Å |
| 127 | V | 96.4 | Very high | 95.1 | Very high | 7 Ų | 7 | 57.9 Ų | 57.9 | 4% | 0.042 | 31% | 0.306 | C | S | . | . | trans | -147.8 | 122.6 | -169.4 | 53 | 0 | 0 | 0 | 0 | 111.8 | W125 N129 M137 M151 Y152 G153 G154 C155 | W125-V127 HydrophobicContact CD2-CB 4.11Å; W125-V127 HydrophobicContact CD2-CG1 3.74Å; W125-V127 HydrophobicContact CE3-CG1 3.84Å; W125-V127 HydrophobicContact CG-CB 4.48Å; W125-V127 HydrophobicContact CG-CG1 4.22Å; W125-V127 HydrophobicContact CH2-CG1 4.38Å; W125-V127 HydrophobicContact CH2-CG2 4.31Å; W125-V127 HydrophobicContact CZ2-CB 4.11Å; W125-V127 HydrophobicContact CZ2-CG1 4.29Å; W125-V127 HydrophobicContact CZ2-CG2 3.93Å; W125-V127 HydrophobicContact CZ3-CG1 4.13Å; V127-N129 WeakPolarHBondContact CG2-O 3.29Å; V127-M137 HydrophobicContact CG2-SD 4.5Å; V127-M151 HydrophobicContact CG1-CG 3.59Å; V127-M151 HydrophobicContact CG1-SD 3.94Å; V127-Y152 PolarHBondContact N-O 3.46Å; V127-G153 CarbonylContact O-C 3.54Å; V127-G154 PolarHBondContact O-N 2.9Å; V127-G154 VanDerWaalsContact O-N 3.15Å; V127-C155 HydrophobicContact CG1-CB 3.99Å; V127-C155 HydrophobicContact CG2-CB 4.18Å; V127-C155 PolarHBondContact O-N 3.39Å | ||
| 128 | S | 93.5 | Very high | 95 | Very high | 90 Ų | 90 | 55.5 Ų | 55.5 | 63% | 0.629 | 30% | 0.3 | S | S | * | . | trans | -116.7 | -28.5 | -179.8 | -58.2 | 0 | 0 | 0 | 0 | 113.9 | C155 | S128-C155 VanDerWaalsContact C-SG 3.59Š| ||
| 129 | N | 92.2 | Very high | 95.1 | Very high | 56 Ų | 56 | 49.2 Ų | 49.2 | 30% | 0.299 | 27% | 0.266 | S | S | . | . | trans | -84 | 117.5 | 169.9 | 176.3 | 5.4 | 0 | 0 | 0 | 107.4 | V127 F131 R136 C155 N179 | V127-N129 WeakPolarHBondContact CG2-O 3.29Å; N129-F131 PolarHBondContact OD1-N 2.91Å; N129-R136 VanDerWaalsContact CB-NH2 3.34Å; N129-R136 PolarHBondContact O-NH1 2.84Å; N129-R136 PolarHBondContact O-NH2 2.9Å; N129-C155 PolarHBondContact O-SG 2.83Å; N129-N179 PolarHBondContact ND2-OD1 2.93Å | ||
| 130 | C | 93.1 | Very high | 95 | Very high | 39 Ų | 39 | 48.7 Ų | 48.7 | 26% | 0.264 | 26% | 0.264 | S | S | . | . | trans | -96.6 | -17.8 | -176.9 | -44.2 | 0 | 0 | 0 | 0 | 112.6 | M137 C155 | C130-M137 WeakPolarHBondContact O-CG 3.31Å; C130-C155 WeakPolarHBondContact CA-SG 3.48Å; C130-C155 HydrophobicContact CB-CB 3.97Å; C130-C155 WeakPolarHBondContact CB-SG 3.29Å; C130-C155 PolarHBondContact N-SG 2.63Å; C130-C155 WeakPolarHBondContact SG-CA 3.34Å; C130-C155 WeakPolarHBondContact SG-CB 3.37Å; C130-C155 CovalentContact SG-SG 2.03Å; C130-C155 PolarHBondContact SG-SG 3.23Å | ||
| 131 | F | 90.4 | Very high | 95 | Very high | 192 Ų | 192 | 50.1 Ų | 50.1 | 84% | 0.842 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -121.4 | 60.4 | -170.8 | -57.2 | -73.9 | 0 | 0 | 0 | 109.8 | N129 | N129-F131 PolarHBondContact OD1-N 2.91Š|
| 132 | S | 89.3 | Confident | 94.9 | Very high | 23 Ų | 23 | 48 Ų | 48 | 16% | 0.161 | 25% | 0.249 | C | C | . | . | trans | -87.6 | 163 | 174 | 67.4 | 0 | 0 | 0 | 0 | 112.4 | S134 R136 N179 | S132-S134 VanDerWaalsContact C-N 3.31Å; S132-S134 PolarHBondContact O-N 2.83Å; S132-S134 PolarHBondContact OG-O 2.69Å; S132-S134 PolarHBondContact OG-OG 2.7Å; S132-R136 VanDerWaalsContact CB-NH2 3.31Å; S132-R136 WeakPolarHBondContact OG-CG 3.32Å; S132-R136 VanDerWaalsContact OG-CZ 3.25Å; S132-R136 PolarHBondContact OG-NE 2.83Å; S132-R136 PolarHBondContact OG-NH2 3.32Å; S132-N179 VanDerWaalsContact CB-O 3.24Å; S132-N179 WeakPolarHBondContact CB-O 3.46Å; S132-N179 PolarHBondContact OG-O 3.16Å | ||
| 133 | Q | 89.1 | Confident | 94.8 | Very high | 139 Ų | 139 | 46.5 Ų | 46.5 | 65% | 0.65 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -70.9 | -26.6 | 177.9 | -60.9 | -62.9 | -34.5 | 0 | 0 | 112.8 | N179 N180 | Q133-N179 PolarHBondContact N-O 3.15Å; Q133-N180 WeakPolarHBondContact CB-ND2 3.5Å; Q133-N180 WeakPolarHBondContact CG-ND2 3.49Å |
| 134 | S | 92.4 | Very high | 94.8 | Very high | 8 Ų | 8 | 49.3 Ų | 49.3 | 6% | 0.056 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -70.8 | 150.9 | 172.7 | 77.1 | 0 | 0 | 0 | 0 | 111.4 | S132 R136 E178 N179 | S132-S134 VanDerWaalsContact C-N 3.31Å; S132-S134 PolarHBondContact O-N 2.83Å; S132-S134 PolarHBondContact OG-O 2.69Å; S132-S134 PolarHBondContact OG-OG 2.7Å; S134-R136 PolarHBondContact O-N 3.21Å; S134-R136 WeakPolarHBondContact OG-CB 3.28Å; S134-R136 WeakPolarHBondContact OG-CD 3.47Å; S134-R136 WeakPolarHBondContact OG-CG 3.5Å; S134-E178 VanDerWaalsContact CB-O 3.29Å; S134-E178 WeakPolarHBondContact CB-O 3.45Å; S134-E178 PolarHBondContact OG-O 3.06Å; S134-N179 VanDerWaalsContact CB-O 3.31Å; S134-N179 WeakPolarHBondContact CB-O 3.31Å; S134-N179 PolarHBondContact N-O 3.43Å; S134-N179 PolarHBondContact OG-O 3.13Å |
| 135 | P | 93.6 | Very high | 94.7 | Very high | 44 Ų | 44 | 57.7 Ų | 57.7 | 29% | 0.286 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | 22.3 | 178.8 | 34 | -37.6 | 0 | 0 | 0 | 113.2 | M137 L138 Y139 M204 P300 | P135-M137 VanDerWaalsContact C-N 3.33Å; P135-M137 PolarHBondContact O-N 3.3Å; P135-L138 WeakPolarHBondContact O-CB 3.42Å; P135-L138 PolarHBondContact O-N 3.39Å; P135-Y139 HydrophobicContact CB-CD2 3.76Å; P135-Y139 HydrophobicContact CB-CE2 3.82Å; P135-Y139 HydrophobicContact CG-CD2 3.74Å; P135-Y139 HydrophobicContact CG-CE2 3.58Å; P135-Y139 WeakPolarHBondContact O-CD2 3.23Å; P135-Y139 PolarHBondContact O-N 2.98Å; P135-M204 HydrophobicContact CG-CE 4.43Å; P135-M204 HydrophobicContact CG-SD 4.17Å; P135-P300 HydrophobicContact CG-CG 3.88Å |
| 136 | R | 95.2 | Very high | 94.7 | Very high | 5 Ų | 5 | 61.6 Ų | 61.6 | 2% | 0.019 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.9 | -36.2 | -167.2 | 61.9 | -178.2 | 169.1 | 79.6 | -5.9 | 114.6 | W125 N129 S132 S134 Y139 A140 F177 E178 N179 M204 | W125-R136 HydrophobicContact CH2-CB 4.49Å; W125-R136 HydrophobicContact CH2-CG 4.42Å; W125-R136 HydrophobicContact CZ2-CB 4.16Å; W125-R136 HydrophobicContact CZ2-CG 4.11Å; N129-R136 VanDerWaalsContact CB-NH2 3.34Å; N129-R136 PolarHBondContact O-NH1 2.84Å; N129-R136 PolarHBondContact O-NH2 2.9Å; S132-R136 VanDerWaalsContact CB-NH2 3.31Å; S132-R136 WeakPolarHBondContact OG-CG 3.32Å; S132-R136 VanDerWaalsContact OG-CZ 3.25Å; S132-R136 PolarHBondContact OG-NE 2.83Å; S132-R136 PolarHBondContact OG-NH2 3.32Å; S134-R136 PolarHBondContact O-N 3.21Å; S134-R136 WeakPolarHBondContact OG-CB 3.28Å; S134-R136 WeakPolarHBondContact OG-CD 3.47Å; S134-R136 WeakPolarHBondContact OG-CG 3.5Å; R136-Y139 PolarHBondContact O-N 3.48Å; R136-A140 WeakPolarHBondContact O-CB 3.26Å; R136-A140 PolarHBondContact O-N 3.23Å; R136-F177 HydrophobicContact CB-CB 3.72Å; R136-F177 HydrophobicContact CB-CD2 3.85Å; R136-F177 HydrophobicContact CB-CG 4.22Å; R136-E178 WeakPolarHBondContact CD-O 3.07Å; R136-N179 PolarHBondContact NH2-OD1 2.03Å; R136-M204 VanDerWaalsContact CA-CE 3.45Å; R136-M204 HydrophobicContact CB-CE 3.45Å; R136-M204 VanDerWaalsContact CB-CE 3.45Å |
| 137 | M | 95.5 | Very high | 94.8 | Very high | 64 Ų | 64 | 59.6 Ų | 59.6 | 32% | 0.315 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.1 | -43.3 | 175.2 | -67.8 | -59.5 | -62.3 | 0 | 0 | 111.5 | W125 V127 C130 P135 K141 M151 C155 | W125-M137 HydrophobicContact CH2-SD 3.52Å; W125-M137 VanDerWaalsContact CH2-SD 3.52Å; W125-M137 HydrophobicContact CZ2-SD 4.48Å; W125-M137 HydrophobicContact CZ3-SD 3.98Å; V127-M137 HydrophobicContact CG2-SD 4.5Å; C130-M137 WeakPolarHBondContact O-CG 3.31Å; P135-M137 VanDerWaalsContact C-N 3.33Å; P135-M137 PolarHBondContact O-N 3.3Å; M137-K141 VanDerWaalsContact O-CB 3.24Å; M137-K141 WeakPolarHBondContact O-CB 3.22Å; M137-K141 PolarHBondContact O-N 3.28Å; M137-M151 HydrophobicContact CE-SD 4.4Å; M137-C155 HydrophobicContact CE-CB 4.31Å; M137-C155 HydrophobicContact SD-CB 4.47Å |
| 138 | L | 94.5 | Very high | 94.8 | Very high | 94 Ų | 94 | 65.5 Ų | 65.5 | 49% | 0.492 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -67.5 | -42.3 | 177.9 | -173.5 | 64.9 | 0 | 0 | 0 | 110.9 | P135 K141 V142 L304 | P135-L138 WeakPolarHBondContact O-CB 3.42Å; P135-L138 PolarHBondContact O-N 3.39Å; L138-K141 PolarHBondContact O-N 2.95Å; L138-V142 HydrophobicContact CD1-CG2 4.48Å; L138-V142 WeakPolarHBondContact O-CG2 3.39Å; L138-V142 PolarHBondContact O-N 3.3Å; L138-L304 HydrophobicContact CB-CD1 4.18Å; L138-L304 HydrophobicContact CD2-CB 4.23Å; L138-L304 HydrophobicContact CD2-CD1 3.84Å; L138-L304 HydrophobicContact CG-CD1 3.55Å |
| 139 | Y | 96 | Very high | 95.1 | Very high | 6 Ų | 6 | 62.3 Ų | 62.3 | 2% | 0.024 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.3 | -48.3 | 176.6 | -87.9 | -116.2 | 0 | 0 | 0 | 112.3 | P135 R136 K141 V142 L143 M204 L229 P300 W302 L304 | P135-Y139 HydrophobicContact CB-CD2 3.76Å; P135-Y139 HydrophobicContact CB-CE2 3.82Å; P135-Y139 HydrophobicContact CG-CD2 3.74Å; P135-Y139 HydrophobicContact CG-CE2 3.58Å; P135-Y139 WeakPolarHBondContact O-CD2 3.23Å; P135-Y139 PolarHBondContact O-N 2.98Å; R136-Y139 PolarHBondContact O-N 3.48Å; Y139-K141 PolarHBondContact O-N 3.36Å; Y139-V142 PolarHBondContact O-N 3.21Å; Y139-L143 VanDerWaalsContact O-CB 3.26Å; Y139-L143 WeakPolarHBondContact O-CB 3.47Å; Y139-L143 PolarHBondContact O-N 3.31Å; Y139-M204 HydrophobicContact CD1-SD 3.76Å; Y139-M204 HydrophobicContact CD2-SD 4.15Å; Y139-M204 HydrophobicContact CE1-SD 4.13Å; Y139-M204 HydrophobicContact CE2-SD 4.48Å; Y139-M204 HydrophobicContact CG-SD 3.8Å; Y139-L229 HydrophobicContact CD1-CD1 4.15Å; Y139-L229 HydrophobicContact CD1-CD2 3.98Å; Y139-L229 HydrophobicContact CD1-CG 4.4Å; Y139-L229 HydrophobicContact CE1-CD2 4.45Å; Y139-L229 HydrophobicContact CG-CD1 4.4Å; Y139-L229 WeakPolarHBondContact O-CD1 3.09Å; Y139-P300 HydrophobicContact CE1-CB 4.1Å; Y139-P300 HydrophobicContact CE1-CG 4.22Å; Y139-P300 HydrophobicContact CE2-CG 4.18Å; Y139-P300 VanDerWaalsContact OH-CB 3.31Å; Y139-P300 WeakPolarHBondContact OH-CB 3.37Å; Y139-W302 AromaticContact CE1-NE1 3.98Å; Y139-W302 PolarHBondContact OH-O 2.88Å; Y139-L304 HydrophobicContact CD2-CD1 3.29Å; Y139-L304 HydrophobicContact CD2-CG 4.05Å; Y139-L304 HydrophobicContact CE2-CD1 3.45Å; Y139-L304 VanDerWaalsContact CE2-CD1 3.45Å; Y139-L304 HydrophobicContact CE2-CD2 4.41Å; Y139-L304 HydrophobicContact CE2-CG 3.7Å; Y139-L304 HydrophobicContact CG-CD1 3.9Å |
| 140 | A | 96.8 | Very high | 95.4 | Very high | 5 Ų | 5 | 61.2 Ų | 61.2 | 4% | 0.041 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.7 | -42.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | W125 R136 V142 L143 S144 L175 F177 | W125-A140 HydrophobicContact CD2-CB 4.39Å; W125-A140 HydrophobicContact CE3-CB 3.52Å; W125-A140 HydrophobicContact CH2-CB 3.6Å; W125-A140 HydrophobicContact CZ2-CB 4.44Å; W125-A140 HydrophobicContact CZ3-CB 3.09Å; R136-A140 WeakPolarHBondContact O-CB 3.26Å; R136-A140 PolarHBondContact O-N 3.23Å; A140-V142 PolarHBondContact O-N 3.45Å; A140-L143 PolarHBondContact O-N 2.89Å; A140-S144 WeakPolarHBondContact O-CB 3.36Å; A140-S144 PolarHBondContact O-N 2.88Å; A140-L175 HydrophobicContact CB-CD1 4.11Å; A140-F177 HydrophobicContact CB-CE2 4.47Å |
| 141 | K | 96 | Very high | 95.6 | Very high | 134 Ų | 134 | 62.6 Ų | 62.6 | 58% | 0.583 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -63.1 | -37.6 | 177 | -178 | 178 | -178.2 | 177.6 | 0 | 113.2 | M137 L138 Y139 S144 | M137-K141 VanDerWaalsContact O-CB 3.24Å; M137-K141 WeakPolarHBondContact O-CB 3.22Å; M137-K141 PolarHBondContact O-N 3.28Å; L138-K141 PolarHBondContact O-N 2.95Å; Y139-K141 PolarHBondContact O-N 3.36Å; K141-S144 PolarHBondContact O-OG 3.33Å |
| 142 | V | 96.4 | Very high | 95.9 | Very high | 16 Ų | 16 | 54.9 Ų | 54.9 | 10% | 0.097 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -76.1 | -41.3 | 176.6 | 174.2 | 0 | 0 | 0 | 0 | 110.6 | L138 Y139 A140 S144 R145 Y146 L229 L304 | L138-V142 HydrophobicContact CD1-CG2 4.48Å; L138-V142 WeakPolarHBondContact O-CG2 3.39Å; L138-V142 PolarHBondContact O-N 3.3Å; Y139-V142 PolarHBondContact O-N 3.21Å; A140-V142 PolarHBondContact O-N 3.45Å; V142-S144 VanDerWaalsContact C-N 3.27Å; V142-S144 PolarHBondContact O-N 3.2Å; V142-R145 WeakPolarHBondContact O-CB 3.36Å; V142-R145 PolarHBondContact O-N 2.97Å; V142-R145 VanDerWaalsContact O-N 3.16Å; V142-Y146 HydrophobicContact CG1-CE2 3.95Å; V142-Y146 WeakPolarHBondContact O-CD2 3.43Å; V142-L229 HydrophobicContact CB-CD1 3.76Å; V142-L229 HydrophobicContact CG1-CB 4.46Å; V142-L229 HydrophobicContact CG1-CD1 3.77Å; V142-L304 HydrophobicContact CB-CD1 4.31Å; V142-L304 HydrophobicContact CB-CD2 4.34Å; V142-L304 HydrophobicContact CG1-CD2 4.16Å; V142-L304 HydrophobicContact CG2-CD1 4.01Å |
| 143 | L | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60 | -39.2 | 176.3 | -176.6 | 61 | 0 | 0 | 0 | 111.6 | I123 Y139 A140 R145 Y146 I147 V149 L175 L229 L232 | I123-L143 HydrophobicContact CD1-CD2 4.07Å; Y139-L143 VanDerWaalsContact O-CB 3.26Å; Y139-L143 WeakPolarHBondContact O-CB 3.47Å; Y139-L143 PolarHBondContact O-N 3.31Å; A140-L143 PolarHBondContact O-N 2.89Å; L143-R145 PolarHBondContact O-N 3.16Å; L143-R145 VanDerWaalsContact O-N 3.1Å; L143-Y146 PolarHBondContact O-N 2.98Å; L143-I147 HydrophobicContact CD1-CG2 3.66Å; L143-I147 HydrophobicContact CG-CG2 3.8Å; L143-I147 PolarHBondContact O-N 3.42Å; L143-I147 VanDerWaalsContact O-N 3.15Å; L143-V149 HydrophobicContact CD2-CG2 4.32Å; L143-V149 HydrophobicContact CG-CG2 4.23Å; L143-L175 HydrophobicContact CD2-CD2 4.11Å; L143-L229 HydrophobicContact CB-CD1 4.27Å; L143-L229 HydrophobicContact CD1-CB 4.43Å; L143-L232 HydrophobicContact CD1-CD2 4.37Å |
| 144 | S | 97.5 | Very high | 96.5 | Very high | 59 Ų | 59 | 49 Ų | 49 | 41% | 0.413 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -15.5 | 179.6 | 75.2 | 0 | 0 | 0 | 0 | 114 | A140 K141 V142 Y146 I147 | A140-S144 WeakPolarHBondContact O-CB 3.36Å; A140-S144 PolarHBondContact O-N 2.88Å; K141-S144 PolarHBondContact O-OG 3.33Å; V142-S144 VanDerWaalsContact C-N 3.27Å; V142-S144 PolarHBondContact O-N 3.2Å; S144-Y146 VanDerWaalsContact C-N 3.3Å; S144-I147 WeakPolarHBondContact CA-O 3.49Å |
| 145 | R | 97.9 | Very high | 96.6 | Very high | 176 Ų | 176 | 49.8 Ų | 49.8 | 66% | 0.664 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -24.7 | 172 | -60.8 | 178.5 | 176.7 | -178 | -3.9 | 112.6 | V142 L143 | V142-R145 WeakPolarHBondContact O-CB 3.36Å; V142-R145 PolarHBondContact O-N 2.97Å; V142-R145 VanDerWaalsContact O-N 3.16Å; L143-R145 PolarHBondContact O-N 3.16Å; L143-R145 VanDerWaalsContact O-N 3.1Å |
| 146 | Y | 98.2 | Very high | 96.4 | Very high | 88 Ų | 88 | 48.7 Ų | 48.7 | 35% | 0.345 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | -27.9 | -172.8 | -53.4 | -60.8 | 0 | 0 | 0 | 113.4 | V142 L143 S144 L229 F230 S233 K237 | V142-Y146 HydrophobicContact CG1-CE2 3.95Å; V142-Y146 WeakPolarHBondContact O-CD2 3.43Å; L143-Y146 PolarHBondContact O-N 2.98Å; S144-Y146 VanDerWaalsContact C-N 3.3Å; Y146-L229 HydrophobicContact CE2-CB 4.48Å; Y146-F230 AromaticContact CD1-CD2 3.62Å; Y146-F230 HydrophobicContact CD1-CD2 3.62Å; Y146-F230 HydrophobicContact CD1-CE2 4.36Å; Y146-F230 HydrophobicContact CD2-CB 4.41Å; Y146-F230 HydrophobicContact CE1-CB 4.38Å; Y146-F230 AromaticContact CE1-CD2 3.81Å; Y146-F230 HydrophobicContact CE1-CD2 3.81Å; Y146-F230 HydrophobicContact CE2-CB 4.2Å; Y146-F230 HydrophobicContact CG-CD2 4.1Å; Y146-S233 VanDerWaalsContact CB-OG 3.28Å; Y146-S233 WeakPolarHBondContact CB-OG 3.22Å; Y146-K237 WeakPolarHBondContact O-CE 3.48Å; Y146-K237 PolarHBondContact O-NZ 3.05Å |
| 147 | I | 98.5 | Very high | 96.1 | Very high | 7 Ų | 7 | 51.3 Ų | 51.3 | 4% | 0.036 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -148.9 | 146.1 | -177.4 | -169.3 | 169.1 | 0 | 0 | 0 | 109.6 | L122 I123 L143 S144 V149 L236 K237 | L122-I147 HydrophobicContact CB-CD1 4.48Å; L122-I147 HydrophobicContact CB-CG1 4.41Å; L122-I147 HydrophobicContact CD1-CD1 3.9Å; L122-I147 HydrophobicContact CD1-CG1 3.52Å; I123-I147 HydrophobicContact CD1-CD1 4.21Å; I123-I147 HydrophobicContact CD1-CG1 4.38Å; I123-I147 HydrophobicContact CD1-CG2 3.68Å; L143-I147 HydrophobicContact CD1-CG2 3.66Å; L143-I147 HydrophobicContact CG-CG2 3.8Å; L143-I147 PolarHBondContact O-N 3.42Å; L143-I147 VanDerWaalsContact O-N 3.15Å; S144-I147 WeakPolarHBondContact CA-O 3.49Å; I147-V149 PolarHBondContact O-N 3.05Å; I147-L236 HydrophobicContact CD1-CB 3.6Å; I147-L236 HydrophobicContact CD1-CD1 4.24Å; I147-K237 HydrophobicContact CD1-CG 4.12Å |
| 148 | K | 98.2 | Very high | 96 | Very high | 130 Ų | 130 | 51.2 Ų | 51.2 | 57% | 0.565 | 28% | 0.279 | S | S | * | . | trans | -65.4 | 122.5 | -177.2 | -175.8 | 169.5 | 177 | 172 | 0 | 111.2 | D150 | K148-D150 WeakPolarHBondContact CE-OD1 3.25Å; K148-D150 WeakPolarHBondContact CE-OD2 3.11Å; K148-D150 IonicContact NZ-OD1 3.81Å | ||
| 149 | V | 98.5 | Very high | 95.9 | Very high | 24 Ų | 24 | 55.1 Ų | 55.1 | 15% | 0.145 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 112.4 | 173.6 | -179.5 | 0 | 0 | 0 | 0 | 107.9 | I123 W125 L143 I147 L175 | I123-V149 HydrophobicContact CB-CG2 4.22Å; I123-V149 HydrophobicContact CD1-CG2 3.99Å; I123-V149 HydrophobicContact CG2-CG1 4.22Å; I123-V149 HydrophobicContact CG2-CG2 4.27Å; W125-V149 HydrophobicContact CB-CG1 4.35Å; L143-V149 HydrophobicContact CD2-CG2 4.32Å; L143-V149 HydrophobicContact CG-CG2 4.23Å; I147-V149 PolarHBondContact O-N 3.05Å; V149-L175 HydrophobicContact CG1-CD1 3.83Å |
| 150 | D | 98 | Very high | 95.7 | Very high | 32 Ų | 32 | 56.7 Ų | 56.7 | 17% | 0.171 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 114.4 | 176.4 | -65.5 | -42.6 | 0 | 0 | 0 | 109.1 | I123 W125 K148 Y152 Y171 | I123-D150 PolarHBondContact O-N 3.33Å; W125-D150 PolarHBondContact N-O 2.93Å; K148-D150 WeakPolarHBondContact CE-OD1 3.25Å; K148-D150 WeakPolarHBondContact CE-OD2 3.11Å; K148-D150 IonicContact NZ-OD1 3.81Å; D150-Y152 HydrophobicContact CB-CE2 3.78Å; D150-Y171 HydrophobicContact CB-CE1 3.75Å; D150-Y171 WeakPolarHBondContact CB-OH 3.42Å; D150-Y171 VanDerWaalsContact OD2-CE1 3.25Å; D150-Y171 WeakPolarHBondContact OD2-CE1 3.38Å; D150-Y171 PolarHBondContact OD2-OH 3.45Å; D150-Y171 VanDerWaalsContact OD2-OH 3.04Å |
| 151 | M | 97.3 | Very high | 95.4 | Very high | 68 Ų | 68 | 63.1 Ų | 63.1 | 34% | 0.335 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 130.2 | -174.4 | -171.5 | 170.2 | 50 | 0 | 0 | 110.9 | W125 V127 M137 C155 | W125-M151 HydrophobicContact CE3-CG 3.93Å; W125-M151 HydrophobicContact CE3-SD 3.73Å; W125-M151 HydrophobicContact CZ3-CG 4.48Å; W125-M151 HydrophobicContact CZ3-SD 3.69Å; W125-M151 CarbonylContact O-C 3.46Å; W125-M151 WeakPolarHBondContact O-CA 3.13Å; V127-M151 HydrophobicContact CG1-CG 3.59Å; V127-M151 HydrophobicContact CG1-SD 3.94Å; M137-M151 HydrophobicContact CE-SD 4.4Å; M151-C155 WeakPolarHBondContact CE-O 3.43Å |
| 152 | Y | 97.6 | Very high | 95.4 | Very high | 30 Ų | 30 | 60.3 Ų | 60.3 | 12% | 0.118 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 164.4 | -177.8 | -66.5 | -96.6 | 0 | 0 | 0 | 111.1 | W125 V127 D150 S158 C160 M166 F167 Y171 | W125-Y152 PolarHBondContact O-N 3.14Å; V127-Y152 PolarHBondContact N-O 3.46Å; D150-Y152 HydrophobicContact CB-CE2 3.78Å; Y152-S158 CarbonylContact C-O 3.51Å; Y152-S158 VanDerWaalsContact CA-O 3.32Å; Y152-S158 WeakPolarHBondContact CA-O 3.47Å; Y152-C160 VanDerWaalsContact CD1-SG 3.6Å; Y152-M166 HydrophobicContact CE1-CE 3.93Å; Y152-F167 HydrophobicContact CD1-CE1 4.31Å; Y152-F167 HydrophobicContact CD1-CZ 4.23Å; Y152-F167 AromaticContact CD2-CE1 3.58Å; Y152-F167 HydrophobicContact CD2-CE1 3.58Å; Y152-F167 AromaticContact CD2-CZ 3.4Å; Y152-F167 HydrophobicContact CD2-CZ 3.4Å; Y152-F167 VanDerWaalsContact CD2-CZ 3.4Å; Y152-F167 HydrophobicContact CE1-CE1 4.19Å; Y152-F167 HydrophobicContact CE2-CD1 4.49Å; Y152-F167 AromaticContact CE2-CE1 3.44Å; Y152-F167 HydrophobicContact CE2-CE1 3.44Å; Y152-F167 VanDerWaalsContact CE2-CE1 3.44Å; Y152-F167 AromaticContact CE2-CZ 3.81Å; Y152-F167 HydrophobicContact CE2-CZ 3.81Å; Y152-F167 HydrophobicContact CG-CE1 4.02Å; Y152-F167 AromaticContact CG-CZ 3.63Å; Y152-F167 HydrophobicContact CG-CZ 3.63Å; Y152-F167 AromaticContact CZ-CE1 3.77Å; Y152-Y171 WeakPolarHBondContact CE2-OH 3.47Å; Y152-Y171 PolarHBondContact OH-OH 3.35Å |
| 153 | G | 95.9 | Very high | 95.4 | Very high | 4 Ų | 4 | 60.1 Ų | 60.1 | 4% | 0.041 | 34% | 0.336 | C | S | . | . | S | Bend | trans | 87.3 | -166.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | V127 C155 G156 G157 S158 | V127-G153 CarbonylContact O-C 3.54Å; G153-C155 PolarHBondContact O-N 3.06Å; G153-G156 PolarHBondContact O-N 2.71Å; G153-G157 PolarHBondContact O-N 3Å; G153-G157 VanDerWaalsContact O-N 3.08Å; G153-S158 PolarHBondContact N-O 3.23Å |
| 154 | G | 94.4 | Very high | 95.4 | Very high | 36 Ų | 36 | 61 Ų | 61 | 37% | 0.371 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -28 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | V127 | V127-G154 PolarHBondContact O-N 2.9Å; V127-G154 VanDerWaalsContact O-N 3.15Å |
| 155 | C | 95.1 | Very high | 95.4 | Very high | 23 Ų | 23 | 60.9 Ų | 60.9 | 16% | 0.155 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -15.6 | 178 | -45.4 | 0 | 0 | 0 | 0 | 113.6 | V127 S128 N129 C130 M137 M151 G153 | V127-C155 HydrophobicContact CG1-CB 3.99Å; V127-C155 HydrophobicContact CG2-CB 4.18Å; V127-C155 PolarHBondContact O-N 3.39Å; S128-C155 VanDerWaalsContact C-SG 3.59Å; N129-C155 PolarHBondContact O-SG 2.83Å; C130-C155 WeakPolarHBondContact CA-SG 3.48Å; C130-C155 HydrophobicContact CB-CB 3.97Å; C130-C155 WeakPolarHBondContact CB-SG 3.29Å; C130-C155 PolarHBondContact N-SG 2.63Å; C130-C155 WeakPolarHBondContact SG-CA 3.34Å; C130-C155 WeakPolarHBondContact SG-CB 3.37Å; C130-C155 CovalentContact SG-SG 2.03Å; C130-C155 PolarHBondContact SG-SG 3.23Å; M137-C155 HydrophobicContact CE-CB 4.31Å; M137-C155 HydrophobicContact SD-CB 4.47Å; M151-C155 WeakPolarHBondContact CE-O 3.43Å; G153-C155 PolarHBondContact O-N 3.06Å |
| 156 | G | 89.8 | Confident | 95.4 | Very high | 22 Ų | 22 | 55 Ų | 55 | 23% | 0.227 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -20.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | G153 S158 | G153-G156 PolarHBondContact O-N 2.71Å; G156-S158 PolarHBondContact O-N 3.21Å |
| 157 | G | 88.8 | Confident | 95.4 | Very high | 60 Ų | 60 | 50.8 Ų | 50.8 | 62% | 0.619 | 30% | 0.299 | S | S | * | . | S | Bend | trans | 70.6 | -10.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | G153 | G153-G157 PolarHBondContact O-N 3Å; G153-G157 VanDerWaalsContact O-N 3.08Å |
| 158 | S | 92.3 | Very high | 95.3 | Very high | 61 Ų | 61 | 51.5 Ų | 51.5 | 43% | 0.427 | 31% | 0.305 | S | S | . | . | trans | -102.6 | 125.5 | 175.1 | -62.3 | 0 | 0 | 0 | 0 | 110.3 | Y152 G153 G156 | Y152-S158 CarbonylContact C-O 3.51Å; Y152-S158 VanDerWaalsContact CA-O 3.32Å; Y152-S158 WeakPolarHBondContact CA-O 3.47Å; G153-S158 PolarHBondContact N-O 3.23Å; G156-S158 PolarHBondContact O-N 3.21Å | ||
| 159 | Y | 92.7 | Very high | 95.3 | Very high | 176 Ų | 176 | 51.4 Ų | 51.4 | 69% | 0.69 | 30% | 0.304 | S | S | * | . | trans | -113.5 | 150.3 | -179.7 | -64 | -92 | 0 | 0 | 0 | 110.7 | ||||
| 160 | C | 93.3 | Very high | 95.3 | Very high | 40 Ų | 40 | 53.2 Ų | 53.2 | 27% | 0.27 | 31% | 0.311 | S | S | . | . | trans | -140.3 | 147.8 | 173.1 | 27 | 0 | 0 | 0 | 0 | 108.5 | Y152 C163 M166 | Y152-C160 VanDerWaalsContact CD1-SG 3.6Å; C160-C163 HydrophobicContact CB-CB 4.1Å; C160-C163 WeakPolarHBondContact CB-SG 3.12Å; C160-C163 PolarHBondContact O-SG 3.27Å; C160-C163 WeakPolarHBondContact SG-CA 3.24Å; C160-C163 WeakPolarHBondContact SG-CB 3.46Å; C160-C163 CovalentContact SG-SG 2.02Å; C160-C163 PolarHBondContact SG-SG 3.36Å; C160-M166 HydrophobicContact CB-CE 4.43Å | ||
| 161 | S | 90.3 | Very high | 95.3 | Very high | 139 Ų | 139 | 51.7 Ų | 51.7 | 97% | 0.972 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -42.8 | 179.2 | 50.1 | 0 | 0 | 0 | 0 | 112.2 | ||
| 162 | D | 94.8 | Very high | 95.4 | Very high | 75 Ų | 75 | 48.9 Ų | 48.9 | 40% | 0.401 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.5 | 66.2 | 177 | -174.2 | 4.9 | 0 | 0 | 0 | 110.2 | L164 N165 M166 | D162-L164 VanDerWaalsContact C-N 3.31Å; D162-L164 PolarHBondContact O-N 3Å; D162-N165 HydrophobicContact CB-CB 4.45Å; D162-N165 WeakPolarHBondContact OD1-CB 3.29Å; D162-N165 PolarHBondContact OD1-N 2.87Å; D162-N165 WeakPolarHBondContact OD2-CB 3.47Å; D162-N165 PolarHBondContact OD2-ND2 2.86Å; D162-M166 PolarHBondContact O-N 3.34Å; D162-M166 VanDerWaalsContact O-N 3.14Å |
| 163 | C | 96.9 | Very high | 95.4 | Very high | 12 Ų | 12 | 47.5 Ų | 47.5 | 8% | 0.081 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -55.5 | -45.1 | -174.9 | -65.3 | 0 | 0 | 0 | 0 | 112.5 | L126 C160 M166 F167 | L126-C163 HydrophobicContact CD2-CB 4.31Å; C160-C163 HydrophobicContact CB-CB 4.1Å; C160-C163 WeakPolarHBondContact CB-SG 3.12Å; C160-C163 PolarHBondContact O-SG 3.27Å; C160-C163 WeakPolarHBondContact SG-CA 3.24Å; C160-C163 WeakPolarHBondContact SG-CB 3.46Å; C160-C163 CovalentContact SG-SG 2.02Å; C160-C163 PolarHBondContact SG-SG 3.36Å; C163-M166 PolarHBondContact O-N 3.38Å; C163-F167 HydrophobicContact CB-CD2 4.41Å; C163-F167 HydrophobicContact CB-CE1 4.32Å; C163-F167 HydrophobicContact CB-CE2 3.74Å; C163-F167 HydrophobicContact CB-CZ 3.69Å; C163-F167 WeakPolarHBondContact O-CB 3.25Å; C163-F167 WeakPolarHBondContact O-CD1 3.29Å; C163-F167 VanDerWaalsContact O-CD2 3.3Å; C163-F167 WeakPolarHBondContact O-CD2 3.34Å; C163-F167 WeakPolarHBondContact O-CG 3.37Å; C163-F167 PolarHBondContact O-N 3.17Å |
| 164 | L | 97.6 | Very high | 95.6 | Very high | 18 Ų | 18 | 47.3 Ų | 47.3 | 9% | 0.094 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -70.2 | -38.7 | -171.8 | -61 | 177.6 | 0 | 0 | 0 | 112.4 | L126 D162 F167 S168 Y174 N193 Y197 | L126-L164 HydrophobicContact CD2-CD2 4.42Å; D162-L164 VanDerWaalsContact C-N 3.31Å; D162-L164 PolarHBondContact O-N 3Å; L164-F167 HydrophobicContact CD2-CD2 4.09Å; L164-F167 HydrophobicContact CD2-CE2 4.45Å; L164-F167 PolarHBondContact O-N 3.24Å; L164-S168 WeakPolarHBondContact O-CB 3.41Å; L164-S168 PolarHBondContact O-N 3.11Å; L164-Y174 HydrophobicContact CD2-CE2 4.4Å; L164-N193 HydrophobicContact CD1-CB 4.41Å; L164-N193 VanDerWaalsContact CD1-OD1 3.25Å; L164-N193 WeakPolarHBondContact CD1-OD1 3.3Å; L164-N193 HydrophobicContact CD2-CB 3.78Å; L164-Y197 HydrophobicContact CB-CD1 3.82Å; L164-Y197 HydrophobicContact CB-CD2 3.63Å; L164-Y197 HydrophobicContact CB-CE1 3.62Å; L164-Y197 HydrophobicContact CB-CE2 3.48Å; L164-Y197 VanDerWaalsContact CB-CE2 3.48Å; L164-Y197 HydrophobicContact CB-CG 3.82Å; L164-Y197 VanDerWaalsContact CB-CZ 3.45Å; L164-Y197 HydrophobicContact CD1-CD2 3.87Å; L164-Y197 HydrophobicContact CD1-CE2 3.34Å; L164-Y197 HydrophobicContact CG-CD2 4.2Å; L164-Y197 HydrophobicContact CG-CE2 3.99Å; L164-Y197 WeakPolarHBondContact O-CD1 3.35Å |
| 165 | N | 97.7 | Very high | 95.8 | Very high | 58 Ų | 58 | 45.6 Ų | 45.6 | 31% | 0.31 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -68.5 | -36.7 | 173.6 | -175.9 | 29.4 | 0 | 0 | 0 | 112.4 | D162 F167 S168 K169 | D162-N165 HydrophobicContact CB-CB 4.45Å; D162-N165 WeakPolarHBondContact OD1-CB 3.29Å; D162-N165 PolarHBondContact OD1-N 2.87Å; D162-N165 WeakPolarHBondContact OD2-CB 3.47Å; D162-N165 PolarHBondContact OD2-ND2 2.86Å; N165-F167 VanDerWaalsContact C-N 3.33Å; N165-S168 PolarHBondContact O-OG 2.81Å; N165-K169 WeakPolarHBondContact O-CG 3.45Å; N165-K169 VanDerWaalsContact OD1-CE 3.26Å; N165-K169 WeakPolarHBondContact OD1-CE 3.39Å; N165-K169 PolarHBondContact OD1-NZ 3.11Å |
| 166 | M | 97.3 | Very high | 96 | Very high | 52 Ų | 52 | 44.5 Ų | 44.5 | 26% | 0.256 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63 | -44.1 | 170.4 | 179.5 | -172.7 | 71.7 | 0 | 0 | 110.4 | Y152 C160 D162 C163 S168 K169 Q170 | Y152-M166 HydrophobicContact CE1-CE 3.93Å; C160-M166 HydrophobicContact CB-CE 4.43Å; D162-M166 PolarHBondContact O-N 3.34Å; D162-M166 VanDerWaalsContact O-N 3.14Å; C163-M166 PolarHBondContact O-N 3.38Å; M166-S168 PolarHBondContact O-N 2.97Å; M166-K169 PolarHBondContact O-N 3.41Å; M166-Q170 WeakPolarHBondContact O-CG 3.36Å; M166-Q170 PolarHBondContact O-N 3.1Å |
| 167 | F | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.2 | -42.7 | -178.4 | -60 | -21 | 0 | 0 | 0 | 112.1 | A124 L126 Y152 C163 L164 N165 K169 Q170 Y171 Y174 M199 | A124-F167 HydrophobicContact CB-CB 4.3Å; A124-F167 HydrophobicContact CB-CD1 3.95Å; A124-F167 HydrophobicContact CB-CD2 3.85Å; A124-F167 HydrophobicContact CB-CE1 4.21Å; A124-F167 HydrophobicContact CB-CE2 4.13Å; A124-F167 HydrophobicContact CB-CG 3.77Å; A124-F167 HydrophobicContact CB-CZ 4.31Å; L126-F167 HydrophobicContact CB-CE2 4.14Å; Y152-F167 HydrophobicContact CD1-CE1 4.31Å; Y152-F167 HydrophobicContact CD1-CZ 4.23Å; Y152-F167 AromaticContact CD2-CE1 3.58Å; Y152-F167 HydrophobicContact CD2-CE1 3.58Å; Y152-F167 AromaticContact CD2-CZ 3.4Å; Y152-F167 HydrophobicContact CD2-CZ 3.4Å; Y152-F167 VanDerWaalsContact CD2-CZ 3.4Å; Y152-F167 HydrophobicContact CE1-CE1 4.19Å; Y152-F167 HydrophobicContact CE2-CD1 4.49Å; Y152-F167 AromaticContact CE2-CE1 3.44Å; Y152-F167 HydrophobicContact CE2-CE1 3.44Å; Y152-F167 VanDerWaalsContact CE2-CE1 3.44Å; Y152-F167 AromaticContact CE2-CZ 3.81Å; Y152-F167 HydrophobicContact CE2-CZ 3.81Å; Y152-F167 HydrophobicContact CG-CE1 4.02Å; Y152-F167 AromaticContact CG-CZ 3.63Å; Y152-F167 HydrophobicContact CG-CZ 3.63Å; Y152-F167 AromaticContact CZ-CE1 3.77Å; C163-F167 HydrophobicContact CB-CD2 4.41Å; C163-F167 HydrophobicContact CB-CE1 4.32Å; C163-F167 HydrophobicContact CB-CE2 3.74Å; C163-F167 HydrophobicContact CB-CZ 3.69Å; C163-F167 WeakPolarHBondContact O-CB 3.25Å; C163-F167 WeakPolarHBondContact O-CD1 3.29Å; C163-F167 VanDerWaalsContact O-CD2 3.3Å; C163-F167 WeakPolarHBondContact O-CD2 3.34Å; C163-F167 WeakPolarHBondContact O-CG 3.37Å; C163-F167 PolarHBondContact O-N 3.17Å; L164-F167 HydrophobicContact CD2-CD2 4.09Å; L164-F167 HydrophobicContact CD2-CE2 4.45Å; L164-F167 PolarHBondContact O-N 3.24Å; N165-F167 VanDerWaalsContact C-N 3.33Å; F167-K169 PolarHBondContact O-N 3.03Å; F167-Q170 PolarHBondContact O-N 3.43Å; F167-Y171 HydrophobicContact CB-CD2 4.09Å; F167-Y171 AromaticContact CD1-CD2 3.81Å; F167-Y171 HydrophobicContact CD1-CD2 3.81Å; F167-Y171 AromaticContact CD1-CE2 3.59Å; F167-Y171 HydrophobicContact CD1-CE2 3.59Å; F167-Y171 HydrophobicContact CE1-CE2 4.15Å; F167-Y171 HydrophobicContact CG-CD2 4.26Å; F167-Y171 HydrophobicContact CG-CE2 4.46Å; F167-Y171 PolarHBondContact O-N 3.22Å; F167-Y174 HydrophobicContact CD2-CD2 4.43Å; F167-Y174 HydrophobicContact CD2-CE2 4.36Å; F167-Y174 HydrophobicContact CE2-CE2 4.46Å; F167-M199 HydrophobicContact CB-CE 3.68Å; F167-M199 HydrophobicContact CB-SD 3.64Å |
| 168 | S | 97.6 | Very high | 96.7 | Very high | 22 Ų | 22 | 40.7 Ų | 40.7 | 15% | 0.154 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -56.8 | -26.2 | 178.7 | 79.9 | 0 | 0 | 0 | 0 | 113.3 | K119 L164 N165 M166 Y197 | K119-S168 PolarHBondContact NZ-O 3.49Å; L164-S168 WeakPolarHBondContact O-CB 3.41Å; L164-S168 PolarHBondContact O-N 3.11Å; N165-S168 PolarHBondContact O-OG 2.81Å; M166-S168 PolarHBondContact O-N 2.97Å; S168-Y197 VanDerWaalsContact CA-O 3.28Å; S168-Y197 WeakPolarHBondContact CA-O 3.32Å; S168-Y197 WeakPolarHBondContact CB-O 3.45Å |
| 169 | K | 97.5 | Very high | 96.8 | Very high | 127 Ų | 127 | 39 Ų | 39 | 55% | 0.552 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -91.7 | -24.3 | 179.3 | -64.3 | 168.9 | -172.8 | 169 | 0 | 113.6 | N165 M166 F167 | N165-K169 WeakPolarHBondContact O-CG 3.45Å; N165-K169 VanDerWaalsContact OD1-CE 3.26Å; N165-K169 WeakPolarHBondContact OD1-CE 3.39Å; N165-K169 PolarHBondContact OD1-NZ 3.11Å; M166-K169 PolarHBondContact O-N 3.41Å; F167-K169 PolarHBondContact O-N 3.03Å |
| 170 | Q | 97.7 | Very high | 96.9 | Very high | 62 Ų | 62 | 31.2 Ų | 31.2 | 29% | 0.29 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -114.5 | -33.1 | -167.8 | -64.7 | -177 | -1.9 | 0 | 0 | 114.1 | K119 S120 K121 M166 F167 | K119-Q170 CarbonylContact C-O 3.39Å; K119-Q170 WeakPolarHBondContact CA-O 3.48Å; S120-Q170 PolarHBondContact N-O 3.34Å; K121-Q170 WeakPolarHBondContact CA-O 3.09Å; K121-Q170 WeakPolarHBondContact CB-O 2.99Å; K121-Q170 HydrophobicContact CD-CB 4.23Å; K121-Q170 HydrophobicContact CG-CB 4.5Å; K121-Q170 PolarHBondContact N-O 3.09Å; M166-Q170 WeakPolarHBondContact O-CG 3.36Å; M166-Q170 PolarHBondContact O-N 3.1Å; F167-Q170 PolarHBondContact O-N 3.43Å |
| 171 | Y | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 143.4 | -169.8 | -68 | -97.3 | 0 | 0 | 0 | 112.2 | K119 K121 I123 A124 D150 Y152 F167 M199 | K119-Y171 VanDerWaalsContact CD-O 3.25Å; K119-Y171 WeakPolarHBondContact CD-O 3.37Å; K119-Y171 PolarHBondContact NZ-O 3.39Å; K121-Y171 HydrophobicContact CB-CD1 3.42Å; K121-Y171 VanDerWaalsContact CB-CD1 3.42Å; K121-Y171 HydrophobicContact CB-CD2 4.22Å; K121-Y171 HydrophobicContact CB-CE1 3.49Å; K121-Y171 VanDerWaalsContact CB-CE1 3.49Å; K121-Y171 HydrophobicContact CB-CE2 4.32Å; K121-Y171 HydrophobicContact CB-CG 3.84Å; K121-Y171 HydrophobicContact CD-CD1 4.33Å; K121-Y171 HydrophobicContact CD-CD2 4.21Å; K121-Y171 HydrophobicContact CD-CE1 3.68Å; K121-Y171 HydrophobicContact CD-CE2 3.59Å; K121-Y171 WeakPolarHBondContact CD-OH 3.4Å; K121-Y171 HydrophobicContact CG-CE1 4.24Å; K121-Y171 VanDerWaalsContact O-CA 3.3Å; K121-Y171 WeakPolarHBondContact O-CA 3.31Å; I123-Y171 WeakPolarHBondContact O-CE1 3.46Å; A124-Y171 HydrophobicContact CB-CD1 3.66Å; A124-Y171 HydrophobicContact CB-CD2 3.94Å; A124-Y171 HydrophobicContact CB-CE1 3.92Å; A124-Y171 HydrophobicContact CB-CE2 4.16Å; A124-Y171 HydrophobicContact CB-CG 3.64Å; A124-Y171 VanDerWaalsContact N-CD1 3.33Å; D150-Y171 HydrophobicContact CB-CE1 3.75Å; D150-Y171 WeakPolarHBondContact CB-OH 3.42Å; D150-Y171 VanDerWaalsContact OD2-CE1 3.25Å; D150-Y171 WeakPolarHBondContact OD2-CE1 3.38Å; D150-Y171 PolarHBondContact OD2-OH 3.45Å; D150-Y171 VanDerWaalsContact OD2-OH 3.04Å; Y152-Y171 WeakPolarHBondContact CE2-OH 3.47Å; Y152-Y171 PolarHBondContact OH-OH 3.35Å; F167-Y171 HydrophobicContact CB-CD2 4.09Å; F167-Y171 AromaticContact CD1-CD2 3.81Å; F167-Y171 HydrophobicContact CD1-CD2 3.81Å; F167-Y171 AromaticContact CD1-CE2 3.59Å; F167-Y171 HydrophobicContact CD1-CE2 3.59Å; F167-Y171 HydrophobicContact CE1-CE2 4.15Å; F167-Y171 HydrophobicContact CG-CD2 4.26Å; F167-Y171 HydrophobicContact CG-CE2 4.46Å; F167-Y171 PolarHBondContact O-N 3.22Å; Y171-M199 WeakPolarHBondContact O-CG 3.3Å |
| 172 | K | 98.8 | Very high | 97.2 | Very high | 10 Ų | 10 | 23.5 Ų | 23.5 | 4% | 0.043 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | -40.9 | 174.7 | -71.4 | -172.4 | 177.5 | -179.1 | 0 | 112.6 | K119 K121 L122 M199 V200 D240 Y246 | K119-K172 HydrophobicContact CB-CG 3.84Å; K119-K172 HydrophobicContact CD-CG 4.09Å; K121-K172 PolarHBondContact O-N 3.32Å; L122-K172 PolarHBondContact O-N 2.61Å; K172-M199 WeakPolarHBondContact O-CA 3.46Å; K172-V200 PolarHBondContact O-N 2.66Å; K172-D240 HydrophobicContact CD-CB 4.46Å; K172-D240 WeakPolarHBondContact CD-OD1 3.36Å; K172-D240 WeakPolarHBondContact CE-OD1 3.09Å; K172-D240 PolarHBondContact NZ-O 2.57Å; K172-D240 IonicContact NZ-OD1 3.7Å; K172-D240 PolarHBondContact NZ-OD1 2.89Å; K172-Y246 WeakPolarHBondContact CA-OH 3.15Å; K172-Y246 HydrophobicContact CB-CD2 4.47Å; K172-Y246 HydrophobicContact CB-CE2 3.62Å; K172-Y246 HydrophobicContact CD-CE2 4.34Å; K172-Y246 HydrophobicContact CG-CE2 4.07Å; K172-Y246 PolarHBondContact O-OH 2.72Å |
| 173 | F | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 150 | -173.4 | -48.3 | -78.6 | 0 | 0 | 0 | 111.6 | L122 I123 A124 V200 I202 I221 L236 L239 Y246 | L122-F173 WeakPolarHBondContact O-CD2 3.37Å; L122-F173 PolarHBondContact O-N 3.4Å; I123-F173 WeakPolarHBondContact CA-O 3.24Å; I123-F173 HydrophobicContact CG1-CB 4.11Å; I123-F173 HydrophobicContact CG1-CD2 4.17Å; A124-F173 PolarHBondContact N-O 3.28Å; F173-V200 WeakPolarHBondContact CA-O 3.34Å; F173-V200 HydrophobicContact CD1-CB 3.85Å; F173-V200 HydrophobicContact CD1-CG1 4.4Å; F173-V200 HydrophobicContact CE1-CB 4.24Å; F173-I202 HydrophobicContact CB-CD1 3.62Å; F173-I202 HydrophobicContact CB-CG1 4.16Å; F173-I202 HydrophobicContact CD1-CD1 4.35Å; F173-I202 HydrophobicContact CD1-CG1 4.48Å; F173-I202 HydrophobicContact CG-CD1 4.06Å; F173-I221 HydrophobicContact CD1-CD1 4.36Å; F173-I221 HydrophobicContact CE1-CD1 4.15Å; F173-L236 HydrophobicContact CD1-CD2 3.79Å; F173-L236 HydrophobicContact CD2-CD2 4.39Å; F173-L236 HydrophobicContact CE1-CD2 3.7Å; F173-L236 HydrophobicContact CE2-CB 4.22Å; F173-L236 HydrophobicContact CE2-CD2 4.29Å; F173-L236 HydrophobicContact CG-CD2 4.18Å; F173-L236 HydrophobicContact CZ-CB 4.37Å; F173-L236 HydrophobicContact CZ-CD2 3.98Å; F173-L239 HydrophobicContact CE1-CB 4.34Å; F173-L239 HydrophobicContact CE1-CD1 3.92Å; F173-L239 HydrophobicContact CZ-CB 3.84Å; F173-L239 HydrophobicContact CZ-CD1 4.22Å; F173-Y246 HydrophobicContact CE1-CD2 4.13Å; F173-Y246 HydrophobicContact CE1-CE2 4.03Å; F173-Y246 HydrophobicContact CZ-CD2 4.15Å; F173-Y246 HydrophobicContact CZ-CE2 4.23Å |
| 174 | Y | 98.9 | Very high | 97.1 | Very high | 1 Ų | 1 | 23 Ų | 23 | 0% | 0.004 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 130.9 | 172.3 | -178 | -97.9 | 0 | 0 | 0 | 109.9 | A124 L126 L164 F167 S176 K189 N193 M199 V200 I202 | A124-Y174 HydrophobicContact CB-CD2 4.34Å; A124-Y174 WeakPolarHBondContact O-CA 3.36Å; L126-Y174 HydrophobicContact CB-CE2 4.24Å; L164-Y174 HydrophobicContact CD2-CE2 4.4Å; F167-Y174 HydrophobicContact CD2-CD2 4.43Å; F167-Y174 HydrophobicContact CD2-CE2 4.36Å; F167-Y174 HydrophobicContact CE2-CE2 4.46Å; Y174-S176 VanDerWaalsContact CD1-OG 3.31Å; Y174-S176 WeakPolarHBondContact CD1-OG 3.37Å; Y174-S176 PolarHBondContact O-N 3.31Å; Y174-S176 VanDerWaalsContact O-N 3.15Å; Y174-K189 HydrophobicContact CE1-CB 4.48Å; Y174-K189 WeakPolarHBondContact CE1-O 3.28Å; Y174-N193 HydrophobicContact CD1-CB 4.05Å; Y174-N193 HydrophobicContact CE1-CB 3.39Å; Y174-N193 HydrophobicContact CE2-CB 4.12Å; Y174-N193 VanDerWaalsContact CZ-CB 3.42Å; Y174-N193 PolarHBondContact OH-ND2 2.82Å; Y174-M199 HydrophobicContact CD2-CE 4.08Å; Y174-M199 HydrophobicContact CG-CE 4.27Å; Y174-V200 PolarHBondContact N-O 3.25Å; Y174-V200 VanDerWaalsContact N-O 3.11Å; Y174-I202 PolarHBondContact O-N 2.86Å |
| 175 | L | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 98.4 | 173.3 | -66.1 | -170.9 | 0 | 0 | 0 | 110.3 | I123 A124 W125 A140 L143 V149 F177 I202 | I123-L175 HydrophobicContact CG2-CD1 4.16Å; I123-L175 HydrophobicContact CG2-CD2 3.65Å; I123-L175 HydrophobicContact CG2-CG 3.46Å; I123-L175 VanDerWaalsContact CG2-CG 3.46Å; A124-L175 PolarHBondContact O-N 3.44Å; W125-L175 HydrophobicContact CB-CB 3.94Å; W125-L175 HydrophobicContact CB-CD1 4.01Å; W125-L175 HydrophobicContact CB-CG 4.18Å; W125-L175 HydrophobicContact CD2-CB 4.39Å; W125-L175 HydrophobicContact CD2-CD1 4.04Å; W125-L175 HydrophobicContact CE3-CD1 4.33Å; W125-L175 HydrophobicContact CG-CB 3.7Å; W125-L175 HydrophobicContact CG-CD1 3.94Å; W125-L175 HydrophobicContact CG-CG 4.27Å; A140-L175 HydrophobicContact CB-CD1 4.11Å; L143-L175 HydrophobicContact CD2-CD2 4.11Å; V149-L175 HydrophobicContact CG1-CD1 3.83Å; L175-F177 HydrophobicContact CB-CD1 4.48Å; L175-F177 HydrophobicContact CB-CG 4.47Å; L175-F177 HydrophobicContact CD1-CD2 4.38Å; L175-F177 HydrophobicContact CD1-CE2 4Å; L175-F177 HydrophobicContact CD1-CZ 4.33Å; L175-F177 HydrophobicContact CD2-CE1 4.06Å; L175-F177 HydrophobicContact CD2-CE2 4.38Å; L175-F177 HydrophobicContact CD2-CZ 3.88Å; L175-F177 PolarHBondContact O-N 2.86Å; L175-F177 VanDerWaalsContact O-N 3.16Å; L175-I202 HydrophobicContact CD2-CB 3.86Å; L175-I202 HydrophobicContact CD2-CD1 3.88Å; L175-I202 HydrophobicContact CD2-CG1 4.46Å; L175-I202 HydrophobicContact CD2-CG2 4.08Å |
| 176 | S | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 53 | 173.8 | -58.4 | 0 | 0 | 0 | 0 | 111 | Y174 K189 I202 | Y174-S176 VanDerWaalsContact CD1-OG 3.31Å; Y174-S176 WeakPolarHBondContact CD1-OG 3.37Å; Y174-S176 PolarHBondContact O-N 3.31Å; Y174-S176 VanDerWaalsContact O-N 3.15Å; S176-K189 WeakPolarHBondContact CB-O 3.47Å; S176-K189 PolarHBondContact OG-O 2.96Å; S176-I202 PolarHBondContact N-O 3.21Å |
| 177 | F | 97.9 | Very high | 96.9 | Very high | 1 Ų | 1 | 17.2 Ų | 17.2 | 0% | 0.004 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 125.1 | 179.2 | -69.5 | -4.4 | 0 | 0 | 0 | 111 | W125 R136 A140 L175 K189 I202 M204 V223 | W125-F177 HydrophobicContact CZ2-CD2 4.4Å; R136-F177 HydrophobicContact CB-CB 3.72Å; R136-F177 HydrophobicContact CB-CD2 3.85Å; R136-F177 HydrophobicContact CB-CG 4.22Å; A140-F177 HydrophobicContact CB-CE2 4.47Å; L175-F177 HydrophobicContact CB-CD1 4.48Å; L175-F177 HydrophobicContact CB-CG 4.47Å; L175-F177 HydrophobicContact CD1-CD2 4.38Å; L175-F177 HydrophobicContact CD1-CE2 4Å; L175-F177 HydrophobicContact CD1-CZ 4.33Å; L175-F177 HydrophobicContact CD2-CE1 4.06Å; L175-F177 HydrophobicContact CD2-CE2 4.38Å; L175-F177 HydrophobicContact CD2-CZ 3.88Å; L175-F177 PolarHBondContact O-N 2.86Å; L175-F177 VanDerWaalsContact O-N 3.16Å; F177-K189 WeakPolarHBondContact O-CD 3.08Å; F177-I202 HydrophobicContact CE1-CG2 4.12Å; F177-M204 HydrophobicContact CB-CE 4.12Å; F177-M204 HydrophobicContact CD1-CB 3.51Å; F177-M204 HydrophobicContact CD2-CE 4.17Å; F177-M204 HydrophobicContact CE1-CB 3.79Å; F177-M204 HydrophobicContact CG-CB 4.06Å; F177-M204 HydrophobicContact CG-CE 4.07Å; F177-V223 HydrophobicContact CE1-CG1 3.86Å; F177-V223 HydrophobicContact CZ-CG1 4.11Å |
| 178 | E | 96.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 9% | 0.092 | C | C | . | . | trans | -79.2 | 154.5 | -176.3 | -64.8 | -61.9 | 173.1 | 0 | 0 | 113 | S134 R136 N180 Y185 T187 K189 M204 | S134-E178 VanDerWaalsContact CB-O 3.29Å; S134-E178 WeakPolarHBondContact CB-O 3.45Å; S134-E178 PolarHBondContact OG-O 3.06Å; R136-E178 WeakPolarHBondContact CD-O 3.07Å; E178-N180 VanDerWaalsContact C-N 3.25Å; E178-N180 WeakPolarHBondContact CB-O 3.13Å; E178-N180 PolarHBondContact O-N 3.1Å; E178-Y185 HydrophobicContact CB-CD1 4.26Å; E178-Y185 HydrophobicContact CB-CE1 4.45Å; E178-Y185 HydrophobicContact CG-CD1 4.48Å; E178-T187 PolarHBondContact OE1-N 2.93Å; E178-T187 PolarHBondContact OE1-OG1 3.02Å; E178-T187 WeakPolarHBondContact OE2-CB 3.24Å; E178-T187 WeakPolarHBondContact OE2-CG2 3.12Å; E178-T187 PolarHBondContact OE2-OG1 2.98Å; E178-K189 IonicContact OE2-NZ 2.63Å; E178-M204 PolarHBondContact N-O 3.29Å | ||
| 179 | N | 94.5 | Very high | 96.8 | Very high | 25 Ų | 25 | 19.6 Ų | 19.6 | 13% | 0.134 | 9% | 0.09 | C | C | . | . | S | Bend | trans | -61.8 | -37.1 | 175.8 | -74.7 | -39.9 | 0 | 0 | 0 | 111.8 | N129 S132 Q133 S134 R136 | N129-N179 PolarHBondContact ND2-OD1 2.93Å; S132-N179 VanDerWaalsContact CB-O 3.24Å; S132-N179 WeakPolarHBondContact CB-O 3.46Å; S132-N179 PolarHBondContact OG-O 3.16Å; Q133-N179 PolarHBondContact N-O 3.15Å; S134-N179 VanDerWaalsContact CB-O 3.31Å; S134-N179 WeakPolarHBondContact CB-O 3.31Å; S134-N179 PolarHBondContact N-O 3.43Å; S134-N179 PolarHBondContact OG-O 3.13Å; R136-N179 PolarHBondContact NH2-OD1 2.03Å |
| 180 | N | 93.7 | Very high | 96.8 | Very high | 13 Ų | 13 | 13.6 Ų | 13.6 | 7% | 0.07 | 6% | 0.063 | C | C | . | . | S | Bend | trans | -137.2 | 147 | -179.5 | -65.9 | 64 | 0 | 0 | 0 | 109.2 | S62 S64 Q133 E178 C182 | S62-N180 PolarHBondContact OG-OD1 3.35Å; S62-N180 VanDerWaalsContact OG-OD1 3.05Å; S64-N180 VanDerWaalsContact CB-ND2 3.34Å; S64-N180 WeakPolarHBondContact CB-ND2 3.43Å; S64-N180 PolarHBondContact OG-ND2 3.26Å; S64-N180 PolarHBondContact OG-OD1 3.49Å; Q133-N180 WeakPolarHBondContact CB-ND2 3.5Å; Q133-N180 WeakPolarHBondContact CG-ND2 3.49Å; E178-N180 VanDerWaalsContact C-N 3.25Å; E178-N180 WeakPolarHBondContact CB-O 3.13Å; E178-N180 PolarHBondContact O-N 3.1Å; N180-C182 WeakPolarHBondContact CB-SG 3.21Å; N180-C182 PolarHBondContact O-N 3.37Å |
| 181 | I | 94.7 | Very high | 96.9 | Very high | 17 Ų | 17 | 10.6 Ų | 10.6 | 9% | 0.087 | 5% | 0.05 | C | C | . | . | trans | -90.7 | 93.1 | 174.5 | -62.3 | 175.8 | 0 | 0 | 0 | 106 | M204 G205 R298 P300 | I181-M204 HydrophobicContact CD1-CG 4.45Å; I181-G205 WeakPolarHBondContact CG2-O 3.44Å; I181-R298 HydrophobicContact CB-CB 4.42Å; I181-R298 HydrophobicContact CG2-CB 3.69Å; I181-R298 VanDerWaalsContact O-CB 3.31Å; I181-R298 WeakPolarHBondContact O-CB 3.45Å; I181-P300 HydrophobicContact CD1-CG 3.59Å | ||
| 182 | C | 95 | Very high | 96.8 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 6% | 0.064 | C | C | . | . | trans | -128.3 | 155.5 | -176.4 | -56.5 | 0 | 0 | 0 | 0 | 110.6 | N180 D184 Y185 G294 C295 | N180-C182 WeakPolarHBondContact CB-SG 3.21Å; N180-C182 PolarHBondContact O-N 3.37Å; C182-D184 PolarHBondContact O-N 2.95Å; C182-Y185 PolarHBondContact O-N 3.21Å; C182-G294 CarbonylContact C-O 3.58Å; C182-G294 WeakPolarHBondContact CA-O 3.03Å; C182-C295 HydrophobicContact CB-CB 4.05Å; C182-C295 WeakPolarHBondContact CB-SG 3.4Å; C182-C295 WeakPolarHBondContact SG-CB 3.25Å; C182-C295 CovalentContact SG-SG 2.03Å; C182-C295 PolarHBondContact SG-SG 3.44Å | ||
| 183 | K | 95 | Very high | 96.8 | Very high | 69 Ų | 69 | 14 Ų | 14 | 30% | 0.3 | 7% | 0.066 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | 128.5 | 174.1 | -177 | -171.4 | 173.1 | -178.6 | 0 | 109.3 | Y82 D85 Y185 E210 G294 | Y82-K183 VanDerWaalsContact CE2-O 3.3Å; Y82-K183 WeakPolarHBondContact CE2-O 3.24Å; D85-K183 IonicContact OD2-NZ 2.78Å; D85-K183 PolarHBondContact OD2-NZ 2.85Å; K183-Y185 PolarHBondContact O-N 3.38Å; K183-E210 WeakPolarHBondContact CA-OE1 3.28Å; K183-E210 WeakPolarHBondContact CG-OE1 3.16Å; K183-G294 WeakPolarHBondContact CB-O 3.13Å; K183-G294 PolarHBondContact N-O 3.24Å |
| 184 | D | 95.1 | Very high | 96.8 | Very high | 8 Ų | 8 | 14 Ų | 14 | 4% | 0.043 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | 3.4 | 178.2 | -50.1 | -34.2 | 0 | 0 | 0 | 116.7 | Y82 L84 C182 I186 E210 R213 | Y82-D184 HydrophobicContact CD2-CB 4.44Å; L84-D184 HydrophobicContact CG-CB 4.24Å; L84-D184 PolarHBondContact N-OD2 2.92Å; C182-D184 PolarHBondContact O-N 2.95Å; D184-I186 PolarHBondContact O-N 3.34Å; D184-E210 PolarHBondContact N-OE1 3.02Å; D184-R213 IonicContact OD1-CZ 2.75Å; D184-R213 IonicContact OD1-NH2 3.69Å; D184-R213 PolarHBondContact OD1-NH2 3.17Å |
| 185 | Y | 95.9 | Very high | 96.7 | Very high | 5 Ų | 5 | 14.1 Ų | 14.1 | 2% | 0.02 | 7% | 0.067 | C | C | . | . | trans | -79.4 | 91.9 | -178.5 | -170 | -115.7 | 0 | 0 | 0 | 110.8 | Y82 Y92 E178 C182 K183 T187 | Y82-Y185 AromaticContact CD1-CD2 3.61Å; Y82-Y185 HydrophobicContact CD1-CD2 3.61Å; Y82-Y185 HydrophobicContact CD1-CE2 4.05Å; Y82-Y185 AromaticContact CD2-CD2 3.89Å; Y82-Y185 HydrophobicContact CD2-CD2 3.89Å; Y82-Y185 HydrophobicContact CD2-CG 4.46Å; Y82-Y185 AromaticContact CE1-CD2 3.42Å; Y82-Y185 HydrophobicContact CE1-CD2 3.42Å; Y82-Y185 VanDerWaalsContact CE1-CD2 3.42Å; Y82-Y185 AromaticContact CE1-CE2 3.92Å; Y82-Y185 HydrophobicContact CE1-CE2 3.92Å; Y82-Y185 HydrophobicContact CE1-CG 4.39Å; Y82-Y185 AromaticContact CE2-CD2 3.72Å; Y82-Y185 HydrophobicContact CE2-CD2 3.72Å; Y82-Y185 HydrophobicContact CE2-CG 4.08Å; Y82-Y185 AromaticContact CG-CD2 3.85Å; Y82-Y185 HydrophobicContact CG-CD2 3.85Å; Y82-Y185 AromaticContact CZ-CD2 3.48Å; Y82-Y185 VanDerWaalsContact CZ-CD2 3.48Å; Y92-Y185 HydrophobicContact CE2-CD2 4.49Å; Y92-Y185 HydrophobicContact CE2-CE2 4.02Å; E178-Y185 HydrophobicContact CB-CD1 4.26Å; E178-Y185 HydrophobicContact CB-CE1 4.45Å; E178-Y185 HydrophobicContact CG-CD1 4.48Å; C182-Y185 PolarHBondContact O-N 3.21Å; K183-Y185 PolarHBondContact O-N 3.38Å; Y185-T187 HydrophobicContact CD1-CG2 4.13Å; Y185-T187 HydrophobicContact CD2-CG2 4.17Å; Y185-T187 HydrophobicContact CE1-CG2 3.65Å; Y185-T187 HydrophobicContact CE2-CG2 3.7Å; Y185-T187 HydrophobicContact CG-CG2 4.38Å; Y185-T187 VanDerWaalsContact CZ-CG2 3.41Å | ||
| 186 | I | 96.8 | Very high | 96.7 | Very high | 2 Ų | 2 | 18 Ų | 18 | 1% | 0.01 | 9% | 0.087 | C | C | . | . | trans | -130.2 | 116.5 | -179.6 | -60.5 | 169.7 | 0 | 0 | 0 | 107.4 | Y92 D184 F190 F191 Y211 I214 | Y92-I186 WeakPolarHBondContact CB-O 3.33Å; D184-I186 PolarHBondContact O-N 3.34Å; I186-F190 HydrophobicContact CG2-CB 3.67Å; I186-F190 HydrophobicContact CG2-CD1 3.47Å; I186-F190 VanDerWaalsContact CG2-CD1 3.47Å; I186-F190 HydrophobicContact CG2-CE1 4.36Å; I186-F190 HydrophobicContact CG2-CG 3.73Å; I186-F191 HydrophobicContact CB-CE2 4.27Å; I186-F191 HydrophobicContact CG2-CD2 4.33Å; I186-F191 HydrophobicContact CG2-CE2 3.58Å; I186-F191 HydrophobicContact CG2-CZ 3.96Å; I186-Y211 HydrophobicContact CB-CE1 4.2Å; I186-Y211 HydrophobicContact CD1-CD1 3.63Å; I186-Y211 HydrophobicContact CD1-CD2 4.03Å; I186-Y211 HydrophobicContact CD1-CE1 3.93Å; I186-Y211 HydrophobicContact CD1-CE2 4.31Å; I186-Y211 HydrophobicContact CD1-CG 3.67Å; I186-Y211 HydrophobicContact CG1-CD1 3.96Å; I186-Y211 HydrophobicContact CG1-CD2 4.41Å; I186-Y211 HydrophobicContact CG1-CE1 3.7Å; I186-Y211 HydrophobicContact CG1-CE2 4.18Å; I186-Y211 HydrophobicContact CG1-CG 4.3Å; I186-Y211 HydrophobicContact CG2-CD1 3.9Å; I186-Y211 HydrophobicContact CG2-CE1 3.52Å; I186-I214 HydrophobicContact CB-CD1 3.95Å; I186-I214 HydrophobicContact CD1-CD1 3.45Å; I186-I214 VanDerWaalsContact CD1-CD1 3.45Å; I186-I214 HydrophobicContact CD1-CG1 4.03Å; I186-I214 HydrophobicContact CG1-CD1 4.23Å; I186-I214 HydrophobicContact CG2-CD1 4.2Å | ||
| 187 | T | 96 | Very high | 96.7 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 10% | 0.098 | C | C | . | . | trans | -108.3 | -173.3 | -161.2 | 71 | 0 | 0 | 0 | 0 | 113.8 | Y92 E178 Y185 K189 F190 F191 | Y92-T187 HydrophobicContact CD1-CG2 4.28Å; Y92-T187 HydrophobicContact CD2-CG2 4.24Å; Y92-T187 HydrophobicContact CE1-CG2 3.96Å; Y92-T187 HydrophobicContact CE2-CG2 3.98Å; Y92-T187 VanDerWaalsContact CG-CA 3.5Å; Y92-T187 HydrophobicContact CG-CG2 4.42Å; E178-T187 PolarHBondContact OE1-N 2.93Å; E178-T187 PolarHBondContact OE1-OG1 3.02Å; E178-T187 WeakPolarHBondContact OE2-CB 3.24Å; E178-T187 WeakPolarHBondContact OE2-CG2 3.12Å; E178-T187 PolarHBondContact OE2-OG1 2.98Å; Y185-T187 HydrophobicContact CD1-CG2 4.13Å; Y185-T187 HydrophobicContact CD2-CG2 4.17Å; Y185-T187 HydrophobicContact CE1-CG2 3.65Å; Y185-T187 HydrophobicContact CE2-CG2 3.7Å; Y185-T187 HydrophobicContact CG-CG2 4.38Å; Y185-T187 VanDerWaalsContact CZ-CG2 3.41Å; T187-K189 PolarHBondContact O-N 3.26Å; T187-K189 VanDerWaalsContact O-N 3.11Å; T187-K189 PolarHBondContact OG1-N 2.77Å; T187-K189 PolarHBondContact OG1-NZ 3Å; T187-F190 PolarHBondContact O-N 3.27Å; T187-F191 WeakPolarHBondContact O-CD2 3.45Å; T187-F191 PolarHBondContact O-N 3.12Å | ||
| 188 | E | 95.8 | Very high | 96.7 | Very high | 46 Ų | 46 | 23.1 Ų | 23.1 | 22% | 0.215 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -55.9 | -25.1 | 172.7 | 78.8 | -64.7 | 152.8 | 0 | 0 | 112.4 | Y92 F190 Q192 N193 W261 | Y92-E188 HydrophobicContact CD1-CB 4.42Å; Y92-E188 WeakPolarHBondContact CD1-OE2 3.46Å; Y92-E188 VanDerWaalsContact CE1-OE2 3.25Å; Y92-E188 WeakPolarHBondContact CE1-OE2 3.19Å; E188-F190 PolarHBondContact O-N 3.15Å; E188-Q192 HydrophobicContact CB-CB 4.11Å; E188-Q192 CarbonylContact O-C 3.55Å; E188-Q192 WeakPolarHBondContact O-CA 3.26Å; E188-Q192 VanDerWaalsContact O-CB 3.29Å; E188-Q192 WeakPolarHBondContact O-CB 3.13Å; E188-Q192 PolarHBondContact O-N 3.27Å; E188-N193 PolarHBondContact O-N 2.94Å; E188-W261 HydrophobicContact CB-CZ2 4.49Å |
| 189 | K | 97.8 | Very high | 96.7 | Very high | 26 Ų | 26 | 23.1 Ų | 23.1 | 11% | 0.113 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -58.7 | -36 | 175.1 | -68.6 | 166.9 | -151.9 | 61.7 | 0 | 112 | Y174 S176 F177 E178 T187 G194 | Y174-K189 HydrophobicContact CE1-CB 4.48Å; Y174-K189 WeakPolarHBondContact CE1-O 3.28Å; S176-K189 WeakPolarHBondContact CB-O 3.47Å; S176-K189 PolarHBondContact OG-O 2.96Å; F177-K189 WeakPolarHBondContact O-CD 3.08Å; E178-K189 IonicContact OE2-NZ 2.63Å; T187-K189 PolarHBondContact O-N 3.26Å; T187-K189 VanDerWaalsContact O-N 3.11Å; T187-K189 PolarHBondContact OG1-N 2.77Å; T187-K189 PolarHBondContact OG1-NZ 3Å; K189-G194 PolarHBondContact O-N 3.17Å |
| 190 | F | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -80.1 | -58.6 | 178 | 176.7 | -112.4 | 0 | 0 | 0 | 110.9 | I186 T187 E188 G194 L195 P201 V203 Y211 A215 F220 | I186-F190 HydrophobicContact CG2-CB 3.67Å; I186-F190 HydrophobicContact CG2-CD1 3.47Å; I186-F190 VanDerWaalsContact CG2-CD1 3.47Å; I186-F190 HydrophobicContact CG2-CE1 4.36Å; I186-F190 HydrophobicContact CG2-CG 3.73Å; T187-F190 PolarHBondContact O-N 3.27Å; E188-F190 PolarHBondContact O-N 3.15Å; F190-G194 PolarHBondContact O-N 2.94Å; F190-L195 HydrophobicContact CD1-CD1 4.28Å; F190-L195 HydrophobicContact CE1-CD1 3.67Å; F190-L195 HydrophobicContact CE2-CD1 4.4Å; F190-L195 HydrophobicContact CE2-CG 4.49Å; F190-L195 HydrophobicContact CZ-CD1 3.73Å; F190-L195 HydrophobicContact CZ-CG 4.29Å; F190-L195 PolarHBondContact O-N 3.3Å; F190-L195 VanDerWaalsContact O-N 3.1Å; F190-P201 HydrophobicContact CD2-CB 3.68Å; F190-P201 HydrophobicContact CD2-CG 3.96Å; F190-P201 HydrophobicContact CE2-CB 3.82Å; F190-P201 HydrophobicContact CE2-CG 3.84Å; F190-V203 HydrophobicContact CD2-CG1 3.44Å; F190-V203 VanDerWaalsContact CD2-CG1 3.44Å; F190-V203 HydrophobicContact CE2-CG1 3.79Å; F190-V203 HydrophobicContact CG-CG1 4.49Å; F190-Y211 HydrophobicContact CB-CE1 4.36Å; F190-Y211 HydrophobicContact CD1-CD1 4.4Å; F190-Y211 HydrophobicContact CD1-CE1 4.48Å; F190-Y211 HydrophobicContact CD2-CD1 4.09Å; F190-Y211 AromaticContact CD2-CE1 3.95Å; F190-Y211 HydrophobicContact CD2-CE1 3.95Å; F190-Y211 HydrophobicContact CE1-CD1 4.38Å; F190-Y211 HydrophobicContact CE2-CD1 4.07Å; F190-Y211 HydrophobicContact CE2-CE1 4.37Å; F190-Y211 HydrophobicContact CG-CD1 4.25Å; F190-Y211 AromaticContact CG-CE1 4Å; F190-Y211 HydrophobicContact CG-CE1 4Å; F190-Y211 HydrophobicContact CZ-CD1 4.22Å; F190-A215 HydrophobicContact CE1-CB 3.77Å; F190-A215 HydrophobicContact CZ-CB 3.53Å; F190-F220 HydrophobicContact CE2-CB 3.65Å; F190-F220 HydrophobicContact CE2-CD1 4.32Å; F190-F220 HydrophobicContact CE2-CG 4.02Å; F190-F220 HydrophobicContact CZ-CB 4.21Å; F190-F220 HydrophobicContact CZ-CD1 4.12Å; F190-F220 HydrophobicContact CZ-CG 4.29Å |
| 191 | F | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -75.3 | -56.2 | -171.4 | -59.9 | -78.1 | 0 | 0 | 0 | 112.7 | G93 I186 T187 L195 L196 I214 V258 V260 | G93-F191 WeakPolarHBondContact O-CE2 3.47Å; G93-F191 WeakPolarHBondContact O-CZ 3.15Å; I186-F191 HydrophobicContact CB-CE2 4.27Å; I186-F191 HydrophobicContact CG2-CD2 4.33Å; I186-F191 HydrophobicContact CG2-CE2 3.58Å; I186-F191 HydrophobicContact CG2-CZ 3.96Å; T187-F191 WeakPolarHBondContact O-CD2 3.45Å; T187-F191 PolarHBondContact O-N 3.12Å; F191-L195 HydrophobicContact CD1-CD1 4.25Å; F191-L195 WeakPolarHBondContact O-CB 3.43Å; F191-L195 PolarHBondContact O-N 3.02Å; F191-L196 WeakPolarHBondContact O-CG 3.39Å; F191-L196 PolarHBondContact O-N 3.45Å; F191-I214 HydrophobicContact CE1-CG1 4.49Å; F191-I214 HydrophobicContact CE2-CD1 4.3Å; F191-I214 HydrophobicContact CZ-CD1 3.6Å; F191-I214 HydrophobicContact CZ-CG1 3.92Å; F191-V258 HydrophobicContact CB-CG1 4.14Å; F191-V258 HydrophobicContact CD1-CG1 3.89Å; F191-V258 HydrophobicContact CG-CG1 4.5Å; F191-V260 HydrophobicContact CB-CG1 4.31Å; F191-V260 HydrophobicContact CB-CG2 3.55Å |
| 192 | Q | 97.6 | Very high | 97.4 | Very high | 64 Ų | 64 | 20.6 Ų | 20.6 | 30% | 0.299 | 10% | 0.097 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -65.2 | -176.7 | -177 | 172.2 | -15.6 | 0 | 0 | 109.8 | E188 G194 Y197 V260 | E188-Q192 HydrophobicContact CB-CB 4.11Å; E188-Q192 CarbonylContact O-C 3.55Å; E188-Q192 WeakPolarHBondContact O-CA 3.26Å; E188-Q192 VanDerWaalsContact O-CB 3.29Å; E188-Q192 WeakPolarHBondContact O-CB 3.13Å; E188-Q192 PolarHBondContact O-N 3.27Å; Q192-G194 VanDerWaalsContact C-N 3.3Å; Q192-G194 PolarHBondContact O-N 3.11Å; Q192-Y197 HydrophobicContact CG-CE2 4.16Å; Q192-Y197 WeakPolarHBondContact O-CD2 3.25Å; Q192-V260 HydrophobicContact CB-CG1 4.24Å; Q192-V260 HydrophobicContact CB-CG2 4.48Å |
| 193 | N | 98.3 | Very high | 97.6 | Very high | 17 Ų | 17 | 20.6 Ų | 20.6 | 9% | 0.091 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -28.6 | -169 | -57.5 | -6.2 | 0 | 0 | 0 | 113.5 | L164 Y174 E188 M199 | L164-N193 HydrophobicContact CD1-CB 4.41Å; L164-N193 VanDerWaalsContact CD1-OD1 3.25Å; L164-N193 WeakPolarHBondContact CD1-OD1 3.3Å; L164-N193 HydrophobicContact CD2-CB 3.78Å; Y174-N193 HydrophobicContact CD1-CB 4.05Å; Y174-N193 HydrophobicContact CE1-CB 3.39Å; Y174-N193 HydrophobicContact CE2-CB 4.12Å; Y174-N193 VanDerWaalsContact CZ-CB 3.42Å; Y174-N193 PolarHBondContact OH-ND2 2.82Å; E188-N193 PolarHBondContact O-N 2.94Å; N193-M199 WeakPolarHBondContact O-CE 3.5Å |
| 194 | G | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93 | -82.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | K189 F190 Q192 L196 Y197 M199 | K189-G194 PolarHBondContact O-N 3.17Å; F190-G194 PolarHBondContact O-N 2.94Å; Q192-G194 VanDerWaalsContact C-N 3.3Å; Q192-G194 PolarHBondContact O-N 3.11Å; G194-L196 PolarHBondContact O-N 3.12Å; G194-Y197 CarbonylContact O-C 3.59Å; G194-Y197 PolarHBondContact O-N 3.44Å; G194-M199 CarbonylContact C-O 3.59Å; G194-M199 PolarHBondContact O-N 3.11Å |
| 195 | L | 98.5 | Very high | 97.7 | Very high | 3 Ų | 3 | 17.3 Ų | 17.3 | 2% | 0.016 | 8% | 0.084 | C | C | . | . | G | 310 helix | trans | -57 | -53 | -169.6 | -63.7 | 176.5 | 0 | 0 | 0 | 112.8 | F190 F191 Y197 N198 P201 P216 W252 V258 | F190-L195 HydrophobicContact CD1-CD1 4.28Å; F190-L195 HydrophobicContact CE1-CD1 3.67Å; F190-L195 HydrophobicContact CE2-CD1 4.4Å; F190-L195 HydrophobicContact CE2-CG 4.49Å; F190-L195 HydrophobicContact CZ-CD1 3.73Å; F190-L195 HydrophobicContact CZ-CG 4.29Å; F190-L195 PolarHBondContact O-N 3.3Å; F190-L195 VanDerWaalsContact O-N 3.1Å; F191-L195 HydrophobicContact CD1-CD1 4.25Å; F191-L195 WeakPolarHBondContact O-CB 3.43Å; F191-L195 PolarHBondContact O-N 3.02Å; L195-Y197 PolarHBondContact O-N 2.88Å; L195-N198 PolarHBondContact O-N 2.73Å; L195-P201 HydrophobicContact CD2-CG 3.65Å; L195-P201 HydrophobicContact CG-CG 3.89Å; L195-P216 HydrophobicContact CD1-CG 4.04Å; L195-W252 HydrophobicContact CB-CH2 4.29Å; L195-W252 HydrophobicContact CB-CZ2 4.05Å; L195-W252 HydrophobicContact CD2-CZ2 3.98Å; L195-V258 HydrophobicContact CD1-CG2 4.07Å |
| 196 | L | 98 | Very high | 97.6 | Very high | 81 Ų | 81 | 17.1 Ų | 17.1 | 42% | 0.424 | 8% | 0.084 | S | C | . | . | G | 310 helix | trans | -67.9 | -19.3 | -176.8 | -68.2 | -173.2 | 0 | 0 | 0 | 113.9 | F191 G194 V258 V260 | F191-L196 WeakPolarHBondContact O-CG 3.39Å; F191-L196 PolarHBondContact O-N 3.45Å; G194-L196 PolarHBondContact O-N 3.12Å; L196-V258 HydrophobicContact CD2-CB 3.93Å; L196-V258 HydrophobicContact CD2-CG1 4.12Å; L196-V258 HydrophobicContact CG-CG1 4.3Å; L196-V260 HydrophobicContact CD1-CG2 3.59Å; L196-V260 HydrophobicContact CG-CG2 4.34Å |
| 197 | Y | 98.2 | Very high | 97.6 | Very high | 62 Ų | 62 | 18.5 Ų | 18.5 | 24% | 0.243 | 9% | 0.093 | C | C | . | . | G | 310 helix | trans | -99.7 | 25.4 | 175.1 | -74.9 | -77.6 | 0 | 0 | 0 | 113.5 | L164 S168 Q192 G194 L195 M199 | L164-Y197 HydrophobicContact CB-CD1 3.82Å; L164-Y197 HydrophobicContact CB-CD2 3.63Å; L164-Y197 HydrophobicContact CB-CE1 3.62Å; L164-Y197 HydrophobicContact CB-CE2 3.48Å; L164-Y197 VanDerWaalsContact CB-CE2 3.48Å; L164-Y197 HydrophobicContact CB-CG 3.82Å; L164-Y197 VanDerWaalsContact CB-CZ 3.45Å; L164-Y197 HydrophobicContact CD1-CD2 3.87Å; L164-Y197 HydrophobicContact CD1-CE2 3.34Å; L164-Y197 HydrophobicContact CG-CD2 4.2Å; L164-Y197 HydrophobicContact CG-CE2 3.99Å; L164-Y197 WeakPolarHBondContact O-CD1 3.35Å; S168-Y197 VanDerWaalsContact CA-O 3.28Å; S168-Y197 WeakPolarHBondContact CA-O 3.32Å; S168-Y197 WeakPolarHBondContact CB-O 3.45Å; Q192-Y197 HydrophobicContact CG-CE2 4.16Å; Q192-Y197 WeakPolarHBondContact O-CD2 3.25Å; G194-Y197 CarbonylContact O-C 3.59Å; G194-Y197 PolarHBondContact O-N 3.44Å; L195-Y197 PolarHBondContact O-N 2.88Å; Y197-M199 VanDerWaalsContact C-N 3.26Å; Y197-M199 PolarHBondContact O-N 3.32Å |
| 198 | N | 97.3 | Very high | 97.6 | Very high | 47 Ų | 47 | 23.8 Ų | 23.8 | 25% | 0.251 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 41.5 | 171.2 | -59.3 | -54 | 0 | 0 | 0 | 113.1 | Y115 K119 L195 F250 H253 | Y115-N198 HydrophobicContact CD1-CB 4.15Å; Y115-N198 HydrophobicContact CE1-CB 4.37Å; Y115-N198 WeakPolarHBondContact CE1-OD1 3.16Å; K119-N198 WeakPolarHBondContact CE-O 3.43Å; K119-N198 PolarHBondContact NZ-O 3.37Å; L195-N198 PolarHBondContact O-N 2.73Å; N198-F250 VanDerWaalsContact C-CE1 3.46Å; N198-F250 HydrophobicContact CB-CE1 4.44Å; N198-H253 PolarHBondContact OD1-NE2 2.85Å |
| 199 | M | 98.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | trans | -125.4 | 146.4 | 172.6 | -68.1 | 178.9 | -73.7 | 0 | 0 | 109.1 | F167 Y171 K172 Y174 N193 G194 Y197 P201 | F167-M199 HydrophobicContact CB-CE 3.68Å; F167-M199 HydrophobicContact CB-SD 3.64Å; Y171-M199 WeakPolarHBondContact O-CG 3.3Å; K172-M199 WeakPolarHBondContact O-CA 3.46Å; Y174-M199 HydrophobicContact CD2-CE 4.08Å; Y174-M199 HydrophobicContact CG-CE 4.27Å; N193-M199 WeakPolarHBondContact O-CE 3.5Å; G194-M199 CarbonylContact C-O 3.59Å; G194-M199 PolarHBondContact O-N 3.11Å; Y197-M199 VanDerWaalsContact C-N 3.26Å; Y197-M199 PolarHBondContact O-N 3.32Å; M199-P201 VanDerWaalsContact O-CD 3.22Å; M199-P201 WeakPolarHBondContact O-CD 3.42Å | ||
| 200 | V | 98.8 | Very high | 97.5 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.006 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 117.5 | 174.9 | -177.5 | 0 | 0 | 0 | 0 | 108.7 | K172 F173 Y174 I202 I221 Y246 Y249 F250 | K172-V200 PolarHBondContact O-N 2.66Å; F173-V200 WeakPolarHBondContact CA-O 3.34Å; F173-V200 HydrophobicContact CD1-CB 3.85Å; F173-V200 HydrophobicContact CD1-CG1 4.4Å; F173-V200 HydrophobicContact CE1-CB 4.24Å; Y174-V200 PolarHBondContact N-O 3.25Å; Y174-V200 VanDerWaalsContact N-O 3.11Å; V200-I202 PolarHBondContact O-N 3.45Å; V200-I221 HydrophobicContact CG1-CD1 3.82Å; V200-I221 HydrophobicContact CG1-CG1 3.84Å; V200-Y246 HydrophobicContact CG2-CD2 4.17Å; V200-Y246 HydrophobicContact CG2-CE2 3.62Å; V200-Y249 HydrophobicContact CG1-CD1 3.64Å; V200-Y249 HydrophobicContact CG1-CE1 4.13Å; V200-Y249 HydrophobicContact CG1-CG 3.94Å; V200-Y249 HydrophobicContact CG2-CD1 4.49Å; V200-Y249 HydrophobicContact CG2-CG 3.97Å; V200-F250 HydrophobicContact CG2-CD2 4.42Å; V200-F250 HydrophobicContact CG2-CE2 3.36Å; V200-F250 HydrophobicContact CG2-CZ 3.49Å; V200-F250 VanDerWaalsContact CG2-CZ 3.49Å |
| 201 | P | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 127.9 | 177.4 | -16.5 | 32 | 0 | 0 | 0 | 110.6 | F190 L195 M199 V203 S219 F220 I221 | F190-P201 HydrophobicContact CD2-CB 3.68Å; F190-P201 HydrophobicContact CD2-CG 3.96Å; F190-P201 HydrophobicContact CE2-CB 3.82Å; F190-P201 HydrophobicContact CE2-CG 3.84Å; L195-P201 HydrophobicContact CD2-CG 3.65Å; L195-P201 HydrophobicContact CG-CG 3.89Å; M199-P201 VanDerWaalsContact O-CD 3.22Å; M199-P201 WeakPolarHBondContact O-CD 3.42Å; P201-V203 HydrophobicContact CB-CG1 3.96Å; P201-S219 VanDerWaalsContact CD-O 3.23Å; P201-S219 WeakPolarHBondContact CD-O 3.32Å; P201-F220 HydrophobicContact CB-CB 4.35Å; P201-F220 HydrophobicContact CG-CB 4.48Å; P201-I221 PolarHBondContact O-N 3.25Å |
| 202 | I | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 111.4 | 165.2 | -56.3 | 165.1 | 0 | 0 | 0 | 107 | I123 F173 Y174 L175 S176 F177 V200 I221 V223 L232 L236 | I123-I202 HydrophobicContact CD1-CD1 4.11Å; I123-I202 HydrophobicContact CG1-CD1 4.39Å; F173-I202 HydrophobicContact CB-CD1 3.62Å; F173-I202 HydrophobicContact CB-CG1 4.16Å; F173-I202 HydrophobicContact CD1-CD1 4.35Å; F173-I202 HydrophobicContact CD1-CG1 4.48Å; F173-I202 HydrophobicContact CG-CD1 4.06Å; Y174-I202 PolarHBondContact O-N 2.86Å; L175-I202 HydrophobicContact CD2-CB 3.86Å; L175-I202 HydrophobicContact CD2-CD1 3.88Å; L175-I202 HydrophobicContact CD2-CG1 4.46Å; L175-I202 HydrophobicContact CD2-CG2 4.08Å; S176-I202 PolarHBondContact N-O 3.21Å; F177-I202 HydrophobicContact CE1-CG2 4.12Å; V200-I202 PolarHBondContact O-N 3.45Å; I202-I221 CarbonylContact C-O 3.55Å; I202-I221 VanDerWaalsContact CA-O 3.28Å; I202-I221 WeakPolarHBondContact CA-O 3.14Å; I202-I221 HydrophobicContact CG1-CB 4.48Å; I202-V223 HydrophobicContact CG2-CG1 4.25Å; I202-L232 HydrophobicContact CG2-CD2 4.24Å; I202-L236 HydrophobicContact CD1-CD1 3.51Å; I202-L236 HydrophobicContact CD1-CD2 3.81Å; I202-L236 HydrophobicContact CD1-CG 4.33Å; I202-L236 HydrophobicContact CG1-CD2 4.21Å |
| 203 | V | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 142.5 | -166.9 | -57 | 0 | 0 | 0 | 0 | 112.7 | F190 P201 Y211 F220 I221 H222 V223 | F190-V203 HydrophobicContact CD2-CG1 3.44Å; F190-V203 VanDerWaalsContact CD2-CG1 3.44Å; F190-V203 HydrophobicContact CE2-CG1 3.79Å; F190-V203 HydrophobicContact CG-CG1 4.49Å; P201-V203 HydrophobicContact CB-CG1 3.96Å; V203-Y211 HydrophobicContact CB-CD1 4.27Å; V203-Y211 HydrophobicContact CB-CE1 3.68Å; V203-Y211 HydrophobicContact CB-CE2 4.08Å; V203-Y211 HydrophobicContact CG1-CD1 4.08Å; V203-Y211 HydrophobicContact CG1-CE1 3.6Å; V203-Y211 HydrophobicContact CG2-CD1 4.12Å; V203-Y211 HydrophobicContact CG2-CD2 4.05Å; V203-Y211 HydrophobicContact CG2-CE1 4Å; V203-Y211 HydrophobicContact CG2-CE2 3.92Å; V203-Y211 HydrophobicContact CG2-CG 4.16Å; V203-F220 HydrophobicContact CG1-CD2 4.49Å; V203-F220 HydrophobicContact CG2-CD2 3.62Å; V203-F220 HydrophobicContact CG2-CE2 4.06Å; V203-I221 PolarHBondContact N-O 2.97Å; V203-H222 HydrophobicContact CG2-CB 3.87Å; V203-H222 VanDerWaalsContact CG2-CD2 3.47Å; V203-H222 WeakPolarHBondContact CG2-CD2 3.47Å; V203-V223 WeakPolarHBondContact O-CG1 3.47Å; V203-V223 PolarHBondContact O-N 2.98Å |
| 204 | M | 97.1 | Very high | 97.1 | Very high | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 107.6 | 168.2 | -178.2 | -169.7 | 67.9 | 0 | 0 | 107.6 | P135 R136 Y139 F177 E178 I181 V223 P300 | P135-M204 HydrophobicContact CG-CE 4.43Å; P135-M204 HydrophobicContact CG-SD 4.17Å; R136-M204 VanDerWaalsContact CA-CE 3.45Å; R136-M204 HydrophobicContact CB-CE 3.45Å; R136-M204 VanDerWaalsContact CB-CE 3.45Å; Y139-M204 HydrophobicContact CD1-SD 3.76Å; Y139-M204 HydrophobicContact CD2-SD 4.15Å; Y139-M204 HydrophobicContact CE1-SD 4.13Å; Y139-M204 HydrophobicContact CE2-SD 4.48Å; Y139-M204 HydrophobicContact CG-SD 3.8Å; F177-M204 HydrophobicContact CB-CE 4.12Å; F177-M204 HydrophobicContact CD1-CB 3.51Å; F177-M204 HydrophobicContact CD2-CE 4.17Å; F177-M204 HydrophobicContact CE1-CB 3.79Å; F177-M204 HydrophobicContact CG-CB 4.06Å; F177-M204 HydrophobicContact CG-CE 4.07Å; E178-M204 PolarHBondContact N-O 3.29Å; I181-M204 HydrophobicContact CD1-CG 4.45Å; M204-V223 HydrophobicContact CB-CG1 4.2Å; M204-V223 HydrophobicContact CB-CG2 3.8Å; M204-V223 HydrophobicContact CG-CG2 3.81Å; M204-P300 HydrophobicContact CG-CG 4.09Å; M204-P300 HydrophobicContact SD-CG 3.77Å |
| 205 | G | 95.9 | Very high | 97.1 | Very high | 6 Ų | 6 | 32.3 Ų | 32.3 | 6% | 0.062 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -174.3 | -117.8 | -172.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | I181 | I181-G205 WeakPolarHBondContact CG2-O 3.44Š|
| 206 | G | 94.4 | Very high | 97.1 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -53.5 | 169.4 | 166.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y211 H222 | G206-Y211 WeakPolarHBondContact O-CE2 3.49Å; G206-H222 PolarHBondContact O-NE2 2.89Å |
| 207 | S | 95.5 | Very high | 97.1 | Very high | 31 Ų | 31 | 28.8 Ų | 28.8 | 22% | 0.217 | 13% | 0.134 | C | C | . | . | trans | -64.7 | 162.2 | 172.4 | 64.8 | 0 | 0 | 0 | 0 | 111 | E209 E210 Y211 | S207-E209 PolarHBondContact O-N 2.9Å; S207-E210 WeakPolarHBondContact CA-OE2 3.39Å; S207-E210 WeakPolarHBondContact CB-OE2 3.35Å; S207-E210 PolarHBondContact N-OE2 3.41Å; S207-E210 WeakPolarHBondContact O-CB 3.49Å; S207-E210 PolarHBondContact O-N 2.63Å; S207-E210 VanDerWaalsContact OG-CD 3.31Å; S207-E210 VanDerWaalsContact OG-CG 3.28Å; S207-E210 WeakPolarHBondContact OG-CG 3.28Å; S207-E210 PolarHBondContact OG-N 3.14Å; S207-E210 PolarHBondContact OG-OE2 3.2Å; S207-Y211 WeakPolarHBondContact O-CD2 3.47Å; S207-Y211 PolarHBondContact O-N 3.18Å; S207-Y211 VanDerWaalsContact O-N 3.1Å | ||
| 208 | R | 95.8 | Very high | 97 | Very high | 112 Ų | 112 | 28.2 Ų | 28.2 | 42% | 0.423 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -54.7 | -42.1 | 175.6 | -178.4 | -178.7 | 173.3 | -166.2 | -5 | 111.3 | E210 Y211 T212 H222 | R208-E210 VanDerWaalsContact C-N 3.31Å; R208-E210 PolarHBondContact O-N 3.25Å; R208-Y211 PolarHBondContact O-N 2.63Å; R208-T212 WeakPolarHBondContact O-CB 3.46Å; R208-T212 PolarHBondContact O-N 3.48Å; R208-T212 PolarHBondContact O-OG1 3.08Å; R208-H222 HydrophobicContact CB-CB 4.41Å; R208-H222 HydrophobicContact CG-CB 4.37Å |
| 209 | E | 96 | Very high | 97.1 | Very high | 119 Ų | 119 | 26 Ų | 26 | 56% | 0.556 | 12% | 0.122 | S | C | * | . | H | α-helix | trans | -62.7 | -39.2 | -180 | -64.2 | 67.4 | -145.7 | 0 | 0 | 111.1 | S207 T212 R213 | S207-E209 PolarHBondContact O-N 2.9Å; E209-T212 PolarHBondContact O-N 3.16Å; E209-R213 WeakPolarHBondContact O-CG 3.4Å; E209-R213 PolarHBondContact O-N 2.98Å; E209-R213 VanDerWaalsContact O-N 3.11Å |
| 210 | E | 96.7 | Very high | 97.1 | Very high | 8 Ų | 8 | 26.8 Ų | 26.8 | 4% | 0.037 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65.5 | -43.3 | 176.2 | -70.5 | 162.7 | 110.4 | 0 | 0 | 112.4 | K183 D184 S207 R208 R213 R298 | K183-E210 WeakPolarHBondContact CA-OE1 3.28Å; K183-E210 WeakPolarHBondContact CG-OE1 3.16Å; D184-E210 PolarHBondContact N-OE1 3.02Å; S207-E210 WeakPolarHBondContact CA-OE2 3.39Å; S207-E210 WeakPolarHBondContact CB-OE2 3.35Å; S207-E210 PolarHBondContact N-OE2 3.41Å; S207-E210 WeakPolarHBondContact O-CB 3.49Å; S207-E210 PolarHBondContact O-N 2.63Å; S207-E210 VanDerWaalsContact OG-CD 3.31Å; S207-E210 VanDerWaalsContact OG-CG 3.28Å; S207-E210 WeakPolarHBondContact OG-CG 3.28Å; S207-E210 PolarHBondContact OG-N 3.14Å; S207-E210 PolarHBondContact OG-OE2 3.2Å; R208-E210 VanDerWaalsContact C-N 3.31Å; R208-E210 PolarHBondContact O-N 3.25Å; E210-R213 PolarHBondContact O-N 2.81Å; E210-R298 IonicContact OE1-NH1 3.42Å; E210-R298 IonicContact OE1-NH2 3.78Å; E210-R298 IonicContact OE2-CZ 3.9Å; E210-R298 IonicContact OE2-NH1 3.41Å; E210-R298 IonicContact OE2-NH2 2.74Å; E210-R298 PolarHBondContact OE2-NH2 2.88Å |
| 211 | Y | 97.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -62.3 | -45.1 | 171.4 | -79.2 | -88.3 | 0 | 0 | 0 | 111.5 | I186 F190 V203 G206 S207 R208 R213 I214 A215 F220 H222 | I186-Y211 HydrophobicContact CB-CE1 4.2Å; I186-Y211 HydrophobicContact CD1-CD1 3.63Å; I186-Y211 HydrophobicContact CD1-CD2 4.03Å; I186-Y211 HydrophobicContact CD1-CE1 3.93Å; I186-Y211 HydrophobicContact CD1-CE2 4.31Å; I186-Y211 HydrophobicContact CD1-CG 3.67Å; I186-Y211 HydrophobicContact CG1-CD1 3.96Å; I186-Y211 HydrophobicContact CG1-CD2 4.41Å; I186-Y211 HydrophobicContact CG1-CE1 3.7Å; I186-Y211 HydrophobicContact CG1-CE2 4.18Å; I186-Y211 HydrophobicContact CG1-CG 4.3Å; I186-Y211 HydrophobicContact CG2-CD1 3.9Å; I186-Y211 HydrophobicContact CG2-CE1 3.52Å; F190-Y211 HydrophobicContact CB-CE1 4.36Å; F190-Y211 HydrophobicContact CD1-CD1 4.4Å; F190-Y211 HydrophobicContact CD1-CE1 4.48Å; F190-Y211 HydrophobicContact CD2-CD1 4.09Å; F190-Y211 AromaticContact CD2-CE1 3.95Å; F190-Y211 HydrophobicContact CD2-CE1 3.95Å; F190-Y211 HydrophobicContact CE1-CD1 4.38Å; F190-Y211 HydrophobicContact CE2-CD1 4.07Å; F190-Y211 HydrophobicContact CE2-CE1 4.37Å; F190-Y211 HydrophobicContact CG-CD1 4.25Å; F190-Y211 AromaticContact CG-CE1 4Å; F190-Y211 HydrophobicContact CG-CE1 4Å; F190-Y211 HydrophobicContact CZ-CD1 4.22Å; V203-Y211 HydrophobicContact CB-CD1 4.27Å; V203-Y211 HydrophobicContact CB-CE1 3.68Å; V203-Y211 HydrophobicContact CB-CE2 4.08Å; V203-Y211 HydrophobicContact CG1-CD1 4.08Å; V203-Y211 HydrophobicContact CG1-CE1 3.6Å; V203-Y211 HydrophobicContact CG2-CD1 4.12Å; V203-Y211 HydrophobicContact CG2-CD2 4.05Å; V203-Y211 HydrophobicContact CG2-CE1 4Å; V203-Y211 HydrophobicContact CG2-CE2 3.92Å; V203-Y211 HydrophobicContact CG2-CG 4.16Å; G206-Y211 WeakPolarHBondContact O-CE2 3.49Å; S207-Y211 WeakPolarHBondContact O-CD2 3.47Å; S207-Y211 PolarHBondContact O-N 3.18Å; S207-Y211 VanDerWaalsContact O-N 3.1Å; R208-Y211 PolarHBondContact O-N 2.63Å; Y211-R213 PolarHBondContact O-N 3.02Å; Y211-I214 PolarHBondContact O-N 3.14Å; Y211-A215 WeakPolarHBondContact O-CB 3.1Å; Y211-A215 PolarHBondContact O-N 3.18Å; Y211-F220 HydrophobicContact CG-CE2 4.14Å; Y211-F220 HydrophobicContact CG-CZ 4.36Å; Y211-H222 AromaticContact CD2-CD2 3.68Å; Y211-H222 AromaticContact CD2-NE2 3.99Å |
| 212 | T | 97 | Very high | 97.1 | Very high | 39 Ų | 39 | 26.8 Ų | 26.8 | 24% | 0.239 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.8 | -28 | -177.9 | -67.3 | 0 | 0 | 0 | 0 | 113.4 | S104 R208 E209 | S104-T212 VanDerWaalsContact CB-O 3.25Å; S104-T212 WeakPolarHBondContact CB-O 3.27Å; R208-T212 WeakPolarHBondContact O-CB 3.46Å; R208-T212 PolarHBondContact O-N 3.48Å; R208-T212 PolarHBondContact O-OG1 3.08Å; E209-T212 PolarHBondContact O-N 3.16Å |
| 213 | R | 94.7 | Very high | 97 | Very high | 134 Ų | 134 | 26.8 Ų | 26.8 | 51% | 0.506 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -69.4 | -30.3 | 177.4 | -73.2 | -169.7 | -41.6 | -99.6 | -7.4 | 114.2 | D184 E209 E210 Y211 | D184-R213 IonicContact OD1-CZ 2.75Å; D184-R213 IonicContact OD1-NH2 3.69Å; D184-R213 PolarHBondContact OD1-NH2 3.17Å; E209-R213 WeakPolarHBondContact O-CG 3.4Å; E209-R213 PolarHBondContact O-N 2.98Å; E209-R213 VanDerWaalsContact O-N 3.11Å; E210-R213 PolarHBondContact O-N 2.81Å; Y211-R213 PolarHBondContact O-N 3.02Å |
| 214 | I | 95.2 | Very high | 96.9 | Very high | 26 Ų | 26 | 28.1 Ų | 28.1 | 13% | 0.133 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -118.7 | -15.8 | -169.9 | 67.9 | 179.2 | 0 | 0 | 0 | 113.8 | L84 Y95 I186 F191 Y211 | L84-I214 HydrophobicContact CD1-CG2 4.42Å; Y95-I214 WeakPolarHBondContact CB-O 2.93Å; Y95-I214 PolarHBondContact N-O 3.19Å; I186-I214 HydrophobicContact CB-CD1 3.95Å; I186-I214 HydrophobicContact CD1-CD1 3.45Å; I186-I214 VanDerWaalsContact CD1-CD1 3.45Å; I186-I214 HydrophobicContact CD1-CG1 4.03Å; I186-I214 HydrophobicContact CG1-CD1 4.23Å; I186-I214 HydrophobicContact CG2-CD1 4.2Å; F191-I214 HydrophobicContact CE1-CG1 4.49Å; F191-I214 HydrophobicContact CE2-CD1 4.3Å; F191-I214 HydrophobicContact CZ-CD1 3.6Å; F191-I214 HydrophobicContact CZ-CG1 3.92Å; Y211-I214 PolarHBondContact O-N 3.14Å |
| 215 | A | 97.7 | Very high | 96.8 | Very high | 5 Ų | 5 | 31.5 Ų | 31.5 | 4% | 0.041 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -81 | 155.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | F190 Y211 F220 | F190-A215 HydrophobicContact CE1-CB 3.77Å; F190-A215 HydrophobicContact CZ-CB 3.53Å; Y211-A215 WeakPolarHBondContact O-CB 3.1Å; Y211-A215 PolarHBondContact O-N 3.18Å; A215-F220 HydrophobicContact CB-CD1 3.77Å; A215-F220 HydrophobicContact CB-CE1 3.7Å |
| 216 | P | 98.1 | Very high | 96.9 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.006 | 15% | 0.152 | C | C | . | . | P | Polyproline II helix | trans | -56.6 | 146.1 | 163.7 | -13.4 | 23.1 | 0 | 0 | 0 | 111 | Y95 L195 H218 S219 W252 V258 | Y95-P216 HydrophobicContact CD1-CB 4.22Å; Y95-P216 HydrophobicContact CD2-CB 3.71Å; Y95-P216 HydrophobicContact CD2-CG 3.56Å; Y95-P216 HydrophobicContact CE1-CB 4.31Å; Y95-P216 HydrophobicContact CE2-CB 3.78Å; Y95-P216 HydrophobicContact CE2-CG 4.07Å; Y95-P216 HydrophobicContact CG-CB 3.9Å; Y95-P216 HydrophobicContact CG-CG 3.84Å; L195-P216 HydrophobicContact CD1-CG 4.04Å; P216-H218 PolarHBondContact O-N 3.23Å; P216-S219 WeakPolarHBondContact CD-OG 3.48Å; P216-S219 VanDerWaalsContact O-CB 3.29Å; P216-S219 WeakPolarHBondContact O-CB 3.44Å; P216-S219 PolarHBondContact O-N 3.07Å; P216-S219 PolarHBondContact O-OG 3.34Å; P216-W252 HydrophobicContact CB-CB 3.65Å; P216-W252 HydrophobicContact CB-CD2 3.54Å; P216-W252 HydrophobicContact CB-CE3 3.92Å; P216-W252 HydrophobicContact CB-CG 3.42Å; P216-W252 VanDerWaalsContact CB-CG 3.42Å; P216-W252 HydrophobicContact CG-CD2 3.68Å; P216-W252 HydrophobicContact CG-CE3 3.81Å; P216-W252 HydrophobicContact CG-CG 4.11Å; P216-W252 HydrophobicContact CG-CH2 4.44Å; P216-W252 HydrophobicContact CG-CZ2 4.32Å; P216-W252 HydrophobicContact CG-CZ3 4.2Å; P216-V258 HydrophobicContact CG-CG2 3.59Å |
| 217 | P | 97.5 | Very high | 96.9 | Very high | 10 Ų | 10 | 41.8 Ų | 41.8 | 7% | 0.065 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | 134.6 | 178.1 | -24.9 | 33.4 | 0 | 0 | 0 | 111.7 | N103 T106 Y108 S219 | N103-P217 WeakPolarHBondContact O-CG 3.43Å; T106-P217 WeakPolarHBondContact O-CB 3.28Å; Y108-P217 HydrophobicContact CE2-CB 4.35Å; Y108-P217 HydrophobicContact CE2-CG 3.98Å; P217-S219 VanDerWaalsContact C-N 3.27Å; P217-S219 PolarHBondContact O-N 2.92Å |
| 218 | H | 97.6 | Very high | 96.9 | Very high | 50 Ų | 50 | 42.2 Ų | 42.2 | 23% | 0.231 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 35.6 | 178 | -164.9 | 50.5 | 0 | 0 | 0 | 115.5 | R107 P216 E248 Y249 | R107-H218 PolarHBondContact NH1-CD2 3.11Å; R107-H218 PolarHBondContact NH1-CE1 2.96Å; R107-H218 PolarHBondContact NH1-ND1 3.23Å; R107-H218 VanDerWaalsContact NH1-ND1 3.14Å; R107-H218 PolarHBondContact NH1-NE2 3.42Å; P216-H218 PolarHBondContact O-N 3.23Å; H218-E248 IonicContact NE2-OE2 3.99Å; H218-Y249 AromaticContact CE1-CE1 3.94Å; H218-Y249 AromaticContact CE1-CZ 3.74Å; H218-Y249 WeakPolarHBondContact O-CA 3.48Å; H218-Y249 VanDerWaalsContact O-CD1 3.26Å; H218-Y249 WeakPolarHBondContact O-CD1 3.42Å |
| 219 | S | 98.5 | Very high | 96.9 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.007 | 17% | 0.174 | C | C | . | . | trans | -99.9 | -3.1 | -173.2 | 60.3 | 0 | 0 | 0 | 0 | 116 | P201 P216 P217 | P201-S219 VanDerWaalsContact CD-O 3.23Å; P201-S219 WeakPolarHBondContact CD-O 3.32Å; P216-S219 WeakPolarHBondContact CD-OG 3.48Å; P216-S219 VanDerWaalsContact O-CB 3.29Å; P216-S219 WeakPolarHBondContact O-CB 3.44Å; P216-S219 PolarHBondContact O-N 3.07Å; P216-S219 PolarHBondContact O-OG 3.34Å; P217-S219 VanDerWaalsContact C-N 3.27Å; P217-S219 PolarHBondContact O-N 2.92Å | ||
| 220 | F | 98.7 | Very high | 96.9 | Very high | 16 Ų | 16 | 36.2 Ų | 36.2 | 7% | 0.07 | 17% | 0.169 | C | C | . | . | trans | -149.2 | 162.2 | -171.1 | 70.6 | -86.4 | 0 | 0 | 0 | 113.6 | F190 P201 V203 Y211 A215 H222 | F190-F220 HydrophobicContact CE2-CB 3.65Å; F190-F220 HydrophobicContact CE2-CD1 4.32Å; F190-F220 HydrophobicContact CE2-CG 4.02Å; F190-F220 HydrophobicContact CZ-CB 4.21Å; F190-F220 HydrophobicContact CZ-CD1 4.12Å; F190-F220 HydrophobicContact CZ-CG 4.29Å; P201-F220 HydrophobicContact CB-CB 4.35Å; P201-F220 HydrophobicContact CG-CB 4.48Å; V203-F220 HydrophobicContact CG1-CD2 4.49Å; V203-F220 HydrophobicContact CG2-CD2 3.62Å; V203-F220 HydrophobicContact CG2-CE2 4.06Å; Y211-F220 HydrophobicContact CG-CE2 4.14Å; Y211-F220 HydrophobicContact CG-CZ 4.36Å; A215-F220 HydrophobicContact CB-CD1 3.77Å; A215-F220 HydrophobicContact CB-CE1 3.7Å; F220-H222 HydrophobicContact CD2-CB 4.31Å; F220-H222 HydrophobicContact CE2-CB 3.99Å | ||
| 221 | I | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 114.6 | 177.3 | -59.8 | 171.7 | 0 | 0 | 0 | 108.1 | F173 V200 P201 I202 V203 F226 L232 Y235 L236 L239 Y249 | F173-I221 HydrophobicContact CD1-CD1 4.36Å; F173-I221 HydrophobicContact CE1-CD1 4.15Å; V200-I221 HydrophobicContact CG1-CD1 3.82Å; V200-I221 HydrophobicContact CG1-CG1 3.84Å; P201-I221 PolarHBondContact O-N 3.25Å; I202-I221 CarbonylContact C-O 3.55Å; I202-I221 VanDerWaalsContact CA-O 3.28Å; I202-I221 WeakPolarHBondContact CA-O 3.14Å; I202-I221 HydrophobicContact CG1-CB 4.48Å; V203-I221 PolarHBondContact N-O 2.97Å; I221-F226 HydrophobicContact CG2-CE2 3.5Å; I221-F226 HydrophobicContact CG2-CZ 3.93Å; I221-L232 HydrophobicContact CG2-CD1 3.75Å; I221-Y235 HydrophobicContact CD1-CD1 4.33Å; I221-Y235 HydrophobicContact CD1-CE1 4Å; I221-Y235 HydrophobicContact CG1-CE1 4.35Å; I221-L236 HydrophobicContact CD1-CD2 3.62Å; I221-L239 HydrophobicContact CD1-CD1 3.62Å; I221-Y249 HydrophobicContact CD1-CE1 4.33Å; I221-Y249 HydrophobicContact CG1-CD1 4.47Å; I221-Y249 HydrophobicContact CG1-CE1 3.62Å |
| 222 | H | 98.3 | Very high | 96.9 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 133.6 | 177 | -165.3 | -72 | 0 | 0 | 0 | 110.5 | V203 G206 R208 Y211 F220 D224 Q225 | V203-H222 HydrophobicContact CG2-CB 3.87Å; V203-H222 VanDerWaalsContact CG2-CD2 3.47Å; V203-H222 WeakPolarHBondContact CG2-CD2 3.47Å; G206-H222 PolarHBondContact O-NE2 2.89Å; R208-H222 HydrophobicContact CB-CB 4.41Å; R208-H222 HydrophobicContact CG-CB 4.37Å; Y211-H222 AromaticContact CD2-CD2 3.68Å; Y211-H222 AromaticContact CD2-NE2 3.99Å; F220-H222 HydrophobicContact CD2-CB 4.31Å; F220-H222 HydrophobicContact CE2-CB 3.99Å; H222-D224 VanDerWaalsContact C-N 3.26Å; H222-D224 IonicContact CE1-OD2 3.77Å; H222-D224 PolarHBondContact CE1-OD2 2.81Å; H222-D224 WeakPolarHBondContact ND1-CB 3.11Å; H222-D224 PolarHBondContact ND1-N 3.46Å; H222-D224 PolarHBondContact O-N 3.49Å; H222-Q225 HydrophobicContact CB-CG 4.14Å; H222-Q225 WeakPolarHBondContact O-CB 3.27Å; H222-Q225 PolarHBondContact O-N 2.89Å; H222-Q225 VanDerWaalsContact O-N 3.07Å; H222-Q225 PolarHBondContact O-OE1 2.94Å |
| 223 | V | 97.6 | Very high | 97 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -53.2 | -45.9 | -178.7 | -67.9 | 0 | 0 | 0 | 0 | 111.4 | F177 I202 V203 M204 Q225 F226 L232 W302 | F177-V223 HydrophobicContact CE1-CG1 3.86Å; F177-V223 HydrophobicContact CZ-CG1 4.11Å; I202-V223 HydrophobicContact CG2-CG1 4.25Å; V203-V223 WeakPolarHBondContact O-CG1 3.47Å; V203-V223 PolarHBondContact O-N 2.98Å; M204-V223 HydrophobicContact CB-CG1 4.2Å; M204-V223 HydrophobicContact CB-CG2 3.8Å; M204-V223 HydrophobicContact CG-CG2 3.81Å; V223-Q225 PolarHBondContact O-N 3.08Å; V223-F226 WeakPolarHBondContact O-CD2 3.44Å; V223-F226 PolarHBondContact O-N 3.24Å; V223-L232 HydrophobicContact CG1-CD2 4.16Å; V223-W302 WeakPolarHBondContact O-CH2 3.27Å; V223-W302 WeakPolarHBondContact O-CZ2 3.39Å |
| 224 | D | 96.1 | Very high | 97.2 | Very high | 28 Ų | 28 | 34.1 Ų | 34.1 | 15% | 0.15 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -63.3 | 1.9 | 180 | -66.7 | -18.6 | 0 | 0 | 0 | 117.1 | H222 F226 K301 W302 | H222-D224 VanDerWaalsContact C-N 3.26Å; H222-D224 IonicContact CE1-OD2 3.77Å; H222-D224 PolarHBondContact CE1-OD2 2.81Å; H222-D224 WeakPolarHBondContact ND1-CB 3.11Å; H222-D224 PolarHBondContact ND1-N 3.46Å; H222-D224 PolarHBondContact O-N 3.49Å; D224-F226 VanDerWaalsContact C-N 3.33Å; D224-K301 HydrophobicContact CB-CB 4.4Å; D224-K301 HydrophobicContact CB-CD 3.84Å; D224-K301 HydrophobicContact CB-CG 4.01Å; D224-K301 PolarHBondContact OD1-N 3.12Å; D224-W302 HydrophobicContact CB-CZ3 4.43Å |
| 225 | Q | 95.8 | Very high | 97.4 | Very high | 74 Ų | 74 | 36 Ų | 36 | 35% | 0.346 | 17% | 0.172 | S | C | . | . | G | 310 helix | trans | -79.2 | -17.7 | 171.1 | -69.8 | 174.4 | -73.3 | 0 | 0 | 113.2 | H222 V223 | H222-Q225 HydrophobicContact CB-CG 4.14Å; H222-Q225 WeakPolarHBondContact O-CB 3.27Å; H222-Q225 PolarHBondContact O-N 2.89Å; H222-Q225 VanDerWaalsContact O-N 3.07Å; H222-Q225 PolarHBondContact O-OE1 2.94Å; V223-Q225 PolarHBondContact O-N 3.08Å |
| 226 | F | 96.6 | Very high | 97.4 | Very high | 36 Ų | 36 | 35.8 Ų | 35.8 | 16% | 0.158 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -102.1 | 174.7 | -173.9 | -60.1 | -82.4 | 0 | 0 | 0 | 111.4 | I221 V223 D224 L232 Y235 W302 | I221-F226 HydrophobicContact CG2-CE2 3.5Å; I221-F226 HydrophobicContact CG2-CZ 3.93Å; V223-F226 WeakPolarHBondContact O-CD2 3.44Å; V223-F226 PolarHBondContact O-N 3.24Å; D224-F226 VanDerWaalsContact C-N 3.33Å; F226-L232 HydrophobicContact CB-CB 4.13Å; F226-L232 HydrophobicContact CD1-CB 4.3Å; F226-L232 HydrophobicContact CD2-CB 3.87Å; F226-L232 HydrophobicContact CD2-CD1 3.61Å; F226-L232 HydrophobicContact CD2-CG 4.25Å; F226-L232 HydrophobicContact CE2-CB 4.48Å; F226-L232 HydrophobicContact CE2-CD1 3.42Å; F226-L232 VanDerWaalsContact CE2-CD1 3.42Å; F226-L232 HydrophobicContact CE2-CG 4.5Å; F226-L232 HydrophobicContact CG-CB 3.79Å; F226-L232 HydrophobicContact CG-CD1 4.29Å; F226-L232 HydrophobicContact CZ-CD1 3.93Å; F226-Y235 VanDerWaalsContact CE1-CB 3.43Å; F226-Y235 AromaticContact CE1-CD1 3.72Å; F226-Y235 HydrophobicContact CE1-CD1 3.72Å; F226-Y235 HydrophobicContact CE1-CD2 4.42Å; F226-Y235 AromaticContact CE1-CG 3.6Å; F226-Y235 HydrophobicContact CE1-CG 3.6Å; F226-Y235 AromaticContact CZ-CD1 3.37Å; F226-Y235 HydrophobicContact CZ-CD1 3.37Å; F226-Y235 HydrophobicContact CZ-CE1 4.04Å; F226-Y235 AromaticContact CZ-CG 3.8Å; F226-Y235 HydrophobicContact CZ-CG 3.8Å; F226-W302 VanDerWaalsContact C-CH2 3.47Å; F226-W302 HydrophobicContact CB-CH2 4.22Å; F226-W302 HydrophobicContact CB-CZ2 4.47Å; F226-W302 WeakPolarHBondContact O-CH2 3.46Å; F226-W302 WeakPolarHBondContact O-CZ3 3.46Å |
| 227 | K | 94.4 | Very high | 97.4 | Very high | 187 Ų | 187 | 39 Ų | 39 | 81% | 0.813 | 18% | 0.183 | S | C | * | . | S | Bend | trans | -93 | -20.3 | 173.2 | -70.1 | -178.9 | 178.5 | -179.8 | 0 | 112.2 | T231 | K227-T231 PolarHBondContact N-OG1 2.61Å; K227-T231 VanDerWaalsContact N-OG1 3.17Å |
| 228 | S | 95.4 | Very high | 97.5 | Very high | 39 Ų | 39 | 43.8 Ų | 43.8 | 27% | 0.273 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -164.4 | 164 | -177.2 | 63.3 | 0 | 0 | 0 | 0 | 110.9 | F230 T231 L232 | S228-F230 PolarHBondContact O-N 2.58Å; S228-F230 PolarHBondContact OG-N 2.91Å; S228-T231 PolarHBondContact N-OG1 2.73Å; S228-T231 PolarHBondContact O-N 3.42Å; S228-T231 VanDerWaalsContact O-N 3.15Å; S228-T231 PolarHBondContact O-OG1 3.14Å; S228-T231 PolarHBondContact OG-N 3.46Å; S228-T231 VanDerWaalsContact OG-N 3.14Å; S228-T231 PolarHBondContact OG-OG1 2.88Å; S228-L232 PolarHBondContact O-N 3.18Å |
| 229 | L | 95.8 | Very high | 97.6 | Very high | 4 Ų | 4 | 41.4 Ų | 41.4 | 2% | 0.021 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.2 | -26.1 | 171.1 | -69.6 | -179.9 | 0 | 0 | 0 | 113 | Y139 V142 L143 Y146 L232 S233 L304 | Y139-L229 HydrophobicContact CD1-CD1 4.15Å; Y139-L229 HydrophobicContact CD1-CD2 3.98Å; Y139-L229 HydrophobicContact CD1-CG 4.4Å; Y139-L229 HydrophobicContact CE1-CD2 4.45Å; Y139-L229 HydrophobicContact CG-CD1 4.4Å; Y139-L229 WeakPolarHBondContact O-CD1 3.09Å; V142-L229 HydrophobicContact CB-CD1 3.76Å; V142-L229 HydrophobicContact CG1-CB 4.46Å; V142-L229 HydrophobicContact CG1-CD1 3.77Å; L143-L229 HydrophobicContact CB-CD1 4.27Å; L143-L229 HydrophobicContact CD1-CB 4.43Å; Y146-L229 HydrophobicContact CE2-CB 4.48Å; L229-L232 HydrophobicContact CD2-CD2 3.88Å; L229-S233 WeakPolarHBondContact O-CB 3.12Å; L229-S233 PolarHBondContact O-N 3.13Å; L229-L304 HydrophobicContact CD1-CD1 4.35Å; L229-L304 HydrophobicContact CD1-CD2 3.46Å; L229-L304 VanDerWaalsContact CD1-CD2 3.46Å; L229-L304 HydrophobicContact CG-CD2 3.99Å |
| 230 | F | 96.5 | Very high | 97.6 | Very high | 102 Ų | 102 | 43.6 Ų | 43.6 | 45% | 0.447 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -64.2 | -51.6 | 171.2 | 178.4 | -102.9 | 0 | 0 | 0 | 110.7 | Y146 S228 L232 S233 Q234 | Y146-F230 AromaticContact CD1-CD2 3.62Å; Y146-F230 HydrophobicContact CD1-CD2 3.62Å; Y146-F230 HydrophobicContact CD1-CE2 4.36Å; Y146-F230 HydrophobicContact CD2-CB 4.41Å; Y146-F230 HydrophobicContact CE1-CB 4.38Å; Y146-F230 AromaticContact CE1-CD2 3.81Å; Y146-F230 HydrophobicContact CE1-CD2 3.81Å; Y146-F230 HydrophobicContact CE2-CB 4.2Å; Y146-F230 HydrophobicContact CG-CD2 4.1Å; S228-F230 PolarHBondContact O-N 2.58Å; S228-F230 PolarHBondContact OG-N 2.91Å; F230-L232 VanDerWaalsContact C-N 3.32Å; F230-L232 PolarHBondContact O-N 2.95Å; F230-S233 WeakPolarHBondContact O-CB 3.29Å; F230-S233 PolarHBondContact O-N 3.45Å; F230-S233 PolarHBondContact O-OG 2.92Å; F230-Q234 HydrophobicContact CD1-CG 4.37Å; F230-Q234 HydrophobicContact CE1-CG 4.01Å; F230-Q234 VanDerWaalsContact CE2-NE2 3.31Å; F230-Q234 HydrophobicContact CZ-CG 4.1Å; F230-Q234 VanDerWaalsContact CZ-NE2 3.26Å; F230-Q234 WeakPolarHBondContact O-CG 3.43Å; F230-Q234 PolarHBondContact O-N 3.37Å |
| 231 | T | 97.4 | Very high | 97.5 | Very high | 52 Ų | 52 | 51.3 Ų | 51.3 | 32% | 0.319 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.3 | -35.8 | 177.9 | 50.2 | 0 | 0 | 0 | 0 | 113 | K227 S228 Q234 Y235 | K227-T231 PolarHBondContact N-OG1 2.61Å; K227-T231 VanDerWaalsContact N-OG1 3.17Å; S228-T231 PolarHBondContact N-OG1 2.73Å; S228-T231 PolarHBondContact O-N 3.42Å; S228-T231 VanDerWaalsContact O-N 3.15Å; S228-T231 PolarHBondContact O-OG1 3.14Å; S228-T231 PolarHBondContact OG-N 3.46Å; S228-T231 VanDerWaalsContact OG-N 3.14Å; S228-T231 PolarHBondContact OG-OG1 2.88Å; T231-Q234 PolarHBondContact O-N 3.28Å; T231-Y235 PolarHBondContact O-N 3.22Å; T231-Y235 VanDerWaalsContact O-N 3.13Å |
| 232 | L | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.7 | -49.3 | 168.9 | 170.6 | 61.5 | 0 | 0 | 0 | 110.7 | L143 I202 I221 V223 F226 S228 L229 F230 Q234 Y235 L236 | L143-L232 HydrophobicContact CD1-CD2 4.37Å; I202-L232 HydrophobicContact CG2-CD2 4.24Å; I221-L232 HydrophobicContact CG2-CD1 3.75Å; V223-L232 HydrophobicContact CG1-CD2 4.16Å; F226-L232 HydrophobicContact CB-CB 4.13Å; F226-L232 HydrophobicContact CD1-CB 4.3Å; F226-L232 HydrophobicContact CD2-CB 3.87Å; F226-L232 HydrophobicContact CD2-CD1 3.61Å; F226-L232 HydrophobicContact CD2-CG 4.25Å; F226-L232 HydrophobicContact CE2-CB 4.48Å; F226-L232 HydrophobicContact CE2-CD1 3.42Å; F226-L232 VanDerWaalsContact CE2-CD1 3.42Å; F226-L232 HydrophobicContact CE2-CG 4.5Å; F226-L232 HydrophobicContact CG-CB 3.79Å; F226-L232 HydrophobicContact CG-CD1 4.29Å; F226-L232 HydrophobicContact CZ-CD1 3.93Å; S228-L232 PolarHBondContact O-N 3.18Å; L229-L232 HydrophobicContact CD2-CD2 3.88Å; F230-L232 VanDerWaalsContact C-N 3.32Å; F230-L232 PolarHBondContact O-N 2.95Å; L232-Q234 VanDerWaalsContact C-N 3.27Å; L232-Q234 PolarHBondContact O-N 3.11Å; L232-Y235 WeakPolarHBondContact O-CB 3.36Å; L232-Y235 PolarHBondContact O-N 2.75Å; L232-Y235 VanDerWaalsContact O-N 3.09Å; L232-L236 HydrophobicContact CD1-CD1 4.11Å; L232-L236 HydrophobicContact CD1-CD2 4.27Å; L232-L236 HydrophobicContact CD1-CG 4.02Å; L232-L236 HydrophobicContact CG-CD1 4.1Å; L232-L236 HydrophobicContact CG-CG 4.4Å; L232-L236 WeakPolarHBondContact O-CG 3.45Å; L232-L236 PolarHBondContact O-N 2.74Å |
| 233 | S | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.8 | -34.9 | -179.6 | 80.4 | 0 | 0 | 0 | 0 | 113.2 | Y146 L229 F230 L236 K237 | Y146-S233 VanDerWaalsContact CB-OG 3.28Å; Y146-S233 WeakPolarHBondContact CB-OG 3.22Å; L229-S233 WeakPolarHBondContact O-CB 3.12Å; L229-S233 PolarHBondContact O-N 3.13Å; F230-S233 WeakPolarHBondContact O-CB 3.29Å; F230-S233 PolarHBondContact O-N 3.45Å; F230-S233 PolarHBondContact O-OG 2.92Å; S233-L236 PolarHBondContact O-N 3.08Å; S233-K237 VanDerWaalsContact O-CG 3.31Å; S233-K237 WeakPolarHBondContact O-CG 3.3Å; S233-K237 PolarHBondContact O-N 2.98Å |
| 234 | Q | 98.6 | Very high | 97.5 | Very high | 84 Ų | 84 | 60.3 Ų | 60.3 | 39% | 0.393 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -67 | -41.3 | 175.3 | -64.8 | -58.3 | -26.7 | 0 | 0 | 111.2 | F230 T231 L232 K237 Y238 | F230-Q234 HydrophobicContact CD1-CG 4.37Å; F230-Q234 HydrophobicContact CE1-CG 4.01Å; F230-Q234 VanDerWaalsContact CE2-NE2 3.31Å; F230-Q234 HydrophobicContact CZ-CG 4.1Å; F230-Q234 VanDerWaalsContact CZ-NE2 3.26Å; F230-Q234 WeakPolarHBondContact O-CG 3.43Å; F230-Q234 PolarHBondContact O-N 3.37Å; T231-Q234 PolarHBondContact O-N 3.28Å; L232-Q234 VanDerWaalsContact C-N 3.27Å; L232-Q234 PolarHBondContact O-N 3.11Å; Q234-K237 PolarHBondContact O-N 3.5Å; Q234-Y238 PolarHBondContact O-N 2.97Å |
| 235 | Y | 98.8 | Very high | 97.7 | Very high | 66 Ų | 66 | 59.3 Ų | 59.3 | 26% | 0.259 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64 | -41.4 | 175.2 | -176.3 | -111.6 | 0 | 0 | 0 | 112.3 | I221 F226 T231 L232 K237 Y238 L239 Y249 | I221-Y235 HydrophobicContact CD1-CD1 4.33Å; I221-Y235 HydrophobicContact CD1-CE1 4Å; I221-Y235 HydrophobicContact CG1-CE1 4.35Å; F226-Y235 VanDerWaalsContact CE1-CB 3.43Å; F226-Y235 AromaticContact CE1-CD1 3.72Å; F226-Y235 HydrophobicContact CE1-CD1 3.72Å; F226-Y235 HydrophobicContact CE1-CD2 4.42Å; F226-Y235 AromaticContact CE1-CG 3.6Å; F226-Y235 HydrophobicContact CE1-CG 3.6Å; F226-Y235 AromaticContact CZ-CD1 3.37Å; F226-Y235 HydrophobicContact CZ-CD1 3.37Å; F226-Y235 HydrophobicContact CZ-CE1 4.04Å; F226-Y235 AromaticContact CZ-CG 3.8Å; F226-Y235 HydrophobicContact CZ-CG 3.8Å; T231-Y235 PolarHBondContact O-N 3.22Å; T231-Y235 VanDerWaalsContact O-N 3.13Å; L232-Y235 WeakPolarHBondContact O-CB 3.36Å; L232-Y235 PolarHBondContact O-N 2.75Å; L232-Y235 VanDerWaalsContact O-N 3.09Å; Y235-K237 VanDerWaalsContact C-N 3.34Å; Y235-K237 PolarHBondContact O-N 3.49Å; Y235-Y238 AromaticContact CD2-CD1 3.94Å; Y235-Y238 HydrophobicContact CD2-CD1 3.94Å; Y235-Y238 AromaticContact CE2-CD1 3.85Å; Y235-Y238 HydrophobicContact CE2-CD1 3.85Å; Y235-Y238 HydrophobicContact CE2-CE1 4.08Å; Y235-Y238 WeakPolarHBondContact O-CB 3.43Å; Y235-Y238 PolarHBondContact O-N 3.21Å; Y235-Y238 VanDerWaalsContact O-N 3.15Å; Y235-L239 HydrophobicContact CD1-CD1 4.05Å; Y235-L239 HydrophobicContact CD1-CG 4.43Å; Y235-L239 HydrophobicContact CE1-CD1 3.53Å; Y235-L239 HydrophobicContact CE1-CD2 4.5Å; Y235-L239 HydrophobicContact CE1-CG 4.05Å; Y235-L239 HydrophobicContact CE2-CD2 4.41Å; Y235-L239 HydrophobicContact CE2-CG 4.42Å; Y235-L239 WeakPolarHBondContact O-CG 3.42Å; Y235-L239 PolarHBondContact O-N 2.74Å; Y235-Y249 WeakPolarHBondContact CE1-OH 3.43Å; Y235-Y249 PolarHBondContact OH-OH 3.11Å |
| 236 | L | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.7 | -38.4 | 175.3 | -61.8 | 176.7 | 0 | 0 | 0 | 112.1 | I123 I147 F173 I202 I221 L232 S233 Y238 L239 D240 | I123-L236 HydrophobicContact CD1-CD1 3.73Å; I147-L236 HydrophobicContact CD1-CB 3.6Å; I147-L236 HydrophobicContact CD1-CD1 4.24Å; F173-L236 HydrophobicContact CD1-CD2 3.79Å; F173-L236 HydrophobicContact CD2-CD2 4.39Å; F173-L236 HydrophobicContact CE1-CD2 3.7Å; F173-L236 HydrophobicContact CE2-CB 4.22Å; F173-L236 HydrophobicContact CE2-CD2 4.29Å; F173-L236 HydrophobicContact CG-CD2 4.18Å; F173-L236 HydrophobicContact CZ-CB 4.37Å; F173-L236 HydrophobicContact CZ-CD2 3.98Å; I202-L236 HydrophobicContact CD1-CD1 3.51Å; I202-L236 HydrophobicContact CD1-CD2 3.81Å; I202-L236 HydrophobicContact CD1-CG 4.33Å; I202-L236 HydrophobicContact CG1-CD2 4.21Å; I221-L236 HydrophobicContact CD1-CD2 3.62Å; L232-L236 HydrophobicContact CD1-CD1 4.11Å; L232-L236 HydrophobicContact CD1-CD2 4.27Å; L232-L236 HydrophobicContact CD1-CG 4.02Å; L232-L236 HydrophobicContact CG-CD1 4.1Å; L232-L236 HydrophobicContact CG-CG 4.4Å; L232-L236 WeakPolarHBondContact O-CG 3.45Å; L232-L236 PolarHBondContact O-N 2.74Å; S233-L236 PolarHBondContact O-N 3.08Å; L236-Y238 VanDerWaalsContact C-N 3.33Å; L236-L239 PolarHBondContact O-N 3.01Å; L236-D240 WeakPolarHBondContact O-CB 3.26Å; L236-D240 PolarHBondContact O-N 3.29Å |
| 237 | K | 98.7 | Very high | 97.9 | Very high | 68 Ų | 68 | 54.7 Ų | 54.7 | 30% | 0.296 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -67.2 | -32 | 172.8 | -73.1 | 171.6 | -176.1 | 174.5 | 0 | 112.9 | Y146 I147 S233 Q234 Y235 K241 | Y146-K237 WeakPolarHBondContact O-CE 3.48Å; Y146-K237 PolarHBondContact O-NZ 3.05Å; I147-K237 HydrophobicContact CD1-CG 4.12Å; S233-K237 VanDerWaalsContact O-CG 3.31Å; S233-K237 WeakPolarHBondContact O-CG 3.3Å; S233-K237 PolarHBondContact O-N 2.98Å; Q234-K237 PolarHBondContact O-N 3.5Å; Y235-K237 VanDerWaalsContact C-N 3.34Å; Y235-K237 PolarHBondContact O-N 3.49Å; K237-K241 WeakPolarHBondContact O-CG 3.22Å; K237-K241 PolarHBondContact O-N 2.78Å |
| 238 | Y | 98.7 | Very high | 98 | Very high | 112 Ų | 112 | 50 Ų | 50 | 44% | 0.439 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -65.8 | -50.3 | 172.3 | 156.9 | -101.7 | 0 | 0 | 0 | 110.8 | Q234 Y235 L236 D240 K241 N242 A245 | Q234-Y238 PolarHBondContact O-N 2.97Å; Y235-Y238 AromaticContact CD2-CD1 3.94Å; Y235-Y238 HydrophobicContact CD2-CD1 3.94Å; Y235-Y238 AromaticContact CE2-CD1 3.85Å; Y235-Y238 HydrophobicContact CE2-CD1 3.85Å; Y235-Y238 HydrophobicContact CE2-CE1 4.08Å; Y235-Y238 WeakPolarHBondContact O-CB 3.43Å; Y235-Y238 PolarHBondContact O-N 3.21Å; Y235-Y238 VanDerWaalsContact O-N 3.15Å; L236-Y238 VanDerWaalsContact C-N 3.33Å; Y238-D240 VanDerWaalsContact C-N 3.25Å; Y238-D240 PolarHBondContact O-N 3.4Å; Y238-K241 PolarHBondContact O-N 3.24Å; Y238-N242 HydrophobicContact CD2-CB 4.48Å; Y238-N242 HydrophobicContact CE2-CB 4.08Å; Y238-N242 WeakPolarHBondContact O-CB 3.37Å; Y238-N242 PolarHBondContact O-N 3.25Å; Y238-N242 PolarHBondContact OH-ND2 3.41Å; Y238-A245 HydrophobicContact CE1-CB 3.79Å; Y238-A245 WeakPolarHBondContact OH-CB 3.02Å |
| 239 | L | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61 | -35.8 | 176.3 | -68 | -178.4 | 0 | 0 | 0 | 112 | F173 I221 Y235 L236 K241 N242 A245 Y249 | F173-L239 HydrophobicContact CE1-CB 4.34Å; F173-L239 HydrophobicContact CE1-CD1 3.92Å; F173-L239 HydrophobicContact CZ-CB 3.84Å; F173-L239 HydrophobicContact CZ-CD1 4.22Å; I221-L239 HydrophobicContact CD1-CD1 3.62Å; Y235-L239 HydrophobicContact CD1-CD1 4.05Å; Y235-L239 HydrophobicContact CD1-CG 4.43Å; Y235-L239 HydrophobicContact CE1-CD1 3.53Å; Y235-L239 HydrophobicContact CE1-CD2 4.5Å; Y235-L239 HydrophobicContact CE1-CG 4.05Å; Y235-L239 HydrophobicContact CE2-CD2 4.41Å; Y235-L239 HydrophobicContact CE2-CG 4.42Å; Y235-L239 WeakPolarHBondContact O-CG 3.42Å; Y235-L239 PolarHBondContact O-N 2.74Å; L236-L239 PolarHBondContact O-N 3.01Å; L239-K241 PolarHBondContact O-N 2.9Å; L239-N242 CarbonylContact O-C 3.56Å; L239-N242 PolarHBondContact O-N 3.01Å; L239-A245 HydrophobicContact CD2-CB 3.82Å; L239-Y249 HydrophobicContact CD1-CD2 4.39Å; L239-Y249 HydrophobicContact CD1-CE2 3.73Å; L239-Y249 HydrophobicContact CD2-CE2 3.98Å |
| 240 | D | 98.5 | Very high | 98.3 | Very high | 47 Ų | 47 | 48.4 Ų | 48.4 | 25% | 0.251 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -60.9 | -33.8 | 174.2 | 178.8 | 51.4 | 0 | 0 | 0 | 113.1 | L122 K172 L236 Y238 | L122-D240 HydrophobicContact CD2-CB 3.71Å; L122-D240 WeakPolarHBondContact CD2-OD1 3.46Å; K172-D240 HydrophobicContact CD-CB 4.46Å; K172-D240 WeakPolarHBondContact CD-OD1 3.36Å; K172-D240 WeakPolarHBondContact CE-OD1 3.09Å; K172-D240 PolarHBondContact NZ-O 2.57Å; K172-D240 IonicContact NZ-OD1 3.7Å; K172-D240 PolarHBondContact NZ-OD1 2.89Å; L236-D240 WeakPolarHBondContact O-CB 3.26Å; L236-D240 PolarHBondContact O-N 3.29Å; Y238-D240 VanDerWaalsContact C-N 3.25Å; Y238-D240 PolarHBondContact O-N 3.4Å |
| 241 | K | 98.3 | Very high | 98.3 | Very high | 178 Ų | 178 | 43.8 Ų | 43.8 | 77% | 0.774 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -93.9 | -5.6 | -178.7 | -66.9 | 176.1 | -179.9 | -175.7 | 0 | 113.8 | K237 Y238 L239 | K237-K241 WeakPolarHBondContact O-CG 3.22Å; K237-K241 PolarHBondContact O-N 2.78Å; Y238-K241 PolarHBondContact O-N 3.24Å; L239-K241 PolarHBondContact O-N 2.9Å |
| 242 | N | 98.5 | Very high | 98.4 | Very high | 52 Ų | 52 | 41.8 Ų | 41.8 | 28% | 0.278 | 20% | 0.197 | S | C | . | . | trans | -131.2 | 88.9 | -175.7 | -172.6 | -28.3 | 0 | 0 | 0 | 109.7 | Y238 L239 T244 A245 Y246 | Y238-N242 HydrophobicContact CD2-CB 4.48Å; Y238-N242 HydrophobicContact CE2-CB 4.08Å; Y238-N242 WeakPolarHBondContact O-CB 3.37Å; Y238-N242 PolarHBondContact O-N 3.25Å; Y238-N242 PolarHBondContact OH-ND2 3.41Å; L239-N242 CarbonylContact O-C 3.56Å; L239-N242 PolarHBondContact O-N 3.01Å; N242-T244 PolarHBondContact O-N 3.04Å; N242-T244 WeakPolarHBondContact OD1-CB 3.34Å; N242-T244 PolarHBondContact OD1-N 3.12Å; N242-A245 HydrophobicContact CB-CB 4.09Å; N242-A245 PolarHBondContact O-N 3.33Å; N242-A245 PolarHBondContact OD1-N 3.17Å; N242-Y246 PolarHBondContact O-N 2.53Å | ||
| 243 | D | 98.1 | Very high | 98.3 | Very high | 59 Ų | 59 | 43.7 Ų | 43.7 | 32% | 0.316 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -55.6 | -39 | 179.6 | -76.4 | 12.5 | 0 | 0 | 0 | 112 | N114 A116 Y246 D247 | N114-D243 PolarHBondContact ND2-OD2 3.19Å; A116-D243 HydrophobicContact CB-CB 4.19Å; A116-D243 WeakPolarHBondContact CB-OD1 3.23Å; D243-Y246 PolarHBondContact O-N 3.41Å; D243-D247 VanDerWaalsContact O-CB 3.29Å; D243-D247 WeakPolarHBondContact O-CB 3.45Å; D243-D247 PolarHBondContact O-N 2.85Å |
| 244 | T | 98.2 | Very high | 98.1 | Very high | 79 Ų | 79 | 47.9 Ų | 47.9 | 49% | 0.485 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -59.6 | -50.5 | 177.3 | -56.6 | 0 | 0 | 0 | 0 | 111.5 | L110 N242 Y246 D247 E248 | L110-T244 HydrophobicContact CD1-CG2 3.64Å; L110-T244 HydrophobicContact CD2-CG2 4.25Å; L110-T244 WeakPolarHBondContact CD2-O 3.45Å; N242-T244 PolarHBondContact O-N 3.04Å; N242-T244 WeakPolarHBondContact OD1-CB 3.34Å; N242-T244 PolarHBondContact OD1-N 3.12Å; T244-Y246 VanDerWaalsContact C-N 3.31Å; T244-Y246 PolarHBondContact O-N 2.8Å; T244-D247 PolarHBondContact O-N 3.31Å; T244-E248 WeakPolarHBondContact O-CG 3.45Å; T244-E248 PolarHBondContact O-N 3.5Å |
| 245 | A | 98.4 | Very high | 98 | Very high | 6 Ų | 6 | 46.5 Ų | 46.5 | 5% | 0.05 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.3 | -32 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y238 L239 N242 | Y238-A245 HydrophobicContact CE1-CB 3.79Å; Y238-A245 WeakPolarHBondContact OH-CB 3.02Å; L239-A245 HydrophobicContact CD2-CB 3.82Å; N242-A245 HydrophobicContact CB-CB 4.09Å; N242-A245 PolarHBondContact O-N 3.33Å; N242-A245 PolarHBondContact OD1-N 3.17Å |
| 246 | Y | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -68 | -44 | 173 | 176.4 | -92.9 | 0 | 0 | 0 | 111.8 | A116 K172 F173 V200 N242 D243 T244 E248 Y249 F250 | A116-Y246 HydrophobicContact CB-CD1 3.63Å; A116-Y246 HydrophobicContact CB-CE1 3.98Å; A116-Y246 HydrophobicContact CB-CG 4.36Å; K172-Y246 WeakPolarHBondContact CA-OH 3.15Å; K172-Y246 HydrophobicContact CB-CD2 4.47Å; K172-Y246 HydrophobicContact CB-CE2 3.62Å; K172-Y246 HydrophobicContact CD-CE2 4.34Å; K172-Y246 HydrophobicContact CG-CE2 4.07Å; K172-Y246 PolarHBondContact O-OH 2.72Å; F173-Y246 HydrophobicContact CE1-CD2 4.13Å; F173-Y246 HydrophobicContact CE1-CE2 4.03Å; F173-Y246 HydrophobicContact CZ-CD2 4.15Å; F173-Y246 HydrophobicContact CZ-CE2 4.23Å; V200-Y246 HydrophobicContact CG2-CD2 4.17Å; V200-Y246 HydrophobicContact CG2-CE2 3.62Å; N242-Y246 PolarHBondContact O-N 2.53Å; D243-Y246 PolarHBondContact O-N 3.41Å; T244-Y246 VanDerWaalsContact C-N 3.31Å; T244-Y246 PolarHBondContact O-N 2.8Å; Y246-E248 PolarHBondContact O-N 3.36Å; Y246-Y249 WeakPolarHBondContact O-CB 3.24Å; Y246-Y249 PolarHBondContact O-N 3.05Å; Y246-Y249 VanDerWaalsContact O-N 3.13Å; Y246-F250 HydrophobicContact CD1-CD2 4.33Å; Y246-F250 AromaticContact CD1-CE2 3.89Å; Y246-F250 HydrophobicContact CD1-CE2 3.89Å; Y246-F250 HydrophobicContact CE1-CD2 4Å; Y246-F250 AromaticContact CE1-CE2 3.28Å; Y246-F250 HydrophobicContact CE1-CE2 3.28Å; Y246-F250 AromaticContact CE1-CZ 3.96Å; Y246-F250 HydrophobicContact CE1-CZ 3.96Å; Y246-F250 HydrophobicContact CE2-CE2 4Å; Y246-F250 HydrophobicContact CE2-CZ 4.48Å; Y246-F250 HydrophobicContact CG-CE2 4.49Å; Y246-F250 AromaticContact CZ-CE2 3.34Å; Y246-F250 AromaticContact CZ-CZ 3.7Å; Y246-F250 WeakPolarHBondContact O-CD2 3.34Å; Y246-F250 WeakPolarHBondContact OH-CE2 3.16Å; Y246-F250 VanDerWaalsContact OH-CZ 3.3Å; Y246-F250 WeakPolarHBondContact OH-CZ 3.15Å |
| 247 | D | 98.2 | Very high | 97.9 | Very high | 14 Ų | 14 | 46.8 Ų | 46.8 | 8% | 0.075 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68.2 | -21.1 | -177.8 | -73.3 | -23.1 | 0 | 0 | 0 | 113.1 | L110 P111 N114 Y115 A116 D243 T244 Y249 F250 A251 | L110-D247 HydrophobicContact CD2-CB 4.4Å; P111-D247 WeakPolarHBondContact CD-O 3.49Å; P111-D247 HydrophobicContact CG-CB 4.17Å; N114-D247 VanDerWaalsContact CA-OD2 3.28Å; N114-D247 WeakPolarHBondContact CA-OD2 3.29Å; Y115-D247 WeakPolarHBondContact CA-OD1 2.92Å; Y115-D247 WeakPolarHBondContact CB-OD1 3.22Å; Y115-D247 PolarHBondContact N-OD1 2.64Å; A116-D247 PolarHBondContact N-OD1 2.67Å; D243-D247 VanDerWaalsContact O-CB 3.29Å; D243-D247 WeakPolarHBondContact O-CB 3.45Å; D243-D247 PolarHBondContact O-N 2.85Å; T244-D247 PolarHBondContact O-N 3.31Å; D247-Y249 PolarHBondContact O-N 2.95Å; D247-F250 PolarHBondContact O-N 3.44Å; D247-A251 PolarHBondContact O-N 2.82Å |
| 248 | E | 97.9 | Very high | 97.8 | Very high | 87 Ų | 87 | 44.3 Ų | 44.3 | 41% | 0.407 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -54.6 | -33.4 | 169.7 | -69.6 | -178.2 | 177.1 | 0 | 0 | 112.3 | L110 H218 T244 Y246 F250 A251 | L110-E248 HydrophobicContact CD2-CB 4.42Å; L110-E248 HydrophobicContact CD2-CG 3.57Å; H218-E248 IonicContact NE2-OE2 3.99Å; T244-E248 WeakPolarHBondContact O-CG 3.45Å; T244-E248 PolarHBondContact O-N 3.5Å; Y246-E248 PolarHBondContact O-N 3.36Å; E248-F250 PolarHBondContact O-N 3Å; E248-A251 WeakPolarHBondContact O-CB 3.16Å; E248-A251 PolarHBondContact O-N 2.83Å |
| 249 | Y | 98.4 | Very high | 97.7 | Very high | 7 Ų | 7 | 42.9 Ų | 42.9 | 3% | 0.027 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -70.4 | -11.5 | 177.6 | -73 | -91 | 0 | 0 | 0 | 114 | V200 H218 I221 Y235 L239 Y246 D247 W252 | V200-Y249 HydrophobicContact CG1-CD1 3.64Å; V200-Y249 HydrophobicContact CG1-CE1 4.13Å; V200-Y249 HydrophobicContact CG1-CG 3.94Å; V200-Y249 HydrophobicContact CG2-CD1 4.49Å; V200-Y249 HydrophobicContact CG2-CG 3.97Å; H218-Y249 AromaticContact CE1-CE1 3.94Å; H218-Y249 AromaticContact CE1-CZ 3.74Å; H218-Y249 WeakPolarHBondContact O-CA 3.48Å; H218-Y249 VanDerWaalsContact O-CD1 3.26Å; H218-Y249 WeakPolarHBondContact O-CD1 3.42Å; I221-Y249 HydrophobicContact CD1-CE1 4.33Å; I221-Y249 HydrophobicContact CG1-CD1 4.47Å; I221-Y249 HydrophobicContact CG1-CE1 3.62Å; Y235-Y249 WeakPolarHBondContact CE1-OH 3.43Å; Y235-Y249 PolarHBondContact OH-OH 3.11Å; L239-Y249 HydrophobicContact CD1-CD2 4.39Å; L239-Y249 HydrophobicContact CD1-CE2 3.73Å; L239-Y249 HydrophobicContact CD2-CE2 3.98Å; Y246-Y249 WeakPolarHBondContact O-CB 3.24Å; Y246-Y249 PolarHBondContact O-N 3.05Å; Y246-Y249 VanDerWaalsContact O-N 3.13Å; D247-Y249 PolarHBondContact O-N 2.95Å; Y249-W252 PolarHBondContact O-NE1 2.76Å |
| 250 | F | 98.2 | Very high | 97.5 | Very high | 4 Ų | 4 | 43.8 Ų | 43.8 | 2% | 0.018 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -110.6 | -2.2 | -178.4 | -62.3 | -90.7 | 0 | 0 | 0 | 112.8 | P111 Y115 N198 V200 Y246 D247 E248 W252 H253 | P111-F250 HydrophobicContact CG-CB 4.43Å; Y115-F250 HydrophobicContact CD1-CB 4.09Å; Y115-F250 AromaticContact CD1-CD1 3.34Å; Y115-F250 HydrophobicContact CD1-CD1 3.34Å; Y115-F250 AromaticContact CD1-CE1 3.95Å; Y115-F250 HydrophobicContact CD1-CE1 3.95Å; Y115-F250 AromaticContact CD1-CG 3.72Å; Y115-F250 HydrophobicContact CD1-CG 3.72Å; Y115-F250 HydrophobicContact CD2-CB 3.44Å; Y115-F250 VanDerWaalsContact CD2-CB 3.44Å; Y115-F250 HydrophobicContact CD2-CD1 4.27Å; Y115-F250 HydrophobicContact CD2-CD2 4.42Å; Y115-F250 AromaticContact CD2-CG 3.79Å; Y115-F250 HydrophobicContact CD2-CG 3.79Å; Y115-F250 HydrophobicContact CE1-CB 4.18Å; Y115-F250 AromaticContact CE1-CD1 3.69Å; Y115-F250 HydrophobicContact CE1-CD1 3.69Å; Y115-F250 HydrophobicContact CE1-CG 4.17Å; Y115-F250 HydrophobicContact CE2-CB 3.58Å; Y115-F250 HydrophobicContact CE2-CG 4.27Å; Y115-F250 HydrophobicContact CG-CB 3.72Å; Y115-F250 AromaticContact CG-CD1 3.66Å; Y115-F250 HydrophobicContact CG-CD1 3.66Å; Y115-F250 HydrophobicContact CG-CD2 4.02Å; Y115-F250 HydrophobicContact CG-CE1 4.38Å; Y115-F250 AromaticContact CG-CG 3.5Å; Y115-F250 HydrophobicContact CG-CG 3.5Å; Y115-F250 VanDerWaalsContact CG-CG 3.5Å; N198-F250 VanDerWaalsContact C-CE1 3.46Å; N198-F250 HydrophobicContact CB-CE1 4.44Å; V200-F250 HydrophobicContact CG2-CD2 4.42Å; V200-F250 HydrophobicContact CG2-CE2 3.36Å; V200-F250 HydrophobicContact CG2-CZ 3.49Å; V200-F250 VanDerWaalsContact CG2-CZ 3.49Å; Y246-F250 HydrophobicContact CD1-CD2 4.33Å; Y246-F250 AromaticContact CD1-CE2 3.89Å; Y246-F250 HydrophobicContact CD1-CE2 3.89Å; Y246-F250 HydrophobicContact CE1-CD2 4Å; Y246-F250 AromaticContact CE1-CE2 3.28Å; Y246-F250 HydrophobicContact CE1-CE2 3.28Å; Y246-F250 AromaticContact CE1-CZ 3.96Å; Y246-F250 HydrophobicContact CE1-CZ 3.96Å; Y246-F250 HydrophobicContact CE2-CE2 4Å; Y246-F250 HydrophobicContact CE2-CZ 4.48Å; Y246-F250 HydrophobicContact CG-CE2 4.49Å; Y246-F250 AromaticContact CZ-CE2 3.34Å; Y246-F250 AromaticContact CZ-CZ 3.7Å; Y246-F250 WeakPolarHBondContact O-CD2 3.34Å; Y246-F250 WeakPolarHBondContact OH-CE2 3.16Å; Y246-F250 VanDerWaalsContact OH-CZ 3.3Å; Y246-F250 WeakPolarHBondContact OH-CZ 3.15Å; D247-F250 PolarHBondContact O-N 3.44Å; E248-F250 PolarHBondContact O-N 3Å; F250-W252 PolarHBondContact O-N 2.96Å; F250-H253 AromaticContact CD1-CE1 3.36Å; F250-H253 WeakPolarHBondContact CD1-CE1 3.42Å; F250-H253 PolarHBondContact O-N 2.83Å; F250-H253 VanDerWaalsContact O-N 3.11Å; F250-H253 PolarHBondContact O-ND1 2.83Å |
| 251 | A | 97.5 | Very high | 97.1 | Very high | 5 Ų | 5 | 46.2 Ų | 46.2 | 4% | 0.041 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -55.2 | -28.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | K109 D247 E248 H253 H255 | K109-A251 WeakPolarHBondContact O-CB 3.47Å; D247-A251 PolarHBondContact O-N 2.82Å; E248-A251 WeakPolarHBondContact O-CB 3.16Å; E248-A251 PolarHBondContact O-N 2.83Å; A251-H253 VanDerWaalsContact C-N 3.28Å; A251-H253 PolarHBondContact O-N 2.84Å; A251-H255 PolarHBondContact O-CD2 2.86Å; A251-H255 VanDerWaalsContact O-CD2 3.27Å |
| 252 | W | 97.7 | Very high | 96.6 | Very high | 10 Ų | 10 | 44 Ų | 44 | 4% | 0.038 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -64.9 | -20.7 | 179.7 | 64.8 | -94.5 | 0 | 0 | 0 | 115.4 | Y95 Y108 L195 P216 Y249 F250 V254 H255 G256 V258 | Y95-W252 HydrophobicContact CD2-CE3 4.5Å; Y95-W252 HydrophobicContact CE2-CE3 4.06Å; Y108-W252 HydrophobicContact CD2-CB 3.97Å; Y108-W252 HydrophobicContact CE2-CB 3.96Å; L195-W252 HydrophobicContact CB-CH2 4.29Å; L195-W252 HydrophobicContact CB-CZ2 4.05Å; L195-W252 HydrophobicContact CD2-CZ2 3.98Å; P216-W252 HydrophobicContact CB-CB 3.65Å; P216-W252 HydrophobicContact CB-CD2 3.54Å; P216-W252 HydrophobicContact CB-CE3 3.92Å; P216-W252 HydrophobicContact CB-CG 3.42Å; P216-W252 VanDerWaalsContact CB-CG 3.42Å; P216-W252 HydrophobicContact CG-CD2 3.68Å; P216-W252 HydrophobicContact CG-CE3 3.81Å; P216-W252 HydrophobicContact CG-CG 4.11Å; P216-W252 HydrophobicContact CG-CH2 4.44Å; P216-W252 HydrophobicContact CG-CZ2 4.32Å; P216-W252 HydrophobicContact CG-CZ3 4.2Å; Y249-W252 PolarHBondContact O-NE1 2.76Å; F250-W252 PolarHBondContact O-N 2.96Å; W252-V254 PolarHBondContact O-N 3.04Å; W252-V254 VanDerWaalsContact O-N 3.15Å; W252-H255 PolarHBondContact O-N 3.39Å; W252-G256 PolarHBondContact O-N 3Å; W252-V258 HydrophobicContact CE3-CG2 4.45Å; W252-V258 HydrophobicContact CH2-CG2 3.8Å; W252-V258 HydrophobicContact CZ3-CG2 3.69Å |
| 253 | H | 96.9 | Very high | 96.1 | Very high | 39 Ų | 39 | 43.6 Ų | 43.6 | 18% | 0.181 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -59.1 | -31.3 | -171.4 | -77.5 | 73 | 0 | 0 | 0 | 114.1 | Y115 N198 F250 A251 | Y115-H253 AromaticContact CZ-CG 3.95Å; Y115-H253 WeakPolarHBondContact OH-CB 3.16Å; Y115-H253 PolarHBondContact OH-CD2 3.02Å; N198-H253 PolarHBondContact OD1-NE2 2.85Å; F250-H253 AromaticContact CD1-CE1 3.36Å; F250-H253 WeakPolarHBondContact CD1-CE1 3.42Å; F250-H253 PolarHBondContact O-N 2.83Å; F250-H253 VanDerWaalsContact O-N 3.11Å; F250-H253 PolarHBondContact O-ND1 2.83Å; A251-H253 VanDerWaalsContact C-N 3.28Å; A251-H253 PolarHBondContact O-N 2.84Å |
| 254 | V | 94.7 | Very high | 95.8 | Very high | 88 Ų | 88 | 46 Ų | 46 | 53% | 0.533 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | -89.6 | -11.2 | 179.4 | -61.2 | 0 | 0 | 0 | 0 | 112.6 | K98 W252 | K98-V254 PolarHBondContact NZ-O 2.91Å; W252-V254 PolarHBondContact O-N 3.04Å; W252-V254 VanDerWaalsContact O-N 3.15Å |
| 255 | H | 96.4 | Very high | 95.6 | Very high | 55 Ų | 55 | 42.5 Ų | 42.5 | 26% | 0.255 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109 | -4 | -170.4 | -65.1 | -64.5 | 0 | 0 | 0 | 114.8 | Y95 K98 Y108 A251 W252 | Y95-H255 PolarHBondContact OH-O 3.26Å; K98-H255 WeakPolarHBondContact CB-O 3.47Å; K98-H255 PolarHBondContact N-O 2.79Å; Y108-H255 HydrophobicContact CD1-CB 4Å; Y108-H255 AromaticContact CD1-CD2 3.28Å; Y108-H255 WeakPolarHBondContact CD1-CD2 2.97Å; Y108-H255 AromaticContact CD1-CG 3.55Å; Y108-H255 AromaticContact CD1-NE2 3.72Å; Y108-H255 HydrophobicContact CD2-CB 4.19Å; Y108-H255 AromaticContact CD2-CD2 3.81Å; Y108-H255 HydrophobicContact CE1-CB 3.65Å; Y108-H255 AromaticContact CE1-CD2 3.87Å; Y108-H255 AromaticContact CE1-CG 3.65Å; Y108-H255 HydrophobicContact CE2-CB 3.79Å; Y108-H255 HydrophobicContact CG-CB 4.26Å; Y108-H255 AromaticContact CG-CD2 3.24Å; Y108-H255 AromaticContact CG-CG 3.88Å; Y108-H255 AromaticContact CG-NE2 3.88Å; Y108-H255 VanDerWaalsContact CZ-CB 3.5Å; A251-H255 PolarHBondContact O-CD2 2.86Å; A251-H255 VanDerWaalsContact O-CD2 3.27Å; W252-H255 PolarHBondContact O-N 3.39Å |
| 256 | G | 96.9 | Very high | 95.4 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -179.8 | 176.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y95 I96 W252 | Y95-G256 VanDerWaalsContact CE2-C 3.49Å; Y95-G256 VanDerWaalsContact CE2-CA 3.48Å; Y95-G256 PolarHBondContact OH-N 2.8Å; I96-G256 CarbonylContact O-C 3.52Å; I96-G256 WeakPolarHBondContact O-CA 3.31Å; W252-G256 PolarHBondContact O-N 3Å |
| 257 | D | 97.5 | Very high | 95.2 | Very high | 72 Ų | 72 | 42.9 Ų | 42.9 | 39% | 0.385 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 141.2 | -172.8 | -65.5 | -74.5 | 0 | 0 | 0 | 110.3 | Y95 I96 Y259 | Y95-D257 WeakPolarHBondContact CA-O 3.33Å; Y95-D257 WeakPolarHBondContact CD2-O 3.35Å; I96-D257 PolarHBondContact N-O 2.87Å; I96-D257 PolarHBondContact O-N 3.3Å; D257-Y259 HydrophobicContact CB-CE2 3.74Å |
| 258 | V | 98 | Very high | 95.1 | Very high | 15 Ų | 15 | 45.2 Ų | 45.2 | 9% | 0.091 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 126.2 | 173.1 | 170.8 | 0 | 0 | 0 | 0 | 108.3 | Y94 Y95 F191 L195 L196 P216 W252 V260 | Y94-V258 WeakPolarHBondContact O-CA 3.42Å; Y95-V258 HydrophobicContact CD2-CG2 4.1Å; F191-V258 HydrophobicContact CB-CG1 4.14Å; F191-V258 HydrophobicContact CD1-CG1 3.89Å; F191-V258 HydrophobicContact CG-CG1 4.5Å; L195-V258 HydrophobicContact CD1-CG2 4.07Å; L196-V258 HydrophobicContact CD2-CB 3.93Å; L196-V258 HydrophobicContact CD2-CG1 4.12Å; L196-V258 HydrophobicContact CG-CG1 4.3Å; P216-V258 HydrophobicContact CG-CG2 3.59Å; W252-V258 HydrophobicContact CE3-CG2 4.45Å; W252-V258 HydrophobicContact CH2-CG2 3.8Å; W252-V258 HydrophobicContact CZ3-CG2 3.69Å; V258-V260 HydrophobicContact CG1-CG2 4.15Å |
| 259 | Y | 96.2 | Very high | 95 | Very high | 82 Ų | 82 | 41.5 Ų | 41.5 | 32% | 0.322 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 138.2 | 176.3 | -62.1 | -86.4 | 0 | 0 | 0 | 109.1 | G93 Y94 I96 D257 K262 | G93-Y259 CarbonylContact C-O 3.22Å; G93-Y259 WeakPolarHBondContact CA-O 3.47Å; Y94-Y259 HydrophobicContact CD2-CD2 4.01Å; Y94-Y259 HydrophobicContact CD2-CG 4.48Å; Y94-Y259 AromaticContact CE2-CD2 3.44Å; Y94-Y259 HydrophobicContact CE2-CD2 3.44Å; Y94-Y259 VanDerWaalsContact CE2-CD2 3.44Å; Y94-Y259 HydrophobicContact CE2-CE2 4.35Å; Y94-Y259 AromaticContact CE2-CG 3.73Å; Y94-Y259 HydrophobicContact CE2-CG 3.73Å; Y94-Y259 AromaticContact CZ-CG 3.95Å; Y94-Y259 PolarHBondContact N-O 3.34Å; Y94-Y259 PolarHBondContact O-N 3.24Å; I96-Y259 HydrophobicContact CB-CE2 4.01Å; I96-Y259 HydrophobicContact CD1-CD2 4.17Å; I96-Y259 HydrophobicContact CD1-CE2 3.87Å; I96-Y259 HydrophobicContact CG1-CD2 4.11Å; I96-Y259 HydrophobicContact CG1-CE2 3.94Å; D257-Y259 HydrophobicContact CB-CE2 3.74Å; Y259-K262 HydrophobicContact CD1-CG 4.04Å; Y259-K262 HydrophobicContact CG-CG 4.45Å |
| 260 | V | 95.1 | Very high | 94.9 | Very high | 19 Ų | 19 | 41.2 Ų | 41.2 | 12% | 0.115 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 132.1 | 178.6 | -163.6 | 0 | 0 | 0 | 0 | 107.8 | Y92 F191 Q192 L196 V258 K262 | Y92-V260 WeakPolarHBondContact O-CA 3.37Å; Y92-V260 WeakPolarHBondContact O-CG1 3.17Å; F191-V260 HydrophobicContact CB-CG1 4.31Å; F191-V260 HydrophobicContact CB-CG2 3.55Å; Q192-V260 HydrophobicContact CB-CG1 4.24Å; Q192-V260 HydrophobicContact CB-CG2 4.48Å; L196-V260 HydrophobicContact CD1-CG2 3.59Å; L196-V260 HydrophobicContact CG-CG2 4.34Å; V258-V260 HydrophobicContact CG1-CG2 4.15Å; V260-K262 VanDerWaalsContact C-N 3.28Å; V260-K262 PolarHBondContact O-N 3.21Å |
| 261 | W | 88.7 | Confident | 94.8 | Very high | 99 Ų | 99 | 45 Ų | 45 | 38% | 0.375 | 22% | 0.218 | S | C | . | . | S | Bend | trans | 55.5 | 38.6 | 180 | -53.5 | 108.9 | 0 | 0 | 0 | 114.1 | T8 Y60 Y92 E188 | T8-W261 HydrophobicContact CG2-CZ3 4.48Å; Y60-W261 AromaticContact CD1-CH2 3.73Å; Y60-W261 HydrophobicContact CD1-CH2 3.73Å; Y60-W261 AromaticContact CD1-CZ3 3.76Å; Y60-W261 HydrophobicContact CD1-CZ3 3.76Å; Y60-W261 HydrophobicContact CE1-CE3 4.01Å; Y60-W261 AromaticContact CE1-CH2 3.04Å; Y60-W261 HydrophobicContact CE1-CH2 3.04Å; Y60-W261 HydrophobicContact CE1-CZ2 4.1Å; Y60-W261 AromaticContact CE1-CZ3 2.96Å; Y60-W261 HydrophobicContact CE1-CZ3 2.96Å; Y60-W261 HydrophobicContact CE2-CZ3 4.28Å; Y60-W261 AromaticContact CZ-CE3 3.92Å; Y60-W261 AromaticContact CZ-CH2 3.81Å; Y60-W261 AromaticContact CZ-CZ3 3.26Å; Y60-W261 VanDerWaalsContact OH-CZ3 3.27Å; Y60-W261 WeakPolarHBondContact OH-CZ3 3.46Å; Y92-W261 AromaticContact CD1-CH2 3.67Å; Y92-W261 HydrophobicContact CD1-CH2 3.67Å; Y92-W261 AromaticContact CD1-CZ2 3.39Å; Y92-W261 HydrophobicContact CD1-CZ2 3.39Å; Y92-W261 HydrophobicContact CD1-CZ3 4.5Å; Y92-W261 AromaticContact CE1-CH2 3.63Å; Y92-W261 HydrophobicContact CE1-CH2 3.63Å; Y92-W261 AromaticContact CE1-CZ2 3.66Å; Y92-W261 HydrophobicContact CE1-CZ2 3.66Å; Y92-W261 HydrophobicContact CG-CZ2 4.42Å; Y92-W261 PolarHBondContact O-N 2.86Å; E188-W261 HydrophobicContact CB-CZ2 4.49Å |
| 262 | K | 88.9 | Confident | 94.7 | Very high | 130 Ų | 130 | 45.5 Ų | 45.5 | 57% | 0.565 | 22% | 0.22 | S | C | * | . | trans | -101.6 | 0.1 | -177.6 | -69.3 | -60.9 | -172.5 | 179.6 | 0 | 115.2 | Y94 Y259 V260 R264 | Y94-K262 HydrophobicContact CE1-CB 4.46Å; Y259-K262 HydrophobicContact CD1-CG 4.04Å; Y259-K262 HydrophobicContact CG-CG 4.45Å; V260-K262 VanDerWaalsContact C-N 3.28Å; V260-K262 PolarHBondContact O-N 3.21Å; K262-R264 PolarHBondContact O-N 3.33Å | ||
| 263 | S | 87.5 | Confident | 94.6 | Very high | 45 Ų | 45 | 46 Ų | 46 | 32% | 0.315 | 23% | 0.227 | S | C | . | . | trans | -63.1 | 130.4 | 176 | -56.5 | 0 | 0 | 0 | 0 | 111.2 | L265 | S263-L265 VanDerWaalsContact C-N 3.34Å; S263-L265 PolarHBondContact O-N 3.36Å | ||
| 264 | R | 91.9 | Very high | 94.4 | Very high | 108 Ų | 108 | 47.7 Ų | 47.7 | 41% | 0.408 | 23% | 0.234 | S | C | . | . | trans | -92.6 | 68.8 | 173.3 | -66.5 | -69.7 | -55.3 | -85.7 | -2.9 | 109.3 | E15 K262 E266 C267 D268 | E15-R264 PolarHBondContact O-NH2 3.39Å; K262-R264 PolarHBondContact O-N 3.33Å; R264-E266 IonicContact CZ-OE1 2.64Å; R264-E266 IonicContact NE-OE1 2.82Å; R264-E266 PolarHBondContact NE-OE1 2.84Å; R264-E266 IonicContact NH2-OE1 2.67Å; R264-E266 PolarHBondContact NH2-OE1 3.29Å; R264-E266 PolarHBondContact O-N 3.19Å; R264-E266 VanDerWaalsContact O-N 3.16Å; R264-C267 HydrophobicContact CB-CB 4.15Å; R264-C267 WeakPolarHBondContact O-CA 3.48Å; R264-C267 VanDerWaalsContact O-CB 3.28Å; R264-C267 WeakPolarHBondContact O-CB 3.42Å; R264-C267 PolarHBondContact O-N 3.25Å; R264-D268 PolarHBondContact O-N 3.16Å | ||
| 265 | L | 93.2 | Very high | 94.4 | Very high | 6 Ų | 6 | 45.1 Ų | 45.1 | 3% | 0.031 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -53.3 | -37.2 | -172.8 | -91.5 | 178.3 | 0 | 0 | 0 | 113.9 | L10 F58 E80 I88 T90 S263 C267 D268 F269 | L10-L265 HydrophobicContact CD1-CB 3.75Å; F58-L265 HydrophobicContact CE2-CD1 3.87Å; F58-L265 HydrophobicContact CZ-CD1 4.2Å; E80-L265 HydrophobicContact CG-CD2 3.83Å; I88-L265 HydrophobicContact CG2-CD2 3.9Å; T90-L265 HydrophobicContact CG2-CD1 4.15Å; T90-L265 HydrophobicContact CG2-CD2 3.21Å; T90-L265 HydrophobicContact CG2-CG 3.78Å; S263-L265 VanDerWaalsContact C-N 3.34Å; S263-L265 PolarHBondContact O-N 3.36Å; L265-C267 VanDerWaalsContact C-N 3.26Å; L265-C267 PolarHBondContact O-N 3.06Å; L265-D268 PolarHBondContact O-N 2.04Å; L265-F269 HydrophobicContact CB-CD2 4.39Å; L265-F269 HydrophobicContact CB-CE2 3.89Å; L265-F269 HydrophobicContact CB-CZ 4.23Å; L265-F269 HydrophobicContact CD1-CE2 4.5Å; L265-F269 HydrophobicContact CD1-CZ 4.38Å; L265-F269 HydrophobicContact CD2-CE1 4.04Å; L265-F269 HydrophobicContact CD2-CE2 4.18Å; L265-F269 HydrophobicContact CD2-CZ 3.66Å; L265-F269 HydrophobicContact CG-CE2 4.44Å; L265-F269 HydrophobicContact CG-CZ 4.33Å; L265-F269 WeakPolarHBondContact O-CB 3.05Å; L265-F269 WeakPolarHBondContact O-CD2 3.28Å; L265-F269 WeakPolarHBondContact O-CG 3.43Å; L265-F269 PolarHBondContact O-N 3.38Å |
| 266 | E | 94.3 | Very high | 94.2 | Very high | 3 Ų | 3 | 43.9 Ų | 43.9 | 1% | 0.014 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.5 | -32.4 | 176.7 | 71.9 | -73.9 | -179.2 | 0 | 0 | 112.9 | L10 T11 S13 F14 F24 R264 C270 | L10-E266 HydrophobicContact CD1-CB 4Å; T11-E266 VanDerWaalsContact O-CB 3.23Å; T11-E266 WeakPolarHBondContact O-CB 3.33Å; T11-E266 WeakPolarHBondContact O-CG 3.39Å; S13-E266 WeakPolarHBondContact O-CG 3.46Å; F14-E266 HydrophobicContact CD1-CB 4.12Å; F14-E266 HydrophobicContact CD1-CG 4.26Å; F14-E266 WeakPolarHBondContact CD1-O 3.46Å; F14-E266 HydrophobicContact CE1-CB 3.92Å; F14-E266 VanDerWaalsContact CE1-O 3.28Å; F14-E266 WeakPolarHBondContact CE1-O 2.92Å; F24-E266 HydrophobicContact CE2-CB 3.92Å; F24-E266 HydrophobicContact CZ-CB 3.93Å; R264-E266 IonicContact CZ-OE1 2.64Å; R264-E266 IonicContact NE-OE1 2.82Å; R264-E266 PolarHBondContact NE-OE1 2.84Å; R264-E266 IonicContact NH2-OE1 2.67Å; R264-E266 PolarHBondContact NH2-OE1 3.29Å; R264-E266 PolarHBondContact O-N 3.19Å; R264-E266 VanDerWaalsContact O-N 3.16Å; E266-C270 VanDerWaalsContact O-CB 3.27Å; E266-C270 WeakPolarHBondContact O-CB 2.94Å; E266-C270 PolarHBondContact O-N 3.17Å |
| 267 | C | 96.1 | Very high | 93.9 | Very high | 12 Ų | 12 | 49 Ų | 49 | 8% | 0.081 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68.7 | -43.1 | 173.7 | -58.5 | 0 | 0 | 0 | 0 | 110.8 | C17 R264 L265 C270 L271 | C17-C267 WeakPolarHBondContact CA-SG 3.27Å; C17-C267 HydrophobicContact CB-CB 3.62Å; C17-C267 WeakPolarHBondContact CB-SG 3.44Å; C17-C267 WeakPolarHBondContact SG-CA 3.28Å; C17-C267 WeakPolarHBondContact SG-CB 3.32Å; C17-C267 CovalentContact SG-SG 2.04Å; C17-C267 PolarHBondContact SG-SG 2.88Å; R264-C267 HydrophobicContact CB-CB 4.15Å; R264-C267 WeakPolarHBondContact O-CA 3.48Å; R264-C267 VanDerWaalsContact O-CB 3.28Å; R264-C267 WeakPolarHBondContact O-CB 3.42Å; R264-C267 PolarHBondContact O-N 3.25Å; L265-C267 VanDerWaalsContact C-N 3.26Å; L265-C267 PolarHBondContact O-N 3.06Å; C267-C270 PolarHBondContact O-N 3.3Å; C267-L271 WeakPolarHBondContact O-CB 3.07Å; C267-L271 PolarHBondContact O-N 3.31Å |
| 268 | D | 95.2 | Very high | 93.6 | Very high | 63 Ų | 63 | 54 Ų | 54 | 34% | 0.337 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.8 | -42.9 | 178.2 | -60.1 | -40.7 | 0 | 0 | 0 | 111.2 | I88 R264 L265 L272 | I88-D268 HydrophobicContact CD1-CB 3.97Å; I88-D268 HydrophobicContact CG1-CB 4.4Å; I88-D268 HydrophobicContact CG2-CB 3.89Å; R264-D268 PolarHBondContact O-N 3.16Å; L265-D268 PolarHBondContact O-N 2.04Å; D268-L272 VanDerWaalsContact O-CB 3.3Å; D268-L272 WeakPolarHBondContact O-CB 3.46Å; D268-L272 PolarHBondContact O-N 3.32Å |
| 269 | F | 95.6 | Very high | 93.2 | Very high | 9 Ų | 9 | 56.3 Ų | 56.3 | 4% | 0.039 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.4 | -40 | 175.8 | -62.8 | -30.8 | 0 | 0 | 0 | 112.5 | L10 L36 L38 I56 F58 E80 I88 L265 L272 A273 | L10-F269 HydrophobicContact CD1-CD2 3.98Å; L10-F269 HydrophobicContact CD1-CE2 3.78Å; L10-F269 HydrophobicContact CD2-CE2 4.3Å; L36-F269 HydrophobicContact CD2-CB 4.05Å; L36-F269 HydrophobicContact CD2-CD1 4.36Å; L36-F269 HydrophobicContact CD2-CG 4.47Å; L38-F269 HydrophobicContact CD1-CD2 3.7Å; L38-F269 HydrophobicContact CD1-CE2 3.46Å; L38-F269 VanDerWaalsContact CD1-CE2 3.46Å; L38-F269 HydrophobicContact CD1-CG 4.49Å; L38-F269 HydrophobicContact CD1-CZ 4.08Å; L38-F269 HydrophobicContact CD2-CD1 4.06Å; L38-F269 HydrophobicContact CD2-CD2 4.05Å; L38-F269 HydrophobicContact CD2-CE1 4.15Å; L38-F269 HydrophobicContact CD2-CE2 4.11Å; L38-F269 HydrophobicContact CD2-CG 4.03Å; L38-F269 HydrophobicContact CD2-CZ 4.16Å; L38-F269 HydrophobicContact CG-CE2 4.45Å; I56-F269 HydrophobicContact CD1-CD1 4.22Å; I56-F269 HydrophobicContact CD1-CE1 3.84Å; F58-F269 AromaticContact CD2-CZ 3.95Å; F58-F269 HydrophobicContact CD2-CZ 3.95Å; F58-F269 HydrophobicContact CE2-CE2 4.29Å; F58-F269 AromaticContact CE2-CZ 3.8Å; F58-F269 HydrophobicContact CE2-CZ 3.8Å; F58-F269 HydrophobicContact CZ-CE2 4.46Å; F58-F269 HydrophobicContact CZ-CZ 4.4Å; E80-F269 HydrophobicContact CB-CE1 4.19Å; E80-F269 HydrophobicContact CB-CZ 4.49Å; E80-F269 HydrophobicContact CG-CE1 4.05Å; E80-F269 HydrophobicContact CG-CZ 4.05Å; I88-F269 HydrophobicContact CD1-CD1 3.53Å; I88-F269 HydrophobicContact CD1-CE1 3.76Å; L265-F269 HydrophobicContact CB-CD2 4.39Å; L265-F269 HydrophobicContact CB-CE2 3.89Å; L265-F269 HydrophobicContact CB-CZ 4.23Å; L265-F269 HydrophobicContact CD1-CE2 4.5Å; L265-F269 HydrophobicContact CD1-CZ 4.38Å; L265-F269 HydrophobicContact CD2-CE1 4.04Å; L265-F269 HydrophobicContact CD2-CE2 4.18Å; L265-F269 HydrophobicContact CD2-CZ 3.66Å; L265-F269 HydrophobicContact CG-CE2 4.44Å; L265-F269 HydrophobicContact CG-CZ 4.33Å; L265-F269 WeakPolarHBondContact O-CB 3.05Å; L265-F269 WeakPolarHBondContact O-CD2 3.28Å; L265-F269 WeakPolarHBondContact O-CG 3.43Å; L265-F269 PolarHBondContact O-N 3.38Å; F269-L272 PolarHBondContact O-N 2.66Å; F269-A273 WeakPolarHBondContact O-CB 3.36Å; F269-A273 PolarHBondContact O-N 3.09Å |
| 270 | C | 96.7 | Very high | 92.3 | Very high | 1 Ų | 1 | 60.9 Ų | 60.9 | 1% | 0.007 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67.1 | -45.9 | 177.9 | -174.8 | 0 | 0 | 0 | 0 | 111.5 | F14 V19 C22 E266 C267 L272 A273 H274 | F14-C270 HydrophobicContact CD1-CB 3.66Å; F14-C270 HydrophobicContact CE1-CB 3.71Å; V19-C270 PolarHBondContact O-SG 3.32Å; C22-C270 HydrophobicContact CB-CB 3.79Å; C22-C270 WeakPolarHBondContact CB-SG 3.45Å; C22-C270 WeakPolarHBondContact SG-CA 3.26Å; C22-C270 WeakPolarHBondContact SG-CB 3.42Å; C22-C270 CovalentContact SG-SG 2.03Å; C22-C270 PolarHBondContact SG-SG 2.99Å; E266-C270 VanDerWaalsContact O-CB 3.27Å; E266-C270 WeakPolarHBondContact O-CB 2.94Å; E266-C270 PolarHBondContact O-N 3.17Å; C267-C270 PolarHBondContact O-N 3.3Å; C270-L272 VanDerWaalsContact C-N 3.3Å; C270-L272 PolarHBondContact O-N 3.35Å; C270-A273 PolarHBondContact O-N 3.18Å; C270-H274 PolarHBondContact O-CD2 3.43Å; C270-H274 PolarHBondContact O-N 2.96Å |
| 271 | L | 96 | Very high | 91.1 | Very high | 82 Ų | 82 | 62 Ų | 62 | 43% | 0.429 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.4 | -43.8 | 174.8 | 178.1 | 61.9 | 0 | 0 | 0 | 111.4 | V19 C267 H274 S275 | V19-L271 HydrophobicContact CG2-CD1 3.69Å; C267-L271 WeakPolarHBondContact O-CB 3.07Å; C267-L271 PolarHBondContact O-N 3.31Å; L271-H274 PolarHBondContact O-N 2.88Å; L271-S275 WeakPolarHBondContact O-CB 3.5Å; L271-S275 PolarHBondContact O-N 2.66Å; L271-S275 PolarHBondContact O-OG 3.14Å |
| 272 | L | 95 | Very high | 90.2 | Very high | 16 Ų | 16 | 60.5 Ų | 60.5 | 8% | 0.084 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.1 | -45.5 | 176.8 | -179.6 | 61.9 | 0 | 0 | 0 | 111.6 | L36 I56 F78 I88 D268 F269 C270 H274 S275 L276 I279 | L36-L272 HydrophobicContact CD1-CD2 4.3Å; L36-L272 HydrophobicContact CD2-CD2 4.2Å; I56-L272 HydrophobicContact CD1-CD2 4.19Å; F78-L272 HydrophobicContact CB-CD2 4.11Å; F78-L272 HydrophobicContact CD1-CD1 4.31Å; F78-L272 HydrophobicContact CD2-CD1 4.33Å; F78-L272 HydrophobicContact CD2-CD2 3.91Å; F78-L272 HydrophobicContact CD2-CG 4.43Å; F78-L272 HydrophobicContact CE1-CD1 4.17Å; F78-L272 HydrophobicContact CE2-CD1 4.21Å; F78-L272 HydrophobicContact CG-CD1 4.37Å; F78-L272 HydrophobicContact CG-CD2 3.93Å; F78-L272 HydrophobicContact CZ-CD1 4.12Å; I88-L272 HydrophobicContact CD1-CB 4.46Å; I88-L272 HydrophobicContact CD1-CD2 3.88Å; D268-L272 VanDerWaalsContact O-CB 3.3Å; D268-L272 WeakPolarHBondContact O-CB 3.46Å; D268-L272 PolarHBondContact O-N 3.32Å; F269-L272 PolarHBondContact O-N 2.66Å; C270-L272 VanDerWaalsContact C-N 3.3Å; C270-L272 PolarHBondContact O-N 3.35Å; L272-H274 VanDerWaalsContact C-N 3.34Å; L272-H274 PolarHBondContact O-N 2.87Å; L272-S275 PolarHBondContact O-N 2.81Å; L272-L276 WeakPolarHBondContact O-CG 3.47Å; L272-L276 PolarHBondContact O-N 3.32Å; L272-L276 VanDerWaalsContact O-N 3.12Å; L272-I279 HydrophobicContact CD1-CD1 3.47Å; L272-I279 VanDerWaalsContact CD1-CD1 3.47Å |
| 273 | A | 95 | Very high | 89.2 | Confident | 22 Ų | 22 | 61 Ų | 61 | 18% | 0.182 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.8 | -44.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112 | L36 F269 C270 S275 L276 | L36-A273 HydrophobicContact CB-CB 4.29Å; F269-A273 WeakPolarHBondContact O-CB 3.36Å; F269-A273 PolarHBondContact O-N 3.09Å; C270-A273 PolarHBondContact O-N 3.18Å; A273-S275 VanDerWaalsContact C-N 3.25Å; A273-S275 PolarHBondContact O-N 2.79Å; A273-L276 WeakPolarHBondContact O-CB 3.17Å; A273-L276 WeakPolarHBondContact O-CG 3.3Å; A273-L276 PolarHBondContact O-N 2.91Å |
| 274 | H | 94.5 | Very high | 88.6 | Confident | 73 Ų | 73 | 60.7 Ų | 60.7 | 34% | 0.338 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -66.7 | -27.1 | 175 | -87.4 | -85.7 | 0 | 0 | 0 | 113.5 | V19 I21 C22 C270 L271 L272 P277 | V19-H274 HydrophobicContact CG1-CB 4.14Å; V19-H274 WeakPolarHBondContact CG1-CD2 3.38Å; I21-H274 WeakPolarHBondContact CD1-CE1 3.24Å; I21-H274 VanDerWaalsContact CG1-CE1 3.46Å; I21-H274 WeakPolarHBondContact CG1-CE1 3.33Å; I21-H274 PolarHBondContact O-NE2 3.22Å; C22-H274 VanDerWaalsContact SG-CD2 3.52Å; C270-H274 PolarHBondContact O-CD2 3.43Å; C270-H274 PolarHBondContact O-N 2.96Å; L271-H274 PolarHBondContact O-N 2.88Å; L272-H274 VanDerWaalsContact C-N 3.34Å; L272-H274 PolarHBondContact O-N 2.87Å; H274-P277 WeakPolarHBondContact O-CD 3.33Å |
| 275 | S | 93.7 | Very high | 88.2 | Confident | 35 Ų | 35 | 62 Ų | 62 | 25% | 0.245 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -83.3 | -14.9 | -180 | -58.2 | 0 | 0 | 0 | 0 | 113.3 | L271 L272 A273 P277 F278 I279 | L271-S275 WeakPolarHBondContact O-CB 3.5Å; L271-S275 PolarHBondContact O-N 2.66Å; L271-S275 PolarHBondContact O-OG 3.14Å; L272-S275 PolarHBondContact O-N 2.81Å; A273-S275 VanDerWaalsContact C-N 3.25Å; A273-S275 PolarHBondContact O-N 2.79Å; S275-P277 VanDerWaalsContact C-CD 3.41Å; S275-P277 VanDerWaalsContact C-N 3.34Å; S275-F278 PolarHBondContact O-N 2.94Å; S275-I279 WeakPolarHBondContact O-CG1 3.47Å; S275-I279 PolarHBondContact O-N 2.96Å; S275-I279 VanDerWaalsContact O-N 3.12Å |
| 276 | L | 92.6 | Very high | 88.1 | Confident | 29 Ų | 29 | 64 Ų | 64 | 15% | 0.152 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | -41.2 | -174.9 | -68.5 | -179.5 | 0 | 0 | 0 | 114.9 | D35 A54 F78 L272 A273 F278 I279 | D35-L276 HydrophobicContact CB-CD1 4.25Å; D35-L276 WeakPolarHBondContact O-CD1 3.46Å; A54-L276 HydrophobicContact CB-CD1 3.92Å; A54-L276 HydrophobicContact CB-CD2 3.62Å; A54-L276 HydrophobicContact CB-CG 4.45Å; F78-L276 HydrophobicContact CD2-CD2 4.42Å; F78-L276 HydrophobicContact CE2-CD2 3.45Å; F78-L276 VanDerWaalsContact CE2-CD2 3.45Å; F78-L276 HydrophobicContact CZ-CD2 4Å; L272-L276 WeakPolarHBondContact O-CG 3.47Å; L272-L276 PolarHBondContact O-N 3.32Å; L272-L276 VanDerWaalsContact O-N 3.12Å; A273-L276 WeakPolarHBondContact O-CB 3.17Å; A273-L276 WeakPolarHBondContact O-CG 3.3Å; A273-L276 PolarHBondContact O-N 2.91Å; L276-F278 PolarHBondContact O-N 2.86Å; L276-I279 HydrophobicContact CD2-CD1 4.48Å |
| 277 | P | 91.2 | Very high | 88 | Confident | 108 Ų | 108 | 64 Ų | 64 | 70% | 0.701 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -21.6 | 177.7 | -22.9 | 35.8 | 0 | 0 | 0 | 114.1 | H274 S275 | H274-P277 WeakPolarHBondContact O-CD 3.33Å; S275-P277 VanDerWaalsContact C-CD 3.41Å; S275-P277 VanDerWaalsContact C-N 3.34Å |
| 278 | F | 91.3 | Very high | 87.7 | Confident | 177 Ų | 177 | 65.4 Ų | 65.4 | 78% | 0.776 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106 | -14.9 | -171.9 | -50.8 | -71.7 | 0 | 0 | 0 | 113.4 | S275 L276 | S275-F278 PolarHBondContact O-N 2.94Å; L276-F278 PolarHBondContact O-N 2.86Å |
| 279 | I | 88.6 | Confident | 87.5 | Confident | 64 Ų | 64 | 64.5 Ų | 64.5 | 33% | 0.328 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -111.9 | 139 | -178.5 | 68.2 | -177.1 | 0 | 0 | 0 | 110.7 | F78 L272 S275 L276 | F78-I279 HydrophobicContact CE1-CD1 3.89Å; F78-I279 HydrophobicContact CE2-CD1 4.49Å; F78-I279 HydrophobicContact CZ-CD1 3.57Å; F78-I279 HydrophobicContact CZ-CG1 4.03Å; L272-I279 HydrophobicContact CD1-CD1 3.47Å; L272-I279 VanDerWaalsContact CD1-CD1 3.47Å; S275-I279 WeakPolarHBondContact O-CG1 3.47Å; S275-I279 PolarHBondContact O-N 2.96Å; S275-I279 VanDerWaalsContact O-N 3.12Å; L276-I279 HydrophobicContact CD2-CD1 4.48Å |
| 280 | K | 76.8 | Confident | 87.3 | Confident | 177 Ų | 177 | 65.7 Ų | 65.7 | 77% | 0.77 | 34% | 0.339 | S | S | * | . | trans | -75.3 | 129.8 | 169.8 | -170 | 176.6 | -180 | 179.1 | 0 | 108.3 | T282 | K280-T282 PolarHBondContact O-N 2.74Š| ||
| 281 | P | 71.3 | Confident | 87 | Confident | 42 Ų | 42 | 65.6 Ų | 65.6 | 27% | 0.273 | 34% | 0.338 | S | S | . | . | trans | -58.4 | 136.6 | 174.5 | 21.3 | -31.1 | 0 | 0 | 0 | 110.7 | N77 F78 W283 | N77-P281 HydrophobicContact CB-CB 3.74Å; N77-P281 WeakPolarHBondContact ND2-CB 3.2Å; F78-P281 HydrophobicContact CZ-CB 4.38Å; P281-W283 HydrophobicContact CG-CZ2 4.27Å; P281-W283 PolarHBondContact O-N 3.29Å | ||
| 282 | T | 68.8 | Low | 86.7 | Confident | 68 Ų | 68 | 63 Ų | 63 | 42% | 0.417 | 33% | 0.328 | S | S | . | . | trans | -78.3 | 110.8 | 172.5 | 48.7 | 0 | 0 | 0 | 0 | 109.1 | N77 K280 Y284 | N77-T282 CarbonylContact C-O 3.59Å; N77-T282 WeakPolarHBondContact CA-O 3.33Å; N77-T282 CarbonylContact O-C 3.44Å; N77-T282 PolarHBondContact O-N 3.25Å; N77-T282 VanDerWaalsContact O-N 3.14Å; N77-T282 PolarHBondContact O-OG1 2.72Å; K280-T282 PolarHBondContact O-N 2.74Å; T282-Y284 PolarHBondContact O-N 3.38Å | ||
| 283 | W | 67.4 | Low | 86.5 | Confident | 142 Ų | 142 | 66.9 Ų | 66.9 | 54% | 0.538 | 35% | 0.349 | S | S | . | . | trans | -82.1 | 112.3 | 175.5 | -62.2 | 91 | 0 | 0 | 0 | 108.7 | D74 P281 | D74-W283 VanDerWaalsContact O-CE3 3.23Å; D74-W283 WeakPolarHBondContact O-CZ3 3.36Å; P281-W283 HydrophobicContact CG-CZ2 4.27Å; P281-W283 PolarHBondContact O-N 3.29Å | ||
| 284 | Y | 76 | Confident | 86.4 | Confident | 38 Ų | 38 | 66 Ų | 66 | 15% | 0.149 | 34% | 0.342 | C | S | . | . | trans | -73.7 | 126.4 | 160.4 | -68.1 | -97.4 | 0 | 0 | 0 | 106.7 | D74 T79 T282 D286 W290 | D74-Y284 WeakPolarHBondContact CA-O 3.36Å; T79-Y284 HydrophobicContact CG2-CD2 4.01Å; T79-Y284 HydrophobicContact CG2-CE1 3.95Å; T79-Y284 HydrophobicContact CG2-CE2 3.39Å; T79-Y284 WeakPolarHBondContact CG2-OH 3.37Å; T79-Y284 PolarHBondContact OG1-OH 2.91Å; T282-Y284 PolarHBondContact O-N 3.38Å; Y284-D286 PolarHBondContact O-N 2.89Å; Y284-W290 HydrophobicContact CD1-CB 3.91Å; Y284-W290 HydrophobicContact CD1-CD2 4.22Å; Y284-W290 AromaticContact CD1-CG 3.8Å; Y284-W290 HydrophobicContact CD1-CG 3.8Å; Y284-W290 HydrophobicContact CE1-CB 4.33Å; Y284-W290 AromaticContact CE1-CD1 3.71Å; Y284-W290 AromaticContact CE1-CD2 3.82Å; Y284-W290 HydrophobicContact CE1-CD2 3.82Å; Y284-W290 AromaticContact CE1-CE2 3.92Å; Y284-W290 HydrophobicContact CE1-CE3 4.49Å; Y284-W290 AromaticContact CE1-CG 3.71Å; Y284-W290 HydrophobicContact CE1-CG 3.71Å; Y284-W290 AromaticContact CE1-NE1 3.83Å | ||
| 285 | T | 83.9 | Confident | 86.3 | Confident | 136 Ų | 136 | 63.8 Ų | 63.8 | 83% | 0.834 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -61.5 | -33.9 | 172.9 | 47.8 | 0 | 0 | 0 | 0 | 111 | ||
| 286 | D | 90.9 | Very high | 86.3 | Confident | 48 Ų | 48 | 68.4 Ų | 68.4 | 26% | 0.257 | 36% | 0.356 | S | S | . | . | trans | -153.4 | 105.7 | 173.5 | -177.8 | -12.1 | 0 | 0 | 0 | 110.1 | Y284 H288 S289 W290 | Y284-D286 PolarHBondContact O-N 2.89Å; D286-H288 VanDerWaalsContact C-N 3.33Å; D286-H288 PolarHBondContact O-N 3.24Å; D286-H288 WeakPolarHBondContact OD1-CA 3.04Å; D286-H288 WeakPolarHBondContact OD1-CB 3.32Å; D286-H288 PolarHBondContact OD1-N 3.45Å; D286-S289 VanDerWaalsContact CG-CB 3.42Å; D286-S289 PolarHBondContact O-N 3.36Å; D286-S289 PolarHBondContact OD1-N 3.4Å; D286-S289 VanDerWaalsContact OD2-CB 3.29Å; D286-S289 WeakPolarHBondContact OD2-CB 2.99Å; D286-S289 PolarHBondContact OD2-OG 2.92Å; D286-W290 PolarHBondContact O-N 3.27Å | ||
| 287 | Y | 90.8 | Very high | 86.2 | Confident | 3 Ų | 3 | 70.3 Ų | 70.3 | 1% | 0.012 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -61.2 | -40.2 | 176.4 | 170.2 | -105.6 | 0 | 0 | 0 | 112.6 | S59 T69 L72 K73 I76 T79 W290 L291 | S59-Y287 VanDerWaalsContact CB-OH 3.32Å; S59-Y287 WeakPolarHBondContact CB-OH 3.3Å; T69-Y287 HydrophobicContact CG2-CD1 4.39Å; T69-Y287 HydrophobicContact CG2-CE1 3.76Å; L72-Y287 HydrophobicContact CB-CD1 4.35Å; L72-Y287 HydrophobicContact CD1-CD1 3.58Å; L72-Y287 HydrophobicContact CD1-CE1 3.75Å; K73-Y287 PolarHBondContact O-N 3.47Å; I76-Y287 HydrophobicContact CB-CD2 4.29Å; I76-Y287 HydrophobicContact CB-CG 4.18Å; I76-Y287 HydrophobicContact CG1-CD1 4.07Å; I76-Y287 HydrophobicContact CG1-CD2 4.21Å; I76-Y287 HydrophobicContact CG1-CG 3.78Å; I76-Y287 HydrophobicContact CG2-CD2 3.97Å; I76-Y287 HydrophobicContact CG2-CE2 4.49Å; I76-Y287 HydrophobicContact CG2-CG 4.35Å; T79-Y287 HydrophobicContact CG2-CD2 3.78Å; T79-Y287 HydrophobicContact CG2-CE2 3.73Å; Y287-W290 AromaticContact CD2-CE3 3.91Å; Y287-W290 HydrophobicContact CD2-CE3 3.91Å; Y287-W290 HydrophobicContact CD2-CZ3 4.23Å; Y287-W290 AromaticContact CE2-CE3 3.85Å; Y287-W290 HydrophobicContact CE2-CE3 3.85Å; Y287-W290 AromaticContact CE2-CZ3 3.72Å; Y287-W290 HydrophobicContact CE2-CZ3 3.72Å; Y287-W290 PolarHBondContact O-N 2.87Å; Y287-L291 HydrophobicContact CE2-CD1 4.43Å; Y287-L291 PolarHBondContact O-N 2.93Å |
| 288 | H | 90.9 | Very high | 86.3 | Confident | 41 Ų | 41 | 69.2 Ų | 69.2 | 19% | 0.19 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -64.3 | -48.5 | 179.2 | 174.5 | 75 | 0 | 0 | 0 | 110.3 | T69 D286 W290 L291 A292 | T69-H288 PolarHBondContact OG1-ND1 3Å; D286-H288 VanDerWaalsContact C-N 3.33Å; D286-H288 PolarHBondContact O-N 3.24Å; D286-H288 WeakPolarHBondContact OD1-CA 3.04Å; D286-H288 WeakPolarHBondContact OD1-CB 3.32Å; D286-H288 PolarHBondContact OD1-N 3.45Å; H288-W290 VanDerWaalsContact C-N 3.33Å; H288-W290 PolarHBondContact O-N 2.03Å; H288-L291 PolarHBondContact O-N 3.37Å; H288-A292 VanDerWaalsContact O-CB 3.26Å; H288-A292 WeakPolarHBondContact O-CB 3.15Å; H288-A292 PolarHBondContact O-N 2.82Å |
| 289 | S | 90.9 | Very high | 86.3 | Confident | 43 Ų | 43 | 67.5 Ų | 67.5 | 30% | 0.301 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.8 | -42.6 | 176.5 | -72.4 | 0 | 0 | 0 | 0 | 111.5 | D286 L291 A292 N293 | D286-S289 VanDerWaalsContact CG-CB 3.42Å; D286-S289 PolarHBondContact O-N 3.36Å; D286-S289 PolarHBondContact OD1-N 3.4Å; D286-S289 VanDerWaalsContact OD2-CB 3.29Å; D286-S289 WeakPolarHBondContact OD2-CB 2.99Å; D286-S289 PolarHBondContact OD2-OG 2.92Å; S289-L291 PolarHBondContact O-N 2.94Å; S289-A292 PolarHBondContact O-N 2.79Å; S289-N293 WeakPolarHBondContact O-CB 3.19Å; S289-N293 PolarHBondContact O-N 3Å; S289-N293 PolarHBondContact O-ND2 3.4Å; S289-N293 VanDerWaalsContact O-ND2 3.13Å |
| 290 | W | 90.8 | Very high | 86.4 | Confident | 34 Ų | 34 | 65 Ų | 65 | 13% | 0.129 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -53.2 | -54.1 | 173.8 | 169.3 | 79.5 | 0 | 0 | 0 | 110.5 | T79 R83 D85 A86 Y284 D286 Y287 H288 | T79-W290 HydrophobicContact CG2-CE3 3.95Å; T79-W290 HydrophobicContact CG2-CH2 3.87Å; T79-W290 HydrophobicContact CG2-CZ2 4.44Å; T79-W290 HydrophobicContact CG2-CZ3 3.59Å; R83-W290 HydrophobicContact CB-CH2 4.37Å; R83-W290 HydrophobicContact CB-CZ2 4.15Å; R83-W290 PolarHBondContact NH1-O 3.28Å; D85-W290 WeakPolarHBondContact OD1-CZ2 3.13Å; D85-W290 PolarHBondContact OD1-NE1 3.24Å; A86-W290 HydrophobicContact CB-CH2 4.02Å; A86-W290 HydrophobicContact CB-CZ2 4.18Å; Y284-W290 HydrophobicContact CD1-CB 3.91Å; Y284-W290 HydrophobicContact CD1-CD2 4.22Å; Y284-W290 AromaticContact CD1-CG 3.8Å; Y284-W290 HydrophobicContact CD1-CG 3.8Å; Y284-W290 HydrophobicContact CE1-CB 4.33Å; Y284-W290 AromaticContact CE1-CD1 3.71Å; Y284-W290 AromaticContact CE1-CD2 3.82Å; Y284-W290 HydrophobicContact CE1-CD2 3.82Å; Y284-W290 AromaticContact CE1-CE2 3.92Å; Y284-W290 HydrophobicContact CE1-CE3 4.49Å; Y284-W290 AromaticContact CE1-CG 3.71Å; Y284-W290 HydrophobicContact CE1-CG 3.71Å; Y284-W290 AromaticContact CE1-NE1 3.83Å; D286-W290 PolarHBondContact O-N 3.27Å; Y287-W290 AromaticContact CD2-CE3 3.91Å; Y287-W290 HydrophobicContact CD2-CE3 3.91Å; Y287-W290 HydrophobicContact CD2-CZ3 4.23Å; Y287-W290 AromaticContact CE2-CE3 3.85Å; Y287-W290 HydrophobicContact CE2-CE3 3.85Å; Y287-W290 AromaticContact CE2-CZ3 3.72Å; Y287-W290 HydrophobicContact CE2-CZ3 3.72Å; Y287-W290 PolarHBondContact O-N 2.87Å; H288-W290 VanDerWaalsContact C-N 3.33Å; H288-W290 PolarHBondContact O-N 2.03Å |
| 291 | L | 90.2 | Very high | 86.8 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.7 | -53.2 | -179.2 | -149.9 | 82.6 | 0 | 0 | 0 | 111.3 | P63 H66 Y287 H288 S289 N293 G294 | P63-L291 HydrophobicContact CB-CD2 4.24Å; P63-L291 HydrophobicContact CB-CG 4.48Å; P63-L291 VanDerWaalsContact CG-C 3.48Å; P63-L291 HydrophobicContact CG-CB 4.33Å; P63-L291 HydrophobicContact CG-CD2 4.14Å; P63-L291 HydrophobicContact CG-CG 3.94Å; P63-L291 WeakPolarHBondContact CG-O 3.27Å; H66-L291 HydrophobicContact CB-CD2 4.47Å; Y287-L291 HydrophobicContact CE2-CD1 4.43Å; Y287-L291 PolarHBondContact O-N 2.93Å; H288-L291 PolarHBondContact O-N 3.37Å; S289-L291 PolarHBondContact O-N 2.94Å; L291-N293 PolarHBondContact O-N 3.14Å; L291-G294 PolarHBondContact O-N 3.18Å; L291-G294 VanDerWaalsContact O-N 3.12Å |
| 292 | A | 90.2 | Very high | 87.2 | Confident | 27 Ų | 27 | 64.1 Ų | 64.1 | 22% | 0.223 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.3 | -38.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | P63 H288 S289 G294 C295 L296 | P63-A292 HydrophobicContact CB-CB 4.41Å; H288-A292 VanDerWaalsContact O-CB 3.26Å; H288-A292 WeakPolarHBondContact O-CB 3.15Å; H288-A292 PolarHBondContact O-N 2.82Å; S289-A292 PolarHBondContact O-N 2.79Å; A292-G294 PolarHBondContact O-N 3.17Å; A292-G294 VanDerWaalsContact O-N 3.11Å; A292-C295 PolarHBondContact O-N 3.34Å; A292-L296 PolarHBondContact O-N 3.47Å |
| 293 | N | 92 | Very high | 87.2 | Confident | 98 Ų | 98 | 69.6 Ų | 69.6 | 52% | 0.524 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60.2 | -23.4 | 176.9 | -73.8 | -17.1 | 0 | 0 | 0 | 112.4 | S289 L291 C295 L296 | S289-N293 WeakPolarHBondContact O-CB 3.19Å; S289-N293 PolarHBondContact O-N 3Å; S289-N293 PolarHBondContact O-ND2 3.4Å; S289-N293 VanDerWaalsContact O-ND2 3.13Å; L291-N293 PolarHBondContact O-N 3.14Å; N293-C295 PolarHBondContact O-N 3.12Å; N293-C295 VanDerWaalsContact O-N 3.17Å; N293-L296 PolarHBondContact O-N 3.39Å |
| 294 | G | 92.1 | Very high | 87.1 | Confident | 3 Ų | 3 | 68 Ų | 68 | 3% | 0.031 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -25.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | C182 K183 L291 A292 R298 | C182-G294 CarbonylContact C-O 3.58Å; C182-G294 WeakPolarHBondContact CA-O 3.03Å; K183-G294 WeakPolarHBondContact CB-O 3.13Å; K183-G294 PolarHBondContact N-O 3.24Å; L291-G294 PolarHBondContact O-N 3.18Å; L291-G294 VanDerWaalsContact O-N 3.12Å; A292-G294 PolarHBondContact O-N 3.17Å; A292-G294 VanDerWaalsContact O-N 3.11Å; G294-R298 WeakPolarHBondContact O-CD 3.46Å |
| 295 | C | 93.2 | Very high | 87.6 | Confident | 26 Ų | 26 | 69.5 Ų | 69.5 | 18% | 0.176 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.8 | -15.6 | -178.4 | -47.4 | 0 | 0 | 0 | 0 | 113.5 | P63 C182 A292 N293 G297 R298 | P63-C295 WeakPolarHBondContact CD-SG 3.43Å; P63-C295 VanDerWaalsContact CG-SG 3.56Å; C182-C295 HydrophobicContact CB-CB 4.05Å; C182-C295 WeakPolarHBondContact CB-SG 3.4Å; C182-C295 WeakPolarHBondContact SG-CB 3.25Å; C182-C295 CovalentContact SG-SG 2.03Å; C182-C295 PolarHBondContact SG-SG 3.44Å; A292-C295 PolarHBondContact O-N 3.34Å; N293-C295 PolarHBondContact O-N 3.12Å; N293-C295 VanDerWaalsContact O-N 3.17Å; C295-G297 PolarHBondContact O-N 2.75Å; C295-R298 WeakPolarHBondContact O-CB 3.33Å; C295-R298 PolarHBondContact O-N 3.05Å |
| 296 | L | 91.6 | Very high | 87.8 | Confident | 132 Ų | 132 | 65.9 Ų | 65.9 | 69% | 0.691 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | 128.8 | -170.4 | -174 | 64.5 | 0 | 0 | 0 | 111.6 | A292 N293 R298 | A292-L296 PolarHBondContact O-N 3.47Å; N293-L296 PolarHBondContact O-N 3.39Å; L296-R298 PolarHBondContact O-N 3.06Å; L296-R298 VanDerWaalsContact O-N 3.09Å |
| 297 | G | 91.2 | Very high | 87.7 | Confident | 70 Ų | 70 | 66.9 Ų | 66.9 | 72% | 0.722 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.6 | -1.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | C295 | C295-G297 PolarHBondContact O-N 2.75Š|
| 298 | R | 93.3 | Very high | 87.5 | Confident | 84 Ų | 84 | 70.7 Ų | 70.7 | 32% | 0.317 | 37% | 0.365 | S | S | . | . | trans | -82.6 | 128.5 | -177.6 | -60.2 | -175.7 | 67.5 | 98.6 | 1.1 | 111.1 | I181 E210 G294 C295 L296 | I181-R298 HydrophobicContact CB-CB 4.42Å; I181-R298 HydrophobicContact CG2-CB 3.69Å; I181-R298 VanDerWaalsContact O-CB 3.31Å; I181-R298 WeakPolarHBondContact O-CB 3.45Å; E210-R298 IonicContact OE1-NH1 3.42Å; E210-R298 IonicContact OE1-NH2 3.78Å; E210-R298 IonicContact OE2-CZ 3.9Å; E210-R298 IonicContact OE2-NH1 3.41Å; E210-R298 IonicContact OE2-NH2 2.74Å; E210-R298 PolarHBondContact OE2-NH2 2.88Å; G294-R298 WeakPolarHBondContact O-CD 3.46Å; C295-R298 WeakPolarHBondContact O-CB 3.33Å; C295-R298 PolarHBondContact O-N 3.05Å; L296-R298 PolarHBondContact O-N 3.06Å; L296-R298 VanDerWaalsContact O-N 3.09Å | ||
| 299 | K | 92.6 | Very high | 87.3 | Confident | 142 Ų | 142 | 72.6 Ų | 72.6 | 62% | 0.617 | 38% | 0.375 | S | S | * | . | trans | -154.3 | 160.5 | -178.9 | 60.8 | -167.8 | 178 | -164.9 | 0 | 109 | ||||
| 300 | P | 90.3 | Very high | 87 | Confident | 11 Ų | 11 | 74.5 Ų | 74.5 | 7% | 0.071 | 38% | 0.38 | C | S | . | . | trans | -63.5 | 157.3 | 173.7 | -13.7 | 31 | 0 | 0 | 0 | 110.1 | P135 Y139 I181 M204 W302 | P135-P300 HydrophobicContact CG-CG 3.88Å; Y139-P300 HydrophobicContact CE1-CB 4.1Å; Y139-P300 HydrophobicContact CE1-CG 4.22Å; Y139-P300 HydrophobicContact CE2-CG 4.18Å; Y139-P300 VanDerWaalsContact OH-CB 3.31Å; Y139-P300 WeakPolarHBondContact OH-CB 3.37Å; I181-P300 HydrophobicContact CD1-CG 3.59Å; M204-P300 HydrophobicContact CG-CG 4.09Å; M204-P300 HydrophobicContact SD-CG 3.77Å; P300-W302 VanDerWaalsContact C-N 3.32Å; P300-W302 PolarHBondContact O-N 3.24Å | ||
| 301 | K | 85.2 | Confident | 86.8 | Confident | 158 Ų | 158 | 77.4 Ų | 77.4 | 69% | 0.687 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -62.4 | -31.8 | -169.5 | -79.2 | -175.2 | -170.9 | 173.8 | 0 | 114.8 | D224 | D224-K301 HydrophobicContact CB-CB 4.4Å; D224-K301 HydrophobicContact CB-CD 3.84Å; D224-K301 HydrophobicContact CB-CG 4.01Å; D224-K301 PolarHBondContact OD1-N 3.12Å |
| 302 | W | 78.8 | Confident | 86.5 | Confident | 43 Ų | 43 | 83.4 Ų | 83.4 | 16% | 0.163 | 43% | 0.429 | C | S | . | . | S | Bend | trans | -113.2 | 152.3 | 177.2 | 45.9 | 93.6 | 0 | 0 | 0 | 111.6 | Y139 V223 D224 F226 P300 | Y139-W302 AromaticContact CE1-NE1 3.98Å; Y139-W302 PolarHBondContact OH-O 2.88Å; V223-W302 WeakPolarHBondContact O-CH2 3.27Å; V223-W302 WeakPolarHBondContact O-CZ2 3.39Å; D224-W302 HydrophobicContact CB-CZ3 4.43Å; F226-W302 VanDerWaalsContact C-CH2 3.47Å; F226-W302 HydrophobicContact CB-CH2 4.22Å; F226-W302 HydrophobicContact CB-CZ2 4.47Å; F226-W302 WeakPolarHBondContact O-CH2 3.46Å; F226-W302 WeakPolarHBondContact O-CZ3 3.46Å; P300-W302 VanDerWaalsContact C-N 3.32Å; P300-W302 PolarHBondContact O-N 3.24Å |
| 303 | K | 69.6 | Low | 86.2 | Confident | 183 Ų | 183 | 88.1 Ų | 88.1 | 80% | 0.796 | 45% | 0.446 | S | S | * | . | trans | -87.9 | 146.7 | 164.1 | -66.1 | -177.8 | 177.5 | -178.2 | 0 | 108.7 | ||||
| 304 | L | 64.4 | Low | 85.7 | Confident | 107 Ų | 107 | 87.2 Ų | 87.2 | 56% | 0.56 | 44% | 0.439 | S | S | * | . | trans | -79.5 | 0 | 176 | -66.9 | 173.9 | 0 | 0 | 0 | 112.1 | L138 Y139 V142 L229 | L138-L304 HydrophobicContact CB-CD1 4.18Å; L138-L304 HydrophobicContact CD2-CB 4.23Å; L138-L304 HydrophobicContact CD2-CD1 3.84Å; L138-L304 HydrophobicContact CG-CD1 3.55Å; Y139-L304 HydrophobicContact CD2-CD1 3.29Å; Y139-L304 HydrophobicContact CD2-CG 4.05Å; Y139-L304 HydrophobicContact CE2-CD1 3.45Å; Y139-L304 VanDerWaalsContact CE2-CD1 3.45Å; Y139-L304 HydrophobicContact CE2-CD2 4.41Å; Y139-L304 HydrophobicContact CE2-CG 3.7Å; Y139-L304 HydrophobicContact CG-CD1 3.9Å; V142-L304 HydrophobicContact CB-CD1 4.31Å; V142-L304 HydrophobicContact CB-CD2 4.34Å; V142-L304 HydrophobicContact CG1-CD2 4.16Å; V142-L304 HydrophobicContact CG2-CD1 4.01Å; L229-L304 HydrophobicContact CD1-CD1 4.35Å; L229-L304 HydrophobicContact CD1-CD2 3.46Å; L229-L304 VanDerWaalsContact CD1-CD2 3.46Å; L229-L304 HydrophobicContact CG-CD2 3.99Å |
Retrieved 304 of 304 residues in 105.8 ms
(Link to these results)