| 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 | 82.7 | Confident | 84.6 | Confident | 130 Ų | 130 | 69.5 Ų | 69.5 | 64% | 0.64 | 39% | 0.385 | S | S | * | . | 0 | 143.6 | 0 | -175 | 167.8 | 65.2 | 0 | 0 | 108.6 | N26 | M1-N26 PolarHBondContact O-N 2.92Š| |||
| 2 | V | 90.1 | Very high | 83.5 | Confident | 84 Ų | 84 | 79.7 Ų | 79.7 | 51% | 0.509 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 125.8 | 173 | 174.9 | 0 | 0 | 0 | 0 | 108.2 | C23 Y24 L71 | V2-C23 HydrophobicContact CG1-CB 4.48Å; V2-Y24 WeakPolarHBondContact CA-O 3.37Å; V2-L71 HydrophobicContact CB-CD1 4.39Å; V2-L71 HydrophobicContact CG1-CD1 3.75Å; V2-L71 HydrophobicContact CG2-CD1 3.73Å |
| 3 | D | 90 | Very high | 82.6 | Confident | 38 Ų | 38 | 88.9 Ų | 88.9 | 20% | 0.203 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 136.7 | 173.6 | -71.6 | -9.2 | 0 | 0 | 0 | 108.8 | C23 Y24 N26 | D3-C23 WeakPolarHBondContact O-CA 3.24Å; D3-Y24 HydrophobicContact CB-CD2 4.44Å; D3-Y24 HydrophobicContact CB-CE1 4.11Å; D3-Y24 HydrophobicContact CB-CE2 3.84Å; D3-Y24 PolarHBondContact N-O 3.25Å; D3-Y24 PolarHBondContact O-N 2.57Å; D3-N26 WeakPolarHBondContact OD2-CB 3.44Å; D3-N26 PolarHBondContact OD2-ND2 3.2Å |
| 4 | C | 89.9 | Confident | 81.6 | Confident | 60 Ų | 60 | 86.7 Ų | 86.7 | 41% | 0.405 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 146 | 177.9 | -65 | 0 | 0 | 0 | 0 | 112.8 | F6 L22 C23 | C4-F6 HydrophobicContact CB-CD2 4.05Å; C4-F6 HydrophobicContact CB-CE2 3.25Å; C4-F6 HydrophobicContact CB-CZ 3.66Å; C4-L22 CarbonylContact C-O 3.41Å; C4-L22 WeakPolarHBondContact CA-O 3.2Å; C4-C23 HydrophobicContact CB-CB 4.2Å; C4-C23 WeakPolarHBondContact CB-SG 3.32Å; C4-C23 WeakPolarHBondContact SG-CB 3.22Å; C4-C23 CovalentContact SG-SG 2.05Å; C4-C23 PolarHBondContact SG-SG 3.32Å |
| 5 | Q | 89.7 | Confident | 80.8 | Confident | 25 Ų | 25 | 85.9 Ų | 85.9 | 12% | 0.117 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 132.1 | 169.3 | -59.2 | 179.8 | 18.7 | 0 | 0 | 108.2 | A21 L22 W47 L57 Q58 | Q5-A21 CarbonylContact O-C 3.58Å; Q5-A21 WeakPolarHBondContact O-CA 3.06Å; Q5-L22 HydrophobicContact CB-CB 4.32Å; Q5-L22 PolarHBondContact N-O 2.95Å; Q5-L22 PolarHBondContact O-N 3.07Å; Q5-W47 HydrophobicContact CB-CH2 3.94Å; Q5-W47 HydrophobicContact CB-CZ3 3.83Å; Q5-W47 HydrophobicContact CG-CH2 3.65Å; Q5-W47 HydrophobicContact CG-CZ3 4.06Å; Q5-L57 HydrophobicContact CB-CD2 4.07Å; Q5-Q58 PolarHBondContact NE2-O 2.89Å; Q5-Q58 VanDerWaalsContact OE1-N 3.13Å |
| 6 | F | 87.7 | Confident | 80.4 | Confident | 114 Ų | 114 | 83.7 Ų | 83.7 | 50% | 0.5 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 138.3 | 178.6 | -61.3 | -81.2 | 0 | 0 | 0 | 110.1 | C4 A21 C23 W72 | C4-F6 HydrophobicContact CB-CD2 4.05Å; C4-F6 HydrophobicContact CB-CE2 3.25Å; C4-F6 HydrophobicContact CB-CZ 3.66Å; F6-A21 HydrophobicContact CD1-CB 3.8Å; F6-A21 HydrophobicContact CE1-CB 3.95Å; F6-C23 VanDerWaalsContact CZ-SG 3.59Å; F6-W72 HydrophobicContact CE1-CE3 4.18Å; F6-W72 AromaticContact CE1-CZ3 3.94Å; F6-W72 HydrophobicContact CE1-CZ3 3.94Å |
| 7 | A | 87.5 | Confident | 80.3 | Confident | 21 Ų | 21 | 84.2 Ų | 84.2 | 17% | 0.174 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 131.9 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108 | L19 A20 P55 | A7-L19 PolarHBondContact O-N 3.08Å; A7-A20 HydrophobicContact CB-CB 4.41Å; A7-A20 PolarHBondContact N-O 3.03Å; A7-A20 PolarHBondContact O-N 3.25Å; A7-A20 VanDerWaalsContact O-N 3.11Å; A7-P55 HydrophobicContact CB-CB 3.5Å; A7-P55 VanDerWaalsContact CB-CB 3.5Å; A7-P55 HydrophobicContact CB-CG 3.52Å |
| 8 | A | 84.1 | Confident | 80.6 | Confident | 54 Ų | 54 | 82.4 Ų | 82.4 | 45% | 0.446 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 147.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | R17 | A8-R17 CarbonylContact C-O 3.47Å; A8-R17 WeakPolarHBondContact CA-O 3.04Å; A8-R17 WeakPolarHBondContact CB-O 3.32Å |
| 9 | E | 80.4 | Confident | 81 | Confident | 60 Ų | 60 | 79.4 Ų | 79.4 | 28% | 0.28 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 112.9 | 167.8 | -178.8 | 179 | -163.5 | 0 | 0 | 107.5 | G16 R17 L19 S88 | E9-G16 CarbonylContact O-C 3.55Å; E9-G16 VanDerWaalsContact O-CA 3.25Å; E9-G16 WeakPolarHBondContact O-CA 3.36Å; E9-R17 PolarHBondContact N-O 2.04Å; E9-R17 PolarHBondContact O-N 3.25Å; E9-L19 HydrophobicContact CB-CD1 4.06Å; E9-L19 HydrophobicContact CB-CD2 3.97Å; E9-L19 HydrophobicContact CB-CG 4.03Å; E9-S88 PolarHBondContact OE2-OG 2.86Å |
| 10 | I | 76.5 | Confident | 81.5 | Confident | 133 Ų | 133 | 75.5 Ų | 75.5 | 68% | 0.682 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93 | 118.9 | 177.1 | -57.3 | 175.6 | 0 | 0 | 0 | 108.1 | ||
| 11 | T | 72.4 | Confident | 82.1 | Confident | 45 Ų | 45 | 71.9 Ų | 71.9 | 28% | 0.276 | 40% | 0.398 | S | S | . | . | trans | -79.5 | 163.8 | 174 | 72.8 | 0 | 0 | 0 | 0 | 111 | Y13 G14 S15 | T11-Y13 PolarHBondContact O-N 2.68Å; T11-G14 PolarHBondContact O-N 3.14Å; T11-S15 WeakPolarHBondContact CG2-O 3.42Å; T11-S15 PolarHBondContact N-O 3.19Å; T11-S15 PolarHBondContact OG1-O 3.1Å; T11-S15 PolarHBondContact OG1-OG 3.2Å | ||
| 12 | Q | 70.6 | Confident | 82.6 | Confident | 192 Ų | 192 | 65.7 Ų | 65.7 | 90% | 0.897 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -25 | 177.6 | -69.3 | -179.5 | -20.2 | 0 | 0 | 113.7 | G14 | Q12-G14 VanDerWaalsContact C-N 3.31Š|
| 13 | Y | 72.4 | Confident | 82.9 | Confident | 200 Ų | 200 | 62.2 Ų | 62.2 | 78% | 0.784 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | 7.1 | -179.7 | -57.6 | -73.3 | 0 | 0 | 0 | 113.6 | T11 S15 | T11-Y13 PolarHBondContact O-N 2.68Å; Y13-S15 PolarHBondContact O-N 3.15Å |
| 14 | G | 68.7 | Low | 83 | Confident | 58 Ų | 58 | 61.3 Ų | 61.3 | 60% | 0.598 | 34% | 0.34 | S | S | * | . | S | Bend | trans | 78.2 | -6.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | T11 Q12 G16 | T11-G14 PolarHBondContact O-N 3.14Å; Q12-G14 VanDerWaalsContact C-N 3.31Å; G14-G16 PolarHBondContact O-N 3.02Å |
| 15 | S | 69.5 | Low | 83 | Confident | 75 Ų | 75 | 64.5 Ų | 64.5 | 52% | 0.524 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 120.9 | 168.2 | 58.6 | 0 | 0 | 0 | 0 | 109.2 | T11 Y13 | T11-S15 WeakPolarHBondContact CG2-O 3.42Å; T11-S15 PolarHBondContact N-O 3.19Å; T11-S15 PolarHBondContact OG1-O 3.1Å; T11-S15 PolarHBondContact OG1-OG 3.2Å; Y13-S15 PolarHBondContact O-N 3.15Å |
| 16 | G | 74.8 | Confident | 82.6 | Confident | 50 Ų | 50 | 64.7 Ų | 64.7 | 52% | 0.515 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 131.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111 | E9 G14 | E9-G16 CarbonylContact O-C 3.55Å; E9-G16 VanDerWaalsContact O-CA 3.25Å; E9-G16 WeakPolarHBondContact O-CA 3.36Å; G14-G16 PolarHBondContact O-N 3.02Å |
| 17 | R | 79 | Confident | 82 | Confident | 92 Ų | 92 | 63.6 Ų | 63.6 | 35% | 0.347 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 126.4 | 167.7 | 179.8 | -179.4 | 173.7 | 170.7 | 9.4 | 109.4 | A8 E9 L19 S88 | A8-R17 CarbonylContact C-O 3.47Å; A8-R17 WeakPolarHBondContact CA-O 3.04Å; A8-R17 WeakPolarHBondContact CB-O 3.32Å; E9-R17 PolarHBondContact N-O 2.04Å; E9-R17 PolarHBondContact O-N 3.25Å; R17-L19 PolarHBondContact O-N 3.43Å; R17-S88 VanDerWaalsContact CD-OG 3.3Å; R17-S88 WeakPolarHBondContact CD-OG 3.37Å; R17-S88 PolarHBondContact NH1-O 3.42Å; R17-S88 PolarHBondContact NH1-OG 3.36Å |
| 18 | V | 84.4 | Confident | 81 | Confident | 52 Ų | 52 | 67.2 Ų | 67.2 | 32% | 0.315 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 125.9 | 172.9 | 179.7 | 0 | 0 | 0 | 0 | 109.1 | A21 | V18-A21 HydrophobicContact CG1-CB 3.96Å |
| 19 | L | 88.4 | Confident | 79.5 | Confident | 26 Ų | 26 | 70 Ų | 70 | 14% | 0.136 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | -36.3 | 174.6 | -62.1 | -174.1 | 0 | 0 | 0 | 111.6 | A7 E9 R17 P55 T75 A76 F81 | A7-L19 PolarHBondContact O-N 3.08Å; E9-L19 HydrophobicContact CB-CD1 4.06Å; E9-L19 HydrophobicContact CB-CD2 3.97Å; E9-L19 HydrophobicContact CB-CG 4.03Å; R17-L19 PolarHBondContact O-N 3.43Å; L19-P55 HydrophobicContact CB-CG 4.08Å; L19-P55 HydrophobicContact CD1-CG 4.45Å; L19-T75 CarbonylContact O-C 3.46Å; L19-A76 WeakPolarHBondContact O-CA 3.12Å; L19-A76 PolarHBondContact O-N 2.89Å; L19-A76 VanDerWaalsContact O-N 3.15Å; L19-F81 HydrophobicContact CD1-CZ 3.87Å; L19-F81 HydrophobicContact CD2-CE1 4.43Å; L19-F81 HydrophobicContact CD2-CE2 4.43Å; L19-F81 HydrophobicContact CD2-CZ 3.6Å; L19-F81 HydrophobicContact CG-CZ 4.3Å |
| 20 | A | 91.4 | Very high | 78 | Confident | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 141.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | A7 P55 L57 E74 | A7-A20 HydrophobicContact CB-CB 4.41Å; A7-A20 PolarHBondContact N-O 3.03Å; A7-A20 PolarHBondContact O-N 3.25Å; A7-A20 VanDerWaalsContact O-N 3.11Å; A20-P55 HydrophobicContact CB-CG 4.15Å; A20-L57 HydrophobicContact CB-CD1 4.07Å; A20-L57 HydrophobicContact CB-CD2 3.95Å; A20-L57 HydrophobicContact CB-CG 3.89Å; A20-E74 CarbonylContact C-O 3.59Å; A20-E74 WeakPolarHBondContact CA-O 3.04Å |
| 21 | A | 93.5 | Very high | 76.6 | Confident | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 135.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q5 F6 V18 W72 Y73 E74 | Q5-A21 CarbonylContact O-C 3.58Å; Q5-A21 WeakPolarHBondContact O-CA 3.06Å; F6-A21 HydrophobicContact CD1-CB 3.8Å; F6-A21 HydrophobicContact CE1-CB 3.95Å; V18-A21 HydrophobicContact CG1-CB 3.96Å; A21-W72 HydrophobicContact CB-CD2 3.93Å; A21-W72 HydrophobicContact CB-CE3 4.36Å; A21-W72 HydrophobicContact CB-CG 4.3Å; A21-W72 HydrophobicContact CB-CZ2 4.12Å; A21-Y73 CarbonylContact O-C 3.57Å; A21-Y73 WeakPolarHBondContact O-CA 3.31Å; A21-E74 HydrophobicContact CB-CB 4.43Å; A21-E74 PolarHBondContact N-O 2.85Å; A21-E74 PolarHBondContact O-N 3.17Å; A21-E74 VanDerWaalsContact O-O 3.13Å |
| 22 | L | 94.4 | Very high | 75.2 | Confident | 0 Ų | 0 | 82.3 Ų | 82.3 | 0% | 0 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 120.1 | 171.3 | 167.8 | 65.8 | 0 | 0 | 0 | 107.5 | C4 Q5 Y24 L57 L59 L70 W72 Y73 | C4-L22 CarbonylContact C-O 3.41Å; C4-L22 WeakPolarHBondContact CA-O 3.2Å; Q5-L22 HydrophobicContact CB-CB 4.32Å; Q5-L22 PolarHBondContact N-O 2.95Å; Q5-L22 PolarHBondContact O-N 3.07Å; L22-Y24 HydrophobicContact CD1-CD1 4.05Å; L22-Y24 HydrophobicContact CD2-CD1 4.18Å; L22-Y24 HydrophobicContact CD2-CE1 4.04Å; L22-Y24 HydrophobicContact CG-CD1 3.85Å; L22-Y24 HydrophobicContact CG-CE1 4.14Å; L22-L57 HydrophobicContact CB-CD1 3.91Å; L22-L57 HydrophobicContact CB-CD2 4.05Å; L22-L57 HydrophobicContact CB-CG 4.43Å; L22-L59 HydrophobicContact CD2-CG 4.17Å; L22-L70 HydrophobicContact CD1-CD1 3.96Å; L22-L70 HydrophobicContact CD1-CD2 3.85Å; L22-L70 HydrophobicContact CD1-CG 4.46Å; L22-W72 CarbonylContact C-O 3.54Å; L22-W72 WeakPolarHBondContact CA-O 3.33Å; L22-Y73 HydrophobicContact CD1-CD2 4Å |
| 23 | C | 95.3 | Very high | 73.9 | Confident | 11 Ų | 11 | 81.4 Ų | 81.4 | 7% | 0.074 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 135.8 | 170 | -71.4 | 0 | 0 | 0 | 0 | 110 | V2 D3 C4 F6 L71 W72 | V2-C23 HydrophobicContact CG1-CB 4.48Å; D3-C23 WeakPolarHBondContact O-CA 3.24Å; C4-C23 HydrophobicContact CB-CB 4.2Å; C4-C23 WeakPolarHBondContact CB-SG 3.32Å; C4-C23 WeakPolarHBondContact SG-CB 3.22Å; C4-C23 CovalentContact SG-SG 2.05Å; C4-C23 PolarHBondContact SG-SG 3.32Å; F6-C23 VanDerWaalsContact CZ-SG 3.59Å; C23-L71 HydrophobicContact CB-CB 4.13Å; C23-L71 WeakPolarHBondContact O-CA 3.49Å; C23-L71 WeakPolarHBondContact O-CB 3.35Å; C23-L71 PolarHBondContact O-N 3.15Å; C23-W72 HydrophobicContact CB-CB 3.98Å; C23-W72 PolarHBondContact N-O 2.79Å; C23-W72 PolarHBondContact O-N 2.93Å; C23-W72 VanDerWaalsContact O-N 3.14Å |
| 24 | Y | 92.8 | Very high | 72.5 | Confident | 19 Ų | 19 | 76.3 Ų | 76.3 | 8% | 0.075 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 157.4 | -179.9 | 60.1 | -88.8 | 0 | 0 | 0 | 111.7 | V2 D3 L22 N26 Y62 L63 | V2-Y24 WeakPolarHBondContact CA-O 3.37Å; D3-Y24 HydrophobicContact CB-CD2 4.44Å; D3-Y24 HydrophobicContact CB-CE1 4.11Å; D3-Y24 HydrophobicContact CB-CE2 3.84Å; D3-Y24 PolarHBondContact N-O 3.25Å; D3-Y24 PolarHBondContact O-N 2.57Å; L22-Y24 HydrophobicContact CD1-CD1 4.05Å; L22-Y24 HydrophobicContact CD2-CD1 4.18Å; L22-Y24 HydrophobicContact CD2-CE1 4.04Å; L22-Y24 HydrophobicContact CG-CD1 3.85Å; L22-Y24 HydrophobicContact CG-CE1 4.14Å; Y24-N26 HydrophobicContact CE2-CB 4.18Å; Y24-N26 PolarHBondContact O-N 2.75Å; Y24-Y62 WeakPolarHBondContact CD2-OH 3.16Å; Y24-Y62 VanDerWaalsContact CE2-OH 3.29Å; Y24-Y62 WeakPolarHBondContact CE2-OH 3.1Å; Y24-L63 HydrophobicContact CD1-CD1 3.26Å; Y24-L63 HydrophobicContact CD2-CD1 3.55Å; Y24-L63 HydrophobicContact CD2-CD2 4.45Å; Y24-L63 HydrophobicContact CE1-CD1 3.55Å; Y24-L63 HydrophobicContact CE2-CD1 3.83Å; Y24-L63 HydrophobicContact CG-CD1 3.26Å; Y24-L63 HydrophobicContact CG-CD2 4.38Å; Y24-L63 HydrophobicContact CG-CG 4.44Å |
| 25 | Q | 90.3 | Very high | 71.3 | Confident | 128 Ų | 128 | 84.9 Ų | 84.9 | 60% | 0.598 | 44% | 0.435 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 118.9 | 171.1 | -170.7 | 163.4 | -2.5 | 0 | 0 | 109 | P27 | Q25-P27 WeakPolarHBondContact O-CD 3.35Å |
| 26 | N | 81.5 | Confident | 70.1 | Confident | 28 Ų | 28 | 88.1 Ų | 88.1 | 15% | 0.15 | 44% | 0.442 | C | S | . | . | trans | -82.2 | 116.3 | 175.8 | -172.9 | -10 | 0 | 0 | 0 | 109 | M1 D3 Y24 I28 | M1-N26 PolarHBondContact O-N 2.92Å; D3-N26 WeakPolarHBondContact OD2-CB 3.44Å; D3-N26 PolarHBondContact OD2-ND2 3.2Å; Y24-N26 HydrophobicContact CE2-CB 4.18Å; Y24-N26 PolarHBondContact O-N 2.75Å; N26-I28 VanDerWaalsContact C-N 3.29Å; N26-I28 WeakPolarHBondContact OD1-CB 3.27Å; N26-I28 PolarHBondContact OD1-N 3.45Å; N26-I28 PolarHBondContact OD1-O 3.29Å | ||
| 27 | P | 74.2 | Confident | 68.6 | Low | 91 Ų | 91 | 95 Ų | 95 | 59% | 0.591 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -76 | -20.3 | 179.3 | 31.7 | -34.5 | 0 | 0 | 0 | 112.2 | Q25 T29 | Q25-P27 WeakPolarHBondContact O-CD 3.35Å; P27-T29 PolarHBondContact O-N 3.31Å; P27-T29 VanDerWaalsContact O-N 3.09Å |
| 28 | I | 66.3 | Low | 67 | Low | 97 Ų | 97 | 93.9 Ų | 93.9 | 50% | 0.497 | 46% | 0.461 | S | S | . | . | trans | -82.8 | 90.2 | 177.8 | -54.1 | 170.8 | 0 | 0 | 0 | 106.5 | N26 D30 T31 | N26-I28 VanDerWaalsContact C-N 3.29Å; N26-I28 WeakPolarHBondContact OD1-CB 3.27Å; N26-I28 PolarHBondContact OD1-N 3.45Å; N26-I28 PolarHBondContact OD1-O 3.29Å; I28-D30 PolarHBondContact O-N 2.94Å; I28-T31 WeakPolarHBondContact CG2-OG1 3.39Å | ||
| 29 | T | 53.8 | Low | 65 | Low | 112 Ų | 112 | 101.3 Ų | 101.3 | 69% | 0.687 | 48% | 0.483 | S | S | * | . | trans | -69.1 | -16.6 | 175.4 | 39.9 | 0 | 0 | 0 | 0 | 112.9 | P27 | P27-T29 PolarHBondContact O-N 3.31Å; P27-T29 VanDerWaalsContact O-N 3.09Å | ||
| 30 | D | 48.5 | Very low | 63.1 | Low | 143 Ų | 143 | 102.5 Ų | 102.5 | 77% | 0.765 | 50% | 0.502 | S | S | * | . | trans | -136.7 | 29.9 | -149.8 | -127.1 | 4.2 | 0 | 0 | 0 | 117 | I28 | I28-D30 PolarHBondContact O-N 2.94Š| ||
| 31 | T | 45.8 | Very low | 61.1 | Low | 91 Ų | 91 | 105.2 Ų | 105.2 | 56% | 0.558 | 53% | 0.53 | S | S | * | . | trans | -119.5 | 111.9 | 161 | 43.2 | 0 | 0 | 0 | 0 | 109.2 | I28 K33 | I28-T31 WeakPolarHBondContact CG2-OG1 3.39Å; T31-K33 PolarHBondContact O-N 3.26Å | ||
| 32 | W | 43.3 | Very low | 59.1 | Low | 263 Ų | 263 | 110.5 Ų | 110.5 | 100% | 0.996 | 55% | 0.554 | S | S | * | * | trans | -54 | 69.3 | 151.2 | -78.8 | -63.3 | 0 | 0 | 0 | 109 | S34 | W32-S34 PolarHBondContact O-N 3.38Š| ||
| 33 | K | 44.4 | Very low | 57 | Low | 174 Ų | 174 | 113.4 Ų | 113.4 | 76% | 0.757 | 57% | 0.569 | S | S | * | * | trans | -65.2 | 105.3 | 151.8 | -77.7 | -169.7 | 175.9 | -178.2 | 0 | 103.4 | T31 R35 | T31-K33 PolarHBondContact O-N 3.26Å; K33-R35 PolarHBondContact O-N 3.11Å | ||
| 34 | S | 41.7 | Very low | 55.3 | Low | 93 Ų | 93 | 117.3 Ų | 117.3 | 65% | 0.65 | 60% | 0.595 | S | S | * | * | trans | -31 | 114.3 | 161.2 | 45.6 | 0 | 0 | 0 | 0 | 106.5 | W32 E36 | W32-S34 PolarHBondContact O-N 3.38Å; S34-E36 PolarHBondContact O-N 2.95Å | ||
| 35 | R | 45 | Very low | 53.8 | Low | 238 Ų | 238 | 125 Ų | 125 | 90% | 0.898 | 63% | 0.629 | S | S | * | * | trans | -62.8 | 83.3 | 157.1 | -74.3 | -177.3 | -177.9 | -160.8 | 0.7 | 103.1 | K33 Q37 | K33-R35 PolarHBondContact O-N 3.11Å; R35-Q37 PolarHBondContact O-N 3.12Å | ||
| 36 | E | 44.4 | Very low | 52.8 | Low | 143 Ų | 143 | 124.5 Ų | 124.5 | 67% | 0.668 | 63% | 0.625 | S | S | * | * | trans | -46.6 | 123.2 | 160.9 | -81 | -178 | 164.6 | 0 | 0 | 103.8 | S34 I38 | S34-E36 PolarHBondContact O-N 2.95Å; E36-I38 HydrophobicContact CB-CD1 4.3Å; E36-I38 HydrophobicContact CB-CG1 3.74Å; E36-I38 WeakPolarHBondContact O-CG1 3.06Å; E36-I38 PolarHBondContact O-N 2.92Å | ||
| 37 | Q | 42.3 | Very low | 52.8 | Low | 195 Ų | 195 | 125.7 Ų | 125.7 | 91% | 0.911 | 63% | 0.627 | S | S | * | * | trans | -72.2 | 66.9 | 179 | -153.8 | 177.3 | 23 | 0 | 0 | 105.9 | R35 R39 | R35-Q37 PolarHBondContact O-N 3.12Å; Q37-R39 PolarHBondContact O-N 2.92Å; Q37-R39 VanDerWaalsContact O-N 3.16Å | ||
| 38 | I | 45 | Very low | 53.5 | Low | 68 Ų | 68 | 122.5 Ų | 122.5 | 35% | 0.349 | 61% | 0.608 | S | S | . | * | trans | -67.4 | 117.9 | -176.4 | -59.4 | 171.3 | 0 | 0 | 0 | 105 | E36 G40 E42 M43 | E36-I38 HydrophobicContact CB-CD1 4.3Å; E36-I38 HydrophobicContact CB-CG1 3.74Å; E36-I38 WeakPolarHBondContact O-CG1 3.06Å; E36-I38 PolarHBondContact O-N 2.92Å; I38-G40 PolarHBondContact O-N 2.76Å; I38-E42 HydrophobicContact CG2-CB 4.17Å; I38-M43 HydrophobicContact CB-CG 4.24Å; I38-M43 HydrophobicContact CB-SD 4.27Å; I38-M43 HydrophobicContact CD1-SD 4.38Å; I38-M43 HydrophobicContact CG2-CG 3.78Å; I38-M43 HydrophobicContact CG2-SD 4.11Å | ||
| 39 | R | 43.4 | Very low | 54.8 | Low | 208 Ų | 208 | 117.9 Ų | 117.9 | 79% | 0.785 | 58% | 0.584 | S | S | * | * | trans | -54.3 | 129.1 | 179.7 | -69.5 | -176.9 | -178.2 | -173.4 | 1.2 | 108.8 | Q37 G41 E42 | Q37-R39 PolarHBondContact O-N 2.92Å; Q37-R39 VanDerWaalsContact O-N 3.16Å; R39-G41 PolarHBondContact O-N 2.91Å; R39-E42 PolarHBondContact O-N 3.36Å | ||
| 40 | G | 48.5 | Very low | 56.5 | Low | 51 Ų | 51 | 114.2 Ų | 114.2 | 53% | 0.526 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -50.8 | -32.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | I38 E42 M43 C44 | I38-G40 PolarHBondContact O-N 2.76Å; G40-E42 VanDerWaalsContact C-N 3.35Å; G40-E42 PolarHBondContact O-N 3.03Å; G40-M43 WeakPolarHBondContact O-CB 3.33Å; G40-M43 PolarHBondContact O-N 2.78Å; G40-C44 PolarHBondContact O-N 3.48Å; G40-C44 PolarHBondContact O-SG 2.99Å; G40-C44 VanDerWaalsContact O-SG 3.4Å |
| 41 | G | 48.5 | Very low | 58.4 | Low | 57 Ų | 57 | 110.9 Ų | 110.9 | 59% | 0.588 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -64.6 | -30.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | R39 | R39-G41 PolarHBondContact O-N 2.91Å |
| 42 | E | 52.5 | Low | 60.4 | Low | 110 Ų | 110 | 108.1 Ų | 108.1 | 51% | 0.514 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -75.7 | -31.9 | 174.4 | -70.5 | -171.7 | 171.9 | 0 | 0 | 112.1 | I38 R39 G40 K46 | I38-E42 HydrophobicContact CG2-CB 4.17Å; R39-E42 PolarHBondContact O-N 3.36Å; G40-E42 VanDerWaalsContact C-N 3.35Å; G40-E42 PolarHBondContact O-N 3.03Å; E42-K46 PolarHBondContact O-N 3.27Å |
| 43 | M | 49.9 | Very low | 62.5 | Low | 62 Ų | 62 | 104.8 Ų | 104.8 | 31% | 0.305 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.7 | -48.5 | 176.1 | -67.3 | -90.7 | -76.9 | 0 | 0 | 110.3 | I38 G40 K45 K46 W47 | I38-M43 HydrophobicContact CB-CG 4.24Å; I38-M43 HydrophobicContact CB-SD 4.27Å; I38-M43 HydrophobicContact CD1-SD 4.38Å; I38-M43 HydrophobicContact CG2-CG 3.78Å; I38-M43 HydrophobicContact CG2-SD 4.11Å; G40-M43 WeakPolarHBondContact O-CB 3.33Å; G40-M43 PolarHBondContact O-N 2.78Å; M43-K45 VanDerWaalsContact C-N 3.32Å; M43-K45 PolarHBondContact O-N 3.15Å; M43-K46 PolarHBondContact O-N 2.79Å; M43-W47 HydrophobicContact CE-CH2 3.86Å; M43-W47 HydrophobicContact CE-CZ2 3.42Å; M43-W47 VanDerWaalsContact CE-CZ2 3.42Å; M43-W47 VanDerWaalsContact O-CB 3.25Å; M43-W47 WeakPolarHBondContact O-CB 3.25Å; M43-W47 VanDerWaalsContact O-CG 3.23Å; M43-W47 PolarHBondContact O-N 2.94Å; M43-W47 HydrophobicContact SD-CZ2 4.16Å |
| 44 | C | 59.4 | Low | 64.6 | Low | 93 Ų | 93 | 97.4 Ų | 97.4 | 63% | 0.628 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -57 | -42.9 | -178.4 | -62.1 | 0 | 0 | 0 | 0 | 112.7 | G40 W47 A48 | G40-C44 PolarHBondContact O-N 3.48Å; G40-C44 PolarHBondContact O-SG 2.99Å; G40-C44 VanDerWaalsContact O-SG 3.4Å; C44-W47 CarbonylContact O-C 3.51Å; C44-W47 PolarHBondContact O-N 3.02Å; C44-A48 PolarHBondContact O-N 3.05Å |
| 45 | K | 61.5 | Low | 67 | Low | 180 Ų | 180 | 93.9 Ų | 93.9 | 78% | 0.783 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -69.1 | -39.8 | 179 | -69.9 | -174.9 | -179 | 178.9 | 0 | 112.8 | M43 W47 A48 | M43-K45 VanDerWaalsContact C-N 3.32Å; M43-K45 PolarHBondContact O-N 3.15Å; K45-W47 PolarHBondContact O-N 3.42Å; K45-A48 PolarHBondContact O-N 3.32Å |
| 46 | K | 69 | Low | 69.3 | Low | 117 Ų | 117 | 83.5 Ų | 83.5 | 51% | 0.509 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -68.7 | -27.8 | 177 | -74.9 | 178.5 | -178.8 | 170.1 | 0 | 111.7 | E42 M43 | E42-K46 PolarHBondContact O-N 3.27Å; M43-K46 PolarHBondContact O-N 2.79Å |
| 47 | W | 81.6 | Confident | 71.6 | Confident | 54 Ų | 54 | 76.9 Ų | 76.9 | 21% | 0.205 | 42% | 0.415 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | 18.3 | -177 | -66 | 28.5 | 0 | 0 | 0 | 111.7 | Q5 M43 C44 K45 P55 Q56 Q58 | Q5-W47 HydrophobicContact CB-CH2 3.94Å; Q5-W47 HydrophobicContact CB-CZ3 3.83Å; Q5-W47 HydrophobicContact CG-CH2 3.65Å; Q5-W47 HydrophobicContact CG-CZ3 4.06Å; M43-W47 HydrophobicContact CE-CH2 3.86Å; M43-W47 HydrophobicContact CE-CZ2 3.42Å; M43-W47 VanDerWaalsContact CE-CZ2 3.42Å; M43-W47 VanDerWaalsContact O-CB 3.25Å; M43-W47 WeakPolarHBondContact O-CB 3.25Å; M43-W47 VanDerWaalsContact O-CG 3.23Å; M43-W47 PolarHBondContact O-N 2.94Å; M43-W47 HydrophobicContact SD-CZ2 4.16Å; C44-W47 CarbonylContact O-C 3.51Å; C44-W47 PolarHBondContact O-N 3.02Å; K45-W47 PolarHBondContact O-N 3.42Å; W47-P55 CarbonylContact O-C 3.58Å; W47-P55 WeakPolarHBondContact O-CA 3.45Å; W47-Q56 PolarHBondContact O-N 2.93Å; W47-Q58 HydrophobicContact CD2-CG 4.19Å; W47-Q58 HydrophobicContact CG-CG 3.94Å |
| 48 | A | 89.7 | Confident | 73.9 | Confident | 23 Ų | 23 | 71.5 Ų | 71.5 | 19% | 0.19 | 39% | 0.39 | C | S | . | . | B | Isolated β-bridge | trans | -98.1 | 140.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | C44 K45 T52 L54 | C44-A48 PolarHBondContact O-N 3.05Å; K45-A48 PolarHBondContact O-N 3.32Å; A48-T52 WeakPolarHBondContact CB-O 3.32Å; A48-L54 CarbonylContact C-O 3.59Å; A48-L54 VanDerWaalsContact CA-O 3.32Å; A48-L54 WeakPolarHBondContact CA-O 3.49Å |
| 49 | Y | 92.4 | Very high | 76.1 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 38% | 0.378 | C | S | . | . | trans | -61.4 | 136.1 | 168.6 | -177 | -102.7 | 0 | 0 | 0 | 109.4 | G51 T52 L54 L78 F106 G110 K111 Q196 T198 | Y49-G51 PolarHBondContact O-N 3.39Å; Y49-T52 HydrophobicContact CD1-CG2 3.96Å; Y49-T52 PolarHBondContact O-N 2.97Å; Y49-T52 PolarHBondContact O-OG1 3.09Å; Y49-T52 VanDerWaalsContact O-OG1 3.1Å; Y49-L54 PolarHBondContact N-O 3.34Å; Y49-L78 HydrophobicContact CE1-CD1 4.39Å; Y49-F106 HydrophobicContact CD1-CD1 4.38Å; Y49-F106 AromaticContact CD1-CE1 4Å; Y49-F106 HydrophobicContact CD1-CE1 4Å; Y49-F106 HydrophobicContact CD1-CZ 4.21Å; Y49-F106 HydrophobicContact CD2-CB 4.03Å; Y49-F106 AromaticContact CD2-CD1 3.54Å; Y49-F106 HydrophobicContact CD2-CD1 3.54Å; Y49-F106 HydrophobicContact CD2-CD2 4.14Å; Y49-F106 AromaticContact CD2-CE1 3.99Å; Y49-F106 HydrophobicContact CD2-CE1 3.99Å; Y49-F106 AromaticContact CD2-CG 3.62Å; Y49-F106 HydrophobicContact CD2-CG 3.62Å; Y49-F106 HydrophobicContact CD2-CZ 4.46Å; Y49-F106 HydrophobicContact CE1-CE1 4.38Å; Y49-F106 AromaticContact CE2-CD1 3.87Å; Y49-F106 HydrophobicContact CE2-CD1 3.87Å; Y49-F106 HydrophobicContact CE2-CE1 4.38Å; Y49-F106 HydrophobicContact CE2-CG 4.3Å; Y49-F106 AromaticContact CG-CD1 3.83Å; Y49-F106 HydrophobicContact CG-CD1 3.83Å; Y49-F106 HydrophobicContact CG-CD2 4.12Å; Y49-F106 AromaticContact CG-CE1 3.79Å; Y49-F106 HydrophobicContact CG-CE1 3.79Å; Y49-F106 HydrophobicContact CG-CE2 4.08Å; Y49-F106 AromaticContact CG-CG 3.99Å; Y49-F106 HydrophobicContact CG-CG 3.99Å; Y49-F106 AromaticContact CG-CZ 3.91Å; Y49-F106 HydrophobicContact CG-CZ 3.91Å; Y49-G110 WeakPolarHBondContact OH-CA 3.4Å; Y49-K111 HydrophobicContact CE1-CB 4.23Å; Y49-K111 HydrophobicContact CE1-CD 4.39Å; Y49-K111 HydrophobicContact CE1-CG 4.02Å; Y49-K111 PolarHBondContact OH-N 3.49Å; Y49-Q196 PolarHBondContact OH-O 2.92Å; Y49-T198 HydrophobicContact CE2-CG2 3.84Å | ||
| 50 | P | 89.6 | Confident | 78.2 | Confident | 36 Ų | 36 | 61 Ų | 61 | 23% | 0.234 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | 116 | -165.9 | -32 | 36.5 | 0 | 0 | 0 | 115.4 | K111 R195 Q196 | P50-K111 WeakPolarHBondContact O-CD 3.3Å; P50-K111 VanDerWaalsContact O-CE 3.26Å; P50-K111 WeakPolarHBondContact O-CE 3.31Å; P50-K111 PolarHBondContact O-NZ 2.99Å; P50-R195 HydrophobicContact CG-CB 3.77Å; P50-Q196 HydrophobicContact CB-CG 4.46Å; P50-Q196 HydrophobicContact CG-CG 4.49Å |
| 51 | G | 87.9 | Confident | 80.1 | Confident | 72 Ų | 72 | 64.6 Ų | 64.6 | 74% | 0.742 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.7 | 30.8 | 179 | 0 | 0 | 0 | 0 | 0 | 114 | Y49 K111 | Y49-G51 PolarHBondContact O-N 3.39Å; G51-K111 VanDerWaalsContact CA-NZ 3.27Å; G51-K111 PolarHBondContact O-NZ 3.29Å |
| 52 | T | 89 | Confident | 82 | Confident | 33 Ų | 33 | 66 Ų | 66 | 20% | 0.202 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -134.2 | 174.2 | 167.4 | 79 | 0 | 0 | 0 | 0 | 108.3 | A48 Y49 L54 L78 | A48-T52 WeakPolarHBondContact CB-O 3.32Å; Y49-T52 HydrophobicContact CD1-CG2 3.96Å; Y49-T52 PolarHBondContact O-N 2.97Å; Y49-T52 PolarHBondContact O-OG1 3.09Å; Y49-T52 VanDerWaalsContact O-OG1 3.1Å; T52-L54 PolarHBondContact OG1-N 3.27Å; T52-L78 HydrophobicContact CG2-CD2 3.9Å |
| 53 | E | 86.1 | Confident | 84 | Confident | 193 Ų | 193 | 60.9 Ų | 60.9 | 90% | 0.902 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -98.7 | 2.2 | 171.8 | -61.9 | -175.7 | 167.2 | 0 | 0 | 112.3 | ||
| 54 | L | 89.6 | Confident | 86.1 | Confident | 20 Ų | 20 | 60.6 Ų | 60.6 | 11% | 0.105 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -79.4 | 140.6 | -175.9 | -64.8 | -175.7 | 0 | 0 | 0 | 111.5 | A48 Y49 T52 Q56 N77 L78 F81 F106 | A48-L54 CarbonylContact C-O 3.59Å; A48-L54 VanDerWaalsContact CA-O 3.32Å; A48-L54 WeakPolarHBondContact CA-O 3.49Å; Y49-L54 PolarHBondContact N-O 3.34Å; T52-L54 PolarHBondContact OG1-N 3.27Å; L54-Q56 PolarHBondContact O-N 3.4Å; L54-N77 WeakPolarHBondContact CD1-O 3.46Å; L54-L78 HydrophobicContact CD1-CD2 3.54Å; L54-L78 HydrophobicContact CD1-CG 4.28Å; L54-L78 HydrophobicContact CG-CD2 4.46Å; L54-F81 HydrophobicContact CD1-CD2 3.56Å; L54-F81 HydrophobicContact CD1-CE2 3.93Å; L54-F81 HydrophobicContact CD1-CG 4.15Å; L54-F81 HydrophobicContact CD2-CD1 4.04Å; L54-F81 HydrophobicContact CD2-CD2 3.68Å; L54-F81 HydrophobicContact CD2-CE1 3.83Å; L54-F81 HydrophobicContact CD2-CE2 3.47Å; L54-F81 VanDerWaalsContact CD2-CE2 3.47Å; L54-F81 HydrophobicContact CD2-CG 3.95Å; L54-F81 HydrophobicContact CD2-CZ 3.52Å; L54-F81 HydrophobicContact CG-CD2 4.29Å; L54-F81 HydrophobicContact CG-CE2 4.36Å; L54-F106 HydrophobicContact CB-CE2 3.79Å; L54-F106 HydrophobicContact CB-CZ 4.07Å; L54-F106 HydrophobicContact CD1-CZ 4.08Å |
| 55 | P | 91.4 | Very high | 87.7 | Confident | 18 Ų | 18 | 57.9 Ų | 57.9 | 12% | 0.117 | 30% | 0.298 | C | S | . | . | B | Isolated β-bridge | trans | -72.4 | 125.1 | -174.5 | 29 | -34.9 | 0 | 0 | 0 | 112.2 | A7 L19 A20 W47 A76 F106 | A7-P55 HydrophobicContact CB-CB 3.5Å; A7-P55 VanDerWaalsContact CB-CB 3.5Å; A7-P55 HydrophobicContact CB-CG 3.52Å; L19-P55 HydrophobicContact CB-CG 4.08Å; L19-P55 HydrophobicContact CD1-CG 4.45Å; A20-P55 HydrophobicContact CB-CG 4.15Å; W47-P55 CarbonylContact O-C 3.58Å; W47-P55 WeakPolarHBondContact O-CA 3.45Å; P55-A76 HydrophobicContact CG-CB 3.86Å; P55-A76 WeakPolarHBondContact O-CB 3.48Å; P55-F106 WeakPolarHBondContact O-CD2 3.32Å |
| 56 | Q | 93.8 | Very high | 89.1 | Confident | 21 Ų | 21 | 52.8 Ų | 52.8 | 10% | 0.098 | 28% | 0.279 | C | S | . | . | trans | -102.8 | 112.8 | 162.2 | 178.5 | 167.3 | 32.8 | 0 | 0 | 109.5 | W47 L54 Q58 T104 G105 F106 | W47-Q56 PolarHBondContact O-N 2.93Å; L54-Q56 PolarHBondContact O-N 3.4Å; Q56-Q58 PolarHBondContact O-NE2 3.34Å; Q56-Q58 VanDerWaalsContact O-NE2 3.08Å; Q56-T104 PolarHBondContact NE2-O 3.35Å; Q56-G105 WeakPolarHBondContact CA-O 3.22Å; Q56-F106 HydrophobicContact CB-CB 4.34Å; Q56-F106 HydrophobicContact CB-CD2 4.15Å; Q56-F106 HydrophobicContact CG-CB 4.06Å | ||
| 57 | L | 93.6 | Very high | 90.2 | Very high | 4 Ų | 4 | 53.1 Ų | 53.1 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | trans | -58.9 | 140.5 | -179.4 | -66.5 | 165.7 | 0 | 0 | 0 | 111.1 | Q5 A20 L22 L59 Y73 E74 T75 G105 | Q5-L57 HydrophobicContact CB-CD2 4.07Å; A20-L57 HydrophobicContact CB-CD1 4.07Å; A20-L57 HydrophobicContact CB-CD2 3.95Å; A20-L57 HydrophobicContact CB-CG 3.89Å; L22-L57 HydrophobicContact CB-CD1 3.91Å; L22-L57 HydrophobicContact CB-CD2 4.05Å; L22-L57 HydrophobicContact CB-CG 4.43Å; L57-L59 HydrophobicContact CB-CD1 4.39Å; L57-L59 PolarHBondContact O-N 3.47Å; L57-Y73 HydrophobicContact CD1-CD2 4.24Å; L57-Y73 HydrophobicContact CD1-CE2 4.02Å; L57-E74 VanDerWaalsContact CD1-O 3.29Å; L57-E74 WeakPolarHBondContact CD1-O 3.4Å; L57-T75 HydrophobicContact CD1-CG2 4.05Å; L57-G105 PolarHBondContact N-O 2.93Å | ||
| 58 | Q | 89.5 | Confident | 90.7 | Very high | 82 Ų | 82 | 52.3 Ų | 52.3 | 38% | 0.383 | 29% | 0.288 | S | S | . | . | trans | -95.5 | 97 | 179.4 | -63.4 | -57.7 | -59.9 | 0 | 0 | 109.7 | Q5 W47 Q56 P60 | Q5-Q58 PolarHBondContact NE2-O 2.89Å; Q5-Q58 VanDerWaalsContact OE1-N 3.13Å; W47-Q58 HydrophobicContact CD2-CG 4.19Å; W47-Q58 HydrophobicContact CG-CG 3.94Å; Q56-Q58 PolarHBondContact O-NE2 3.34Å; Q56-Q58 VanDerWaalsContact O-NE2 3.08Å; Q58-P60 WeakPolarHBondContact O-CD 3.48Å | ||
| 59 | L | 90.7 | Very high | 90.8 | Very high | 18 Ų | 18 | 58.2 Ų | 58.2 | 9% | 0.094 | 31% | 0.313 | C | S | . | . | trans | -82.6 | 126.6 | 178.1 | -64.8 | 95 | 0 | 0 | 0 | 111.1 | L22 L57 L63 K64 Y73 R103 G105 | L22-L59 HydrophobicContact CD2-CG 4.17Å; L57-L59 HydrophobicContact CB-CD1 4.39Å; L57-L59 PolarHBondContact O-N 3.47Å; L59-L63 HydrophobicContact CB-CB 4.38Å; L59-L63 HydrophobicContact CD2-CB 4.23Å; L59-K64 HydrophobicContact CB-CG 3.9Å; L59-Y73 HydrophobicContact CD1-CE2 4.33Å; L59-Y73 HydrophobicContact CD2-CE2 4.08Å; L59-R103 HydrophobicContact CD2-CB 3.67Å; L59-G105 VanDerWaalsContact CD1-CA 3.43Å; L59-G105 VanDerWaalsContact CD1-N 3.31Å | ||
| 60 | P | 89.1 | Confident | 90.9 | Very high | 38 Ų | 38 | 59.6 Ų | 59.6 | 25% | 0.247 | 32% | 0.32 | C | S | . | . | trans | -47.7 | 145.2 | 159 | -26.8 | 33.4 | 0 | 0 | 0 | 111.5 | Q58 Y62 L63 K64 | Q58-P60 WeakPolarHBondContact O-CD 3.48Å; P60-Y62 HydrophobicContact CB-CD1 3.66Å; P60-Y62 HydrophobicContact CB-CE1 3.37Å; P60-Y62 HydrophobicContact CG-CE1 4.12Å; P60-Y62 PolarHBondContact O-N 3.21Å; P60-L63 HydrophobicContact CB-CD1 4.45Å; P60-L63 HydrophobicContact CB-CG 4.31Å; P60-L63 HydrophobicContact CG-CD1 4.01Å; P60-L63 HydrophobicContact CG-CG 4.39Å; P60-L63 PolarHBondContact O-N 3.45Å; P60-K64 PolarHBondContact O-N 3.38Å | ||
| 61 | Q | 87.7 | Confident | 91.2 | Very high | 125 Ų | 125 | 62.3 Ų | 62.3 | 58% | 0.584 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -34.3 | -171.7 | -175.3 | 56.3 | 48.6 | 0 | 0 | 113.5 | K64 | Q61-K64 WeakPolarHBondContact O-CB 3.44Š|
| 62 | Y | 88.7 | Confident | 91.5 | Very high | 87 Ų | 87 | 64.2 Ų | 64.2 | 34% | 0.341 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -32.5 | 178.1 | 72.8 | -84.5 | 0 | 0 | 0 | 113 | Y24 P60 K64 S65 T68 | Y24-Y62 WeakPolarHBondContact CD2-OH 3.16Å; Y24-Y62 VanDerWaalsContact CE2-OH 3.29Å; Y24-Y62 WeakPolarHBondContact CE2-OH 3.1Å; P60-Y62 HydrophobicContact CB-CD1 3.66Å; P60-Y62 HydrophobicContact CB-CE1 3.37Å; P60-Y62 HydrophobicContact CG-CE1 4.12Å; P60-Y62 PolarHBondContact O-N 3.21Å; Y62-K64 VanDerWaalsContact C-N 3.26Å; Y62-K64 PolarHBondContact O-N 3.02Å; Y62-S65 PolarHBondContact O-N 3.44Å; Y62-T68 HydrophobicContact CD2-CG2 4.34Å; Y62-T68 PolarHBondContact O-OG1 3.15Å; Y62-T68 VanDerWaalsContact O-OG1 3.09Å |
| 63 | L | 93.1 | Very high | 91.8 | Very high | 2 Ų | 2 | 65.4 Ų | 65.4 | 1% | 0.01 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -14.2 | 179.2 | -64.5 | -172.5 | 0 | 0 | 0 | 113.9 | Y24 L59 P60 S65 T68 L70 R103 | Y24-L63 HydrophobicContact CD1-CD1 3.26Å; Y24-L63 HydrophobicContact CD2-CD1 3.55Å; Y24-L63 HydrophobicContact CD2-CD2 4.45Å; Y24-L63 HydrophobicContact CE1-CD1 3.55Å; Y24-L63 HydrophobicContact CE2-CD1 3.83Å; Y24-L63 HydrophobicContact CG-CD1 3.26Å; Y24-L63 HydrophobicContact CG-CD2 4.38Å; Y24-L63 HydrophobicContact CG-CG 4.44Å; L59-L63 HydrophobicContact CB-CB 4.38Å; L59-L63 HydrophobicContact CD2-CB 4.23Å; P60-L63 HydrophobicContact CB-CD1 4.45Å; P60-L63 HydrophobicContact CB-CG 4.31Å; P60-L63 HydrophobicContact CG-CD1 4.01Å; P60-L63 HydrophobicContact CG-CG 4.39Å; P60-L63 PolarHBondContact O-N 3.45Å; L63-S65 PolarHBondContact O-N 3.35Å; L63-T68 HydrophobicContact CD2-CG2 3.57Å; L63-L70 HydrophobicContact CB-CD2 4.28Å; L63-L70 HydrophobicContact CD1-CD2 3.96Å; L63-L70 HydrophobicContact CD2-CD2 3.73Å; L63-L70 HydrophobicContact CG-CD2 4.22Å; L63-R103 PolarHBondContact O-NH1 2.96Å |
| 64 | K | 94 | Very high | 92.1 | Very high | 57 Ų | 57 | 60.3 Ų | 60.3 | 25% | 0.248 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -28 | 173.2 | -67.8 | -171.9 | 169.1 | -168.6 | 0 | 112.1 | L59 P60 Q61 Y62 L66 E102 R103 | L59-K64 HydrophobicContact CB-CG 3.9Å; P60-K64 PolarHBondContact O-N 3.38Å; Q61-K64 WeakPolarHBondContact O-CB 3.44Å; Y62-K64 VanDerWaalsContact C-N 3.26Å; Y62-K64 PolarHBondContact O-N 3.02Å; K64-L66 PolarHBondContact O-N 3.05Å; K64-E102 HydrophobicContact CB-CB 4.2Å; K64-E102 IonicContact NZ-OE2 3.75Å; K64-E102 CarbonylContact O-C 3.58Å; K64-E102 WeakPolarHBondContact O-CA 3.49Å; K64-R103 PolarHBondContact O-N 3.34Å |
| 65 | S | 93.2 | Very high | 92.3 | Very high | 36 Ų | 36 | 60.2 Ų | 60.2 | 25% | 0.252 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -65.1 | 128 | 176.6 | -178.8 | 0 | 0 | 0 | 0 | 111.2 | Y62 L63 D67 T68 R103 | Y62-S65 PolarHBondContact O-N 3.44Å; L63-S65 PolarHBondContact O-N 3.35Å; S65-D67 PolarHBondContact O-N 2.99Å; S65-D67 PolarHBondContact OG-N 2.66Å; S65-T68 WeakPolarHBondContact O-CB 3.36Å; S65-T68 PolarHBondContact O-N 3.38Å; S65-R103 PolarHBondContact O-NH1 2.78Å |
| 66 | L | 92.1 | Very high | 92.4 | Very high | 72 Ų | 72 | 59.5 Ų | 59.5 | 38% | 0.377 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -26.6 | 176.6 | -61.1 | 178.3 | 0 | 0 | 0 | 112.9 | K64 T68 N99 K100 R103 | K64-L66 PolarHBondContact O-N 3.05Å; L66-T68 PolarHBondContact O-N 3.28Å; L66-N99 WeakPolarHBondContact CD1-O 3.5Å; L66-K100 VanDerWaalsContact CD1-C 3.48Å; L66-K100 WeakPolarHBondContact CD1-O 3.4Å; L66-R103 HydrophobicContact CD2-CG 3.78Å; L66-R103 PolarHBondContact O-NH2 2.83Å |
| 67 | D | 91.6 | Very high | 92.3 | Very high | 124 Ų | 124 | 59.2 Ų | 59.2 | 66% | 0.663 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -16 | 178.8 | -52.9 | -34.5 | 0 | 0 | 0 | 112.5 | S65 K256 | S65-D67 PolarHBondContact O-N 2.99Å; S65-D67 PolarHBondContact OG-N 2.66Å; D67-K256 IonicContact OD2-NZ 2.98Å; D67-K256 PolarHBondContact OD2-NZ 3.48Å |
| 68 | T | 91.5 | Very high | 92.2 | Very high | 38 Ų | 38 | 61.3 Ų | 61.3 | 23% | 0.233 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -83.9 | 133 | -179.9 | -53.5 | 0 | 0 | 0 | 0 | 111.3 | Y62 L63 S65 L66 R103 | Y62-T68 HydrophobicContact CD2-CG2 4.34Å; Y62-T68 PolarHBondContact O-OG1 3.15Å; Y62-T68 VanDerWaalsContact O-OG1 3.09Å; L63-T68 HydrophobicContact CD2-CG2 3.57Å; S65-T68 WeakPolarHBondContact O-CB 3.36Å; S65-T68 PolarHBondContact O-N 3.38Å; L66-T68 PolarHBondContact O-N 3.28Å; T68-R103 PolarHBondContact O-NH1 2.83Å; T68-R103 PolarHBondContact O-NH2 2.93Å |
| 69 | M | 91.7 | Very high | 92.2 | Very high | 146 Ų | 146 | 59.7 Ų | 59.7 | 72% | 0.719 | 29% | 0.293 | S | S | * | . | trans | -73.6 | 133.5 | 177.4 | -172.8 | 177.5 | 73 | 0 | 0 | 111.2 | ||||
| 70 | L | 94.3 | Very high | 91.9 | Very high | 30 Ų | 30 | 59.5 Ų | 59.5 | 16% | 0.157 | 29% | 0.293 | C | S | . | . | trans | -117.7 | 143.9 | 171.5 | -62.8 | 177.9 | 0 | 0 | 0 | 108.5 | L22 L63 Y73 | L22-L70 HydrophobicContact CD1-CD1 3.96Å; L22-L70 HydrophobicContact CD1-CD2 3.85Å; L22-L70 HydrophobicContact CD1-CG 4.46Å; L63-L70 HydrophobicContact CB-CD2 4.28Å; L63-L70 HydrophobicContact CD1-CD2 3.96Å; L63-L70 HydrophobicContact CD2-CD2 3.73Å; L63-L70 HydrophobicContact CG-CD2 4.22Å; L70-Y73 HydrophobicContact CD1-CD2 3.87Å; L70-Y73 HydrophobicContact CD1-CG 3.77Å | ||
| 71 | L | 96 | Very high | 91.4 | Very high | 93 Ų | 93 | 59.8 Ų | 59.8 | 49% | 0.487 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -76.8 | -36 | 175.8 | -59 | 174.4 | 0 | 0 | 0 | 110.6 | V2 C23 | V2-L71 HydrophobicContact CB-CD1 4.39Å; V2-L71 HydrophobicContact CG1-CD1 3.75Å; V2-L71 HydrophobicContact CG2-CD1 3.73Å; C23-L71 HydrophobicContact CB-CB 4.13Å; C23-L71 WeakPolarHBondContact O-CA 3.49Å; C23-L71 WeakPolarHBondContact O-CB 3.35Å; C23-L71 PolarHBondContact O-N 3.15Å |
| 72 | W | 94.6 | Very high | 90.2 | Very high | 111 Ų | 111 | 59.1 Ų | 59.1 | 42% | 0.42 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 134.5 | 173.2 | -168.2 | -5.2 | 0 | 0 | 0 | 109.1 | F6 A21 L22 C23 E74 | F6-W72 HydrophobicContact CE1-CE3 4.18Å; F6-W72 AromaticContact CE1-CZ3 3.94Å; F6-W72 HydrophobicContact CE1-CZ3 3.94Å; A21-W72 HydrophobicContact CB-CD2 3.93Å; A21-W72 HydrophobicContact CB-CE3 4.36Å; A21-W72 HydrophobicContact CB-CG 4.3Å; A21-W72 HydrophobicContact CB-CZ2 4.12Å; L22-W72 CarbonylContact C-O 3.54Å; L22-W72 WeakPolarHBondContact CA-O 3.33Å; C23-W72 HydrophobicContact CB-CB 3.98Å; C23-W72 PolarHBondContact N-O 2.79Å; C23-W72 PolarHBondContact O-N 2.93Å; C23-W72 VanDerWaalsContact O-N 3.14Å; W72-E74 PolarHBondContact NE1-OE2 3.23Å |
| 73 | Y | 95.1 | Very high | 88.7 | Confident | 58 Ų | 58 | 57.3 Ų | 57.3 | 23% | 0.227 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 109.8 | 171.8 | -175.9 | -112.8 | 0 | 0 | 0 | 110.6 | A21 L22 L57 L59 L70 T75 R103 G105 D199 | A21-Y73 CarbonylContact O-C 3.57Å; A21-Y73 WeakPolarHBondContact O-CA 3.31Å; L22-Y73 HydrophobicContact CD1-CD2 4Å; L57-Y73 HydrophobicContact CD1-CD2 4.24Å; L57-Y73 HydrophobicContact CD1-CE2 4.02Å; L59-Y73 HydrophobicContact CD1-CE2 4.33Å; L59-Y73 HydrophobicContact CD2-CE2 4.08Å; L70-Y73 HydrophobicContact CD1-CD2 3.87Å; L70-Y73 HydrophobicContact CD1-CG 3.77Å; Y73-T75 HydrophobicContact CD2-CG2 4.46Å; Y73-T75 HydrophobicContact CE1-CG2 3.78Å; Y73-T75 HydrophobicContact CE2-CG2 3.71Å; Y73-T75 VanDerWaalsContact OH-CG2 3.27Å; Y73-T75 WeakPolarHBondContact OH-CG2 3.37Å; Y73-R103 HydrophobicContact CE1-CB 4.39Å; Y73-R103 HydrophobicContact CE1-CG 4.24Å; Y73-G105 VanDerWaalsContact OH-CA 3.26Å; Y73-G105 WeakPolarHBondContact OH-CA 3.29Å; Y73-G105 PolarHBondContact OH-N 2.85Å; Y73-D199 WeakPolarHBondContact CE1-OD2 3.5Å; Y73-D199 VanDerWaalsContact CZ-OD2 3.29Å; Y73-D199 VanDerWaalsContact OH-CG 3.31Å; Y73-D199 PolarHBondContact OH-OD1 2.81Å; Y73-D199 PolarHBondContact OH-OD2 3.16Å |
| 74 | E | 93 | Very high | 86.9 | Confident | 87 Ų | 87 | 68.8 Ų | 68.8 | 41% | 0.407 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 130.7 | 177.8 | -175.2 | 169.2 | -178.9 | 0 | 0 | 108.1 | A20 A21 L57 W72 | A20-E74 CarbonylContact C-O 3.59Å; A20-E74 WeakPolarHBondContact CA-O 3.04Å; A21-E74 HydrophobicContact CB-CB 4.43Å; A21-E74 PolarHBondContact N-O 2.85Å; A21-E74 PolarHBondContact O-N 3.17Å; A21-E74 VanDerWaalsContact O-O 3.13Å; L57-E74 VanDerWaalsContact CD1-O 3.29Å; L57-E74 WeakPolarHBondContact CD1-O 3.4Å; W72-E74 PolarHBondContact NE1-OE2 3.23Å |
| 75 | T | 94.3 | Very high | 85 | Confident | 18 Ų | 18 | 73.9 Ų | 73.9 | 11% | 0.11 | 37% | 0.374 | C | S | . | . | trans | -120.4 | 147 | -170.8 | 49.7 | 0 | 0 | 0 | 0 | 111.2 | L19 L57 Y73 G105 S107 | L19-T75 CarbonylContact O-C 3.46Å; L57-T75 HydrophobicContact CD1-CG2 4.05Å; Y73-T75 HydrophobicContact CD2-CG2 4.46Å; Y73-T75 HydrophobicContact CE1-CG2 3.78Å; Y73-T75 HydrophobicContact CE2-CG2 3.71Å; Y73-T75 VanDerWaalsContact OH-CG2 3.27Å; Y73-T75 WeakPolarHBondContact OH-CG2 3.37Å; T75-G105 VanDerWaalsContact CG2-C 3.45Å; T75-S107 PolarHBondContact O-OG 2.93Å; T75-S107 WeakPolarHBondContact OG1-CB 3.25Å; T75-S107 PolarHBondContact OG1-N 2.89Å; T75-S107 PolarHBondContact OG1-OG 2.82Å | ||
| 76 | A | 92.8 | Very high | 83.3 | Confident | 3 Ų | 3 | 74 Ų | 74 | 3% | 0.025 | 38% | 0.375 | C | S | . | . | trans | -69.4 | 157.7 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | L19 P55 F106 S107 | L19-A76 WeakPolarHBondContact O-CA 3.12Å; L19-A76 PolarHBondContact O-N 2.89Å; L19-A76 VanDerWaalsContact O-N 3.15Å; P55-A76 HydrophobicContact CG-CB 3.86Å; P55-A76 WeakPolarHBondContact O-CB 3.48Å; A76-F106 HydrophobicContact CB-CD2 4.33Å; A76-F106 HydrophobicContact CB-CE2 3.86Å; A76-F106 WeakPolarHBondContact O-CD2 3.42Å; A76-S107 PolarHBondContact O-N 3.02Å; A76-S107 PolarHBondContact O-OG 2.89Å | ||
| 77 | N | 92.5 | Very high | 81.8 | Confident | 14 Ų | 14 | 79.8 Ų | 79.8 | 8% | 0.075 | 39% | 0.392 | C | S | . | . | trans | -146.5 | 160 | 176.7 | 63.1 | 85 | 0 | 0 | 0 | 108.9 | L54 E79 S80 F81 W96 S107 | L54-N77 WeakPolarHBondContact CD1-O 3.46Å; N77-E79 PolarHBondContact OD1-N 2.86Å; N77-S80 PolarHBondContact ND2-OG 2.88Å; N77-S80 WeakPolarHBondContact OD1-CB 3.45Å; N77-S80 PolarHBondContact OD1-N 3.12Å; N77-S80 PolarHBondContact OD1-OG 3.07Å; N77-F81 VanDerWaalsContact O-CD2 3.28Å; N77-F81 WeakPolarHBondContact O-CD2 3.42Å; N77-W96 HydrophobicContact CB-CH2 4.03Å; N77-W96 HydrophobicContact CB-CZ3 4.25Å; N77-S107 WeakPolarHBondContact CA-O 3.21Å; N77-S107 VanDerWaalsContact CB-O 3.31Å; N77-S107 WeakPolarHBondContact CB-O 3.44Å | ||
| 78 | L | 90.7 | Very high | 80.6 | Confident | 49 Ų | 49 | 74.5 Ų | 74.5 | 26% | 0.257 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -77.7 | -28.8 | -179.9 | -74.4 | 171.1 | 0 | 0 | 0 | 112.2 | Y49 T52 L54 S80 F81 F106 | Y49-L78 HydrophobicContact CE1-CD1 4.39Å; T52-L78 HydrophobicContact CG2-CD2 3.9Å; L54-L78 HydrophobicContact CD1-CD2 3.54Å; L54-L78 HydrophobicContact CD1-CG 4.28Å; L54-L78 HydrophobicContact CG-CD2 4.46Å; L78-S80 PolarHBondContact O-N 3.01Å; L78-F81 CarbonylContact O-C 3.52Å; L78-F81 PolarHBondContact O-N 2.92Å; L78-F106 HydrophobicContact CG-CE1 4.25Å; L78-F106 HydrophobicContact CG-CZ 4.24Å |
| 79 | E | 89 | Confident | 79.6 | Confident | 47 Ų | 47 | 80.5 Ų | 80.5 | 22% | 0.22 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -28.2 | -175.2 | -65.3 | 87.6 | 154.3 | 0 | 0 | 112.7 | N77 F81 V91 W96 G108 K109 Y115 | N77-E79 PolarHBondContact OD1-N 2.86Å; E79-F81 PolarHBondContact O-N 2.62Å; E79-V91 HydrophobicContact CB-CG1 4.3Å; E79-V91 HydrophobicContact CB-CG2 4.2Å; E79-W96 HydrophobicContact CB-CH2 4.21Å; E79-W96 HydrophobicContact CB-CZ2 4.03Å; E79-W96 HydrophobicContact CG-CH2 4.32Å; E79-W96 HydrophobicContact CG-CZ2 3.95Å; E79-G108 VanDerWaalsContact OE1-CA 3.29Å; E79-G108 WeakPolarHBondContact OE1-CA 3.39Å; E79-G108 WeakPolarHBondContact OE2-CA 3.14Å; E79-K109 WeakPolarHBondContact OE1-CB 3.18Å; E79-K109 PolarHBondContact OE1-N 2.62Å; E79-Y115 PolarHBondContact OE1-OH 3.07Å |
| 80 | S | 84.7 | Confident | 78.7 | Confident | 14 Ų | 14 | 82.1 Ų | 82.1 | 10% | 0.098 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -13.8 | 172.7 | -77.4 | 0 | 0 | 0 | 0 | 113.1 | N77 L78 S88 R89 | N77-S80 PolarHBondContact ND2-OG 2.88Å; N77-S80 WeakPolarHBondContact OD1-CB 3.45Å; N77-S80 PolarHBondContact OD1-N 3.12Å; N77-S80 PolarHBondContact OD1-OG 3.07Å; L78-S80 PolarHBondContact O-N 3.01Å; S80-S88 CarbonylContact O-C 3.58Å; S80-S88 VanDerWaalsContact O-CA 3.27Å; S80-S88 WeakPolarHBondContact O-CA 3.42Å; S80-R89 VanDerWaalsContact CB-O 3.25Å; S80-R89 WeakPolarHBondContact CB-O 3.47Å; S80-R89 PolarHBondContact O-N 3.17Å; S80-R89 PolarHBondContact OG-O 2.67Å |
| 81 | F | 79.4 | Confident | 78 | Confident | 45 Ų | 45 | 83.1 Ų | 83.1 | 20% | 0.197 | 40% | 0.396 | C | S | . | . | trans | -120.2 | 93.3 | -175.3 | -65.5 | -94.4 | 0 | 0 | 0 | 111.5 | L19 L54 N77 L78 E79 G83 | L19-F81 HydrophobicContact CD1-CZ 3.87Å; L19-F81 HydrophobicContact CD2-CE1 4.43Å; L19-F81 HydrophobicContact CD2-CE2 4.43Å; L19-F81 HydrophobicContact CD2-CZ 3.6Å; L19-F81 HydrophobicContact CG-CZ 4.3Å; L54-F81 HydrophobicContact CD1-CD2 3.56Å; L54-F81 HydrophobicContact CD1-CE2 3.93Å; L54-F81 HydrophobicContact CD1-CG 4.15Å; L54-F81 HydrophobicContact CD2-CD1 4.04Å; L54-F81 HydrophobicContact CD2-CD2 3.68Å; L54-F81 HydrophobicContact CD2-CE1 3.83Å; L54-F81 HydrophobicContact CD2-CE2 3.47Å; L54-F81 VanDerWaalsContact CD2-CE2 3.47Å; L54-F81 HydrophobicContact CD2-CG 3.95Å; L54-F81 HydrophobicContact CD2-CZ 3.52Å; L54-F81 HydrophobicContact CG-CD2 4.29Å; L54-F81 HydrophobicContact CG-CE2 4.36Å; N77-F81 VanDerWaalsContact O-CD2 3.28Å; N77-F81 WeakPolarHBondContact O-CD2 3.42Å; L78-F81 CarbonylContact O-C 3.52Å; L78-F81 PolarHBondContact O-N 2.92Å; E79-F81 PolarHBondContact O-N 2.62Å; F81-G83 PolarHBondContact O-N 3.21Å; F81-G83 VanDerWaalsContact O-N 3.07Å | ||
| 82 | N | 62.7 | Low | 77.2 | Confident | 110 Ų | 110 | 82.6 Ų | 82.6 | 59% | 0.588 | 41% | 0.405 | S | S | * | . | trans | -82.4 | 74.3 | 174.2 | -84.7 | -11.3 | 0 | 0 | 0 | 112 | S86 | N82-S86 WeakPolarHBondContact O-CB 3.35Å; N82-S86 PolarHBondContact O-OG 3.03Å | ||
| 83 | G | 56.6 | Low | 76.6 | Confident | 50 Ų | 50 | 80.9 Ų | 80.9 | 52% | 0.515 | 41% | 0.407 | S | S | . | . | S | Bend | trans | 85 | 171.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | F81 N85 S86 | F81-G83 PolarHBondContact O-N 3.21Å; F81-G83 VanDerWaalsContact O-N 3.07Å; G83-N85 VanDerWaalsContact C-N 3.3Å; G83-N85 PolarHBondContact O-N 3.12Å; G83-N85 VanDerWaalsContact O-N 3.15Å; G83-S86 PolarHBondContact O-N 2.86Å |
| 84 | Y | 54.9 | Low | 76 | Confident | 242 Ų | 242 | 84.2 Ų | 84.2 | 95% | 0.949 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -29.7 | -162.5 | -70.2 | -78.7 | 0 | 0 | 0 | 115.8 | ||
| 85 | N | 55.1 | Low | 75.7 | Confident | 164 Ų | 164 | 91.2 Ų | 91.2 | 88% | 0.877 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.8 | 7.7 | -176 | -65.7 | -23.2 | 0 | 0 | 0 | 113.3 | G83 | G83-N85 VanDerWaalsContact C-N 3.3Å; G83-N85 PolarHBondContact O-N 3.12Å; G83-N85 VanDerWaalsContact O-N 3.15Å |
| 86 | S | 56.2 | Low | 75.6 | Confident | 39 Ų | 39 | 91.8 Ų | 91.8 | 27% | 0.273 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -84.2 | 123 | -179.6 | -74.3 | 0 | 0 | 0 | 0 | 110 | N82 G83 S88 | N82-S86 WeakPolarHBondContact O-CB 3.35Å; N82-S86 PolarHBondContact O-OG 3.03Å; G83-S86 PolarHBondContact O-N 2.86Å; S86-S88 PolarHBondContact O-N 2.96Å |
| 87 | R | 62.1 | Low | 75.7 | Confident | 194 Ų | 194 | 95.7 Ų | 95.7 | 73% | 0.732 | 48% | 0.476 | S | S | * | . | P | Polyproline II helix | trans | -51.6 | 136.9 | 160.9 | -67.2 | -175.4 | -178.8 | -173.2 | 0.1 | 108.3 | R89 | R87-R89 PolarHBondContact O-N 3.36Š|
| 88 | S | 64.5 | Low | 75.8 | Confident | 12 Ų | 12 | 104.7 Ų | 104.7 | 8% | 0.084 | 51% | 0.509 | C | S | . | . | P | Polyproline II helix | trans | -49.8 | 140.1 | 173.1 | 49.1 | 0 | 0 | 0 | 0 | 110.6 | E9 R17 S80 S86 | E9-S88 PolarHBondContact OE2-OG 2.86Å; R17-S88 VanDerWaalsContact CD-OG 3.3Å; R17-S88 WeakPolarHBondContact CD-OG 3.37Å; R17-S88 PolarHBondContact NH1-O 3.42Å; R17-S88 PolarHBondContact NH1-OG 3.36Å; S80-S88 CarbonylContact O-C 3.58Å; S80-S88 VanDerWaalsContact O-CA 3.27Å; S80-S88 WeakPolarHBondContact O-CA 3.42Å; S86-S88 PolarHBondContact O-N 2.96Å |
| 89 | R | 71.4 | Confident | 76 | Confident | 165 Ų | 165 | 102.5 Ų | 102.5 | 62% | 0.623 | 50% | 0.497 | S | S | * | . | trans | -118.4 | 149.4 | 175.6 | -65.9 | -175.9 | -177.4 | -176 | -0.1 | 110.4 | S80 R87 | S80-R89 VanDerWaalsContact CB-O 3.25Å; S80-R89 WeakPolarHBondContact CB-O 3.47Å; S80-R89 PolarHBondContact O-N 3.17Å; S80-R89 PolarHBondContact OG-O 2.67Å; R87-R89 PolarHBondContact O-N 3.36Å | ||
| 90 | E | 72.5 | Confident | 76.3 | Confident | 180 Ų | 180 | 108.2 Ų | 108.2 | 84% | 0.841 | 52% | 0.522 | S | S | * | . | trans | -68.5 | 135.1 | 168.4 | -69.8 | -178.7 | -177.4 | 0 | 0 | 109.7 | ||||
| 91 | V | 79.1 | Confident | 76.7 | Confident | 51 Ų | 51 | 109.5 Ų | 109.5 | 31% | 0.309 | 53% | 0.525 | S | S | . | . | trans | -121.2 | 134.5 | 178.9 | 179.3 | 0 | 0 | 0 | 0 | 107.7 | E79 T93 W96 | E79-V91 HydrophobicContact CB-CG1 4.3Å; E79-V91 HydrophobicContact CB-CG2 4.2Å; V91-T93 WeakPolarHBondContact O-CG2 3.36Å; V91-T93 PolarHBondContact O-N 3.16Å; V91-W96 HydrophobicContact CG1-CH2 4.47Å; V91-W96 HydrophobicContact CG1-CZ2 3.81Å | ||
| 92 | A | 79.2 | Confident | 77.5 | Confident | 82 Ų | 82 | 108 Ų | 108 | 68% | 0.678 | 52% | 0.518 | S | S | * | . | trans | -69.1 | 105.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 93 | T | 82.8 | Confident | 79.1 | Confident | 74 Ų | 74 | 104.5 Ų | 104.5 | 45% | 0.454 | 50% | 0.496 | S | S | . | . | trans | -91.9 | -2.3 | -176.9 | 60.9 | 0 | 0 | 0 | 0 | 113.8 | V91 R95 W96 | V91-T93 WeakPolarHBondContact O-CG2 3.36Å; V91-T93 PolarHBondContact O-N 3.16Å; T93-R95 PolarHBondContact O-N 3.31Å; T93-R95 VanDerWaalsContact O-N 3.12Å; T93-W96 HydrophobicContact CG2-CD2 4.08Å; T93-W96 HydrophobicContact CG2-CE3 3.69Å; T93-W96 HydrophobicContact CG2-CH2 3.91Å; T93-W96 HydrophobicContact CG2-CZ2 4.27Å; T93-W96 HydrophobicContact CG2-CZ3 3.59Å; T93-W96 WeakPolarHBondContact O-CB 3.24Å; T93-W96 PolarHBondContact O-N 3.4Å | ||
| 94 | T | 81.6 | Confident | 81 | Confident | 129 Ų | 129 | 102.7 Ų | 102.7 | 79% | 0.791 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -26.5 | -173.5 | 53.4 | 0 | 0 | 0 | 0 | 114 | ||
| 95 | R | 86.6 | Confident | 82.9 | Confident | 233 Ų | 233 | 91.2 Ų | 91.2 | 88% | 0.879 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | -3.5 | 178.8 | -62.3 | -175.4 | -178.9 | -177.7 | 0.5 | 113.7 | T93 I97 | T93-R95 PolarHBondContact O-N 3.31Å; T93-R95 VanDerWaalsContact O-N 3.12Å; R95-I97 PolarHBondContact O-N 2.78Å |
| 96 | W | 92.8 | Very high | 84.9 | Confident | 30 Ų | 30 | 83.4 Ų | 83.4 | 11% | 0.114 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -73.9 | 128.9 | -177.4 | -67.4 | -2.7 | 0 | 0 | 0 | 110.7 | N77 E79 V91 T93 R98 G108 Y115 N200 | N77-W96 HydrophobicContact CB-CH2 4.03Å; N77-W96 HydrophobicContact CB-CZ3 4.25Å; E79-W96 HydrophobicContact CB-CH2 4.21Å; E79-W96 HydrophobicContact CB-CZ2 4.03Å; E79-W96 HydrophobicContact CG-CH2 4.32Å; E79-W96 HydrophobicContact CG-CZ2 3.95Å; V91-W96 HydrophobicContact CG1-CH2 4.47Å; V91-W96 HydrophobicContact CG1-CZ2 3.81Å; T93-W96 HydrophobicContact CG2-CD2 4.08Å; T93-W96 HydrophobicContact CG2-CE3 3.69Å; T93-W96 HydrophobicContact CG2-CH2 3.91Å; T93-W96 HydrophobicContact CG2-CZ2 4.27Å; T93-W96 HydrophobicContact CG2-CZ3 3.59Å; T93-W96 WeakPolarHBondContact O-CB 3.24Å; T93-W96 PolarHBondContact O-N 3.4Å; W96-R98 PolarHBondContact O-N 3.45Å; W96-G108 VanDerWaalsContact CZ3-N 3.25Å; W96-Y115 AromaticContact CD1-CE1 3.92Å; W96-Y115 AromaticContact CD1-CZ 3.9Å; W96-Y115 AromaticContact CD2-CE1 3.97Å; W96-Y115 HydrophobicContact CD2-CE1 3.97Å; W96-Y115 AromaticContact CE2-CE1 3.95Å; W96-Y115 AromaticContact CE2-CZ 3.91Å; W96-Y115 HydrophobicContact CG-CD1 4.48Å; W96-Y115 AromaticContact CG-CE1 3.95Å; W96-Y115 HydrophobicContact CG-CE1 3.95Å; W96-Y115 AromaticContact NE1-CE1 3.93Å; W96-Y115 AromaticContact NE1-CZ 3.61Å; W96-Y115 PolarHBondContact NE1-OH 2.76Å; W96-N200 HydrophobicContact CB-CB 4.31Å; W96-N200 WeakPolarHBondContact CB-ND2 3.46Å; W96-N200 HydrophobicContact CE3-CB 4.49Å |
| 97 | I | 94.9 | Very high | 86.8 | Confident | 86 Ų | 86 | 82.1 Ų | 82.1 | 44% | 0.441 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 137.7 | 170.2 | -59.5 | 174.7 | 0 | 0 | 0 | 107.7 | R95 N200 W202 | R95-I97 PolarHBondContact O-N 2.78Å; I97-N200 WeakPolarHBondContact O-CA 3.43Å; I97-N200 WeakPolarHBondContact O-CB 3.34Å; I97-N200 PolarHBondContact O-ND2 3.01Å; I97-W202 HydrophobicContact CG2-CH2 3.87Å; I97-W202 HydrophobicContact CG2-CZ3 4.18Å |
| 98 | R | 94.3 | Very high | 88.4 | Confident | 202 Ų | 202 | 72.9 Ų | 72.9 | 76% | 0.762 | 35% | 0.345 | S | S | * | . | P | Polyproline II helix | trans | -99 | 136.5 | 177.6 | -65.2 | -175.4 | 179.8 | -173 | -1.3 | 110.9 | W96 K100 D199 W202 | W96-R98 PolarHBondContact O-N 3.45Å; R98-K100 PolarHBondContact O-N 2.85Å; R98-D199 CarbonylContact C-O 3.6Å; R98-D199 WeakPolarHBondContact CA-O 3.48Å; R98-W202 WeakPolarHBondContact O-CH2 3.28Å |
| 99 | N | 96 | Very high | 89.8 | Confident | 4 Ų | 4 | 75.7 Ų | 75.7 | 2% | 0.021 | 36% | 0.356 | C | S | . | . | trans | -64 | 113.3 | 169.5 | -173.5 | -20 | 0 | 0 | 0 | 108.7 | L66 Y101 E102 Y191 T198 D199 W202 | L66-N99 WeakPolarHBondContact CD1-O 3.5Å; N99-Y101 VanDerWaalsContact C-N 3.28Å; N99-Y101 WeakPolarHBondContact OD1-CB 3.3Å; N99-Y101 WeakPolarHBondContact OD1-CD2 3.34Å; N99-Y101 PolarHBondContact OD1-N 2.85Å; N99-E102 PolarHBondContact OD1-N 2.97Å; N99-Y191 PolarHBondContact ND2-OH 2.82Å; N99-T198 PolarHBondContact ND2-O 3.48Å; N99-D199 WeakPolarHBondContact CB-O 3.37Å; N99-D199 PolarHBondContact N-O 2.9Å; N99-W202 HydrophobicContact CB-CD2 4.4Å; N99-W202 HydrophobicContact CB-CE3 3.62Å; N99-W202 HydrophobicContact CB-CZ3 3.82Å | ||
| 100 | K | 94.3 | Very high | 90.9 | Very high | 167 Ų | 167 | 68.4 Ų | 68.4 | 73% | 0.726 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -82.8 | -5.1 | -176.9 | -61.9 | -177.5 | -178.8 | 178.9 | 0 | 113.1 | L66 R98 | L66-K100 VanDerWaalsContact CD1-C 3.48Å; L66-K100 WeakPolarHBondContact CD1-O 3.4Å; R98-K100 PolarHBondContact O-N 2.85Å |
| 101 | Y | 94.8 | Very high | 91.8 | Very high | 41 Ų | 41 | 64.4 Ų | 64.4 | 16% | 0.161 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -99.9 | -43.2 | -172.4 | -61.2 | -91.5 | 0 | 0 | 0 | 112.4 | N99 Y191 W202 I253 L255 | N99-Y101 VanDerWaalsContact C-N 3.28Å; N99-Y101 WeakPolarHBondContact OD1-CB 3.3Å; N99-Y101 WeakPolarHBondContact OD1-CD2 3.34Å; N99-Y101 PolarHBondContact OD1-N 2.85Å; Y101-Y191 VanDerWaalsContact CD1-CB 3.49Å; Y101-Y191 HydrophobicContact CD1-CD2 4.03Å; Y101-Y191 AromaticContact CD1-CG 3.85Å; Y101-Y191 HydrophobicContact CD1-CG 3.85Å; Y101-Y191 AromaticContact CD2-CD2 3.17Å; Y101-Y191 HydrophobicContact CD2-CD2 3.17Å; Y101-Y191 AromaticContact CD2-CE2 3.81Å; Y101-Y191 HydrophobicContact CD2-CE2 3.81Å; Y101-Y191 AromaticContact CD2-CG 3.87Å; Y101-Y191 HydrophobicContact CD2-CG 3.87Å; Y101-Y191 HydrophobicContact CE1-CD2 4.49Å; Y101-Y191 HydrophobicContact CE1-CG 4.3Å; Y101-Y191 AromaticContact CE2-CD2 3.76Å; Y101-Y191 HydrophobicContact CE2-CD2 3.76Å; Y101-Y191 HydrophobicContact CE2-CG 4.35Å; Y101-Y191 HydrophobicContact CG-CD1 4.43Å; Y101-Y191 AromaticContact CG-CD2 3.33Å; Y101-Y191 HydrophobicContact CG-CD2 3.33Å; Y101-Y191 AromaticContact CG-CE2 3.96Å; Y101-Y191 HydrophobicContact CG-CE2 3.96Å; Y101-Y191 AromaticContact CG-CG 3.59Å; Y101-Y191 HydrophobicContact CG-CG 3.59Å; Y101-W202 HydrophobicContact CE2-CZ2 4.28Å; Y101-W202 AromaticContact CE2-NE1 3.7Å; Y101-I253 HydrophobicContact CD1-CB 4.37Å; Y101-I253 HydrophobicContact CD1-CG2 4.14Å; Y101-L255 HydrophobicContact CD1-CD2 4.15Å; Y101-L255 HydrophobicContact CE1-CD1 4.48Å; Y101-L255 HydrophobicContact CE1-CD2 3.47Å; Y101-L255 VanDerWaalsContact CE1-CD2 3.47Å; Y101-L255 HydrophobicContact CE1-CG 3.56Å |
| 102 | E | 95.2 | Very high | 92.6 | Very high | 12 Ų | 12 | 62.2 Ų | 62.2 | 6% | 0.056 | 30% | 0.298 | C | S | . | . | trans | -158.4 | 158.9 | -178.4 | 61.4 | -179.7 | 165.9 | 0 | 0 | 112.9 | K64 N99 T104 Y191 I253 | K64-E102 HydrophobicContact CB-CB 4.2Å; K64-E102 IonicContact NZ-OE2 3.75Å; K64-E102 CarbonylContact O-C 3.58Å; K64-E102 WeakPolarHBondContact O-CA 3.49Å; N99-E102 PolarHBondContact OD1-N 2.97Å; E102-T104 HydrophobicContact CG-CG2 4.15Å; E102-Y191 VanDerWaalsContact CD-OH 3.31Å; E102-Y191 HydrophobicContact CG-CE1 4.27Å; E102-Y191 VanDerWaalsContact CG-OH 3.27Å; E102-Y191 WeakPolarHBondContact CG-OH 3.25Å; E102-Y191 WeakPolarHBondContact OE1-CE1 3.27Å; E102-Y191 VanDerWaalsContact OE1-CZ 3.24Å; E102-Y191 PolarHBondContact OE1-OH 2.81Å; E102-I253 HydrophobicContact CG-CD1 4.43Å | ||
| 103 | R | 96.1 | Very high | 93.2 | Very high | 37 Ų | 37 | 61.9 Ų | 61.9 | 14% | 0.14 | 29% | 0.289 | C | S | . | . | trans | -79.2 | 136.6 | 156.6 | -58.7 | -172.1 | -171 | 87.1 | 4.4 | 109.5 | L59 L63 K64 S65 L66 T68 Y73 | L59-R103 HydrophobicContact CD2-CB 3.67Å; L63-R103 PolarHBondContact O-NH1 2.96Å; K64-R103 PolarHBondContact O-N 3.34Å; S65-R103 PolarHBondContact O-NH1 2.78Å; L66-R103 HydrophobicContact CD2-CG 3.78Å; L66-R103 PolarHBondContact O-NH2 2.83Å; T68-R103 PolarHBondContact O-NH1 2.83Å; T68-R103 PolarHBondContact O-NH2 2.93Å; Y73-R103 HydrophobicContact CE1-CB 4.39Å; Y73-R103 HydrophobicContact CE1-CG 4.24Å | ||
| 104 | T | 96.1 | Very high | 93.8 | Very high | 13 Ų | 13 | 64.5 Ų | 64.5 | 8% | 0.08 | 30% | 0.296 | C | S | . | . | trans | -113.7 | -11.1 | -173.7 | 65.2 | 0 | 0 | 0 | 0 | 113.3 | Q56 E102 F106 N197 T198 D199 | Q56-T104 PolarHBondContact NE2-O 3.35Å; E102-T104 HydrophobicContact CG-CG2 4.15Å; T104-F106 VanDerWaalsContact C-N 3.31Å; T104-F106 PolarHBondContact OG1-N 2.87Å; T104-F106 PolarHBondContact OG1-O 2.87Å; T104-N197 HydrophobicContact CG2-CB 4.23Å; T104-T198 VanDerWaalsContact CG2-C 3.49Å; T104-T198 WeakPolarHBondContact CG2-O 3.14Å; T104-T198 WeakPolarHBondContact OG1-CA 3.33Å; T104-D199 PolarHBondContact N-OD1 3.17Å; T104-D199 PolarHBondContact OG1-N 3.31Å; T104-D199 PolarHBondContact OG1-OD1 2.84Å | ||
| 105 | G | 95.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | S | Bend | trans | 80.9 | 8.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q56 L57 L59 Y73 T75 | Q56-G105 WeakPolarHBondContact CA-O 3.22Å; L57-G105 PolarHBondContact N-O 2.93Å; L59-G105 VanDerWaalsContact CD1-CA 3.43Å; L59-G105 VanDerWaalsContact CD1-N 3.31Å; Y73-G105 VanDerWaalsContact OH-CA 3.26Å; Y73-G105 WeakPolarHBondContact OH-CA 3.29Å; Y73-G105 PolarHBondContact OH-N 2.85Å; T75-G105 VanDerWaalsContact CG2-C 3.45Å |
| 106 | F | 96.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -147.6 | 136.2 | 178.6 | -157.6 | -98.4 | 0 | 0 | 0 | 109.8 | Y49 L54 P55 Q56 A76 L78 T104 T198 D199 | Y49-F106 HydrophobicContact CD1-CD1 4.38Å; Y49-F106 AromaticContact CD1-CE1 4Å; Y49-F106 HydrophobicContact CD1-CE1 4Å; Y49-F106 HydrophobicContact CD1-CZ 4.21Å; Y49-F106 HydrophobicContact CD2-CB 4.03Å; Y49-F106 AromaticContact CD2-CD1 3.54Å; Y49-F106 HydrophobicContact CD2-CD1 3.54Å; Y49-F106 HydrophobicContact CD2-CD2 4.14Å; Y49-F106 AromaticContact CD2-CE1 3.99Å; Y49-F106 HydrophobicContact CD2-CE1 3.99Å; Y49-F106 AromaticContact CD2-CG 3.62Å; Y49-F106 HydrophobicContact CD2-CG 3.62Å; Y49-F106 HydrophobicContact CD2-CZ 4.46Å; Y49-F106 HydrophobicContact CE1-CE1 4.38Å; Y49-F106 AromaticContact CE2-CD1 3.87Å; Y49-F106 HydrophobicContact CE2-CD1 3.87Å; Y49-F106 HydrophobicContact CE2-CE1 4.38Å; Y49-F106 HydrophobicContact CE2-CG 4.3Å; Y49-F106 AromaticContact CG-CD1 3.83Å; Y49-F106 HydrophobicContact CG-CD1 3.83Å; Y49-F106 HydrophobicContact CG-CD2 4.12Å; Y49-F106 AromaticContact CG-CE1 3.79Å; Y49-F106 HydrophobicContact CG-CE1 3.79Å; Y49-F106 HydrophobicContact CG-CE2 4.08Å; Y49-F106 AromaticContact CG-CG 3.99Å; Y49-F106 HydrophobicContact CG-CG 3.99Å; Y49-F106 AromaticContact CG-CZ 3.91Å; Y49-F106 HydrophobicContact CG-CZ 3.91Å; L54-F106 HydrophobicContact CB-CE2 3.79Å; L54-F106 HydrophobicContact CB-CZ 4.07Å; L54-F106 HydrophobicContact CD1-CZ 4.08Å; P55-F106 WeakPolarHBondContact O-CD2 3.32Å; Q56-F106 HydrophobicContact CB-CB 4.34Å; Q56-F106 HydrophobicContact CB-CD2 4.15Å; Q56-F106 HydrophobicContact CG-CB 4.06Å; A76-F106 HydrophobicContact CB-CD2 4.33Å; A76-F106 HydrophobicContact CB-CE2 3.86Å; A76-F106 WeakPolarHBondContact O-CD2 3.42Å; L78-F106 HydrophobicContact CG-CE1 4.25Å; L78-F106 HydrophobicContact CG-CZ 4.24Å; T104-F106 VanDerWaalsContact C-N 3.31Å; T104-F106 PolarHBondContact OG1-N 2.87Å; T104-F106 PolarHBondContact OG1-O 2.87Å; F106-T198 HydrophobicContact CD1-CG2 3.95Å; F106-T198 CarbonylContact O-C 3.45Å; F106-T198 WeakPolarHBondContact O-CA 3.29Å; F106-T198 WeakPolarHBondContact O-CB 3.2Å; F106-D199 PolarHBondContact O-N 3.25Å | ||
| 107 | S | 95.8 | Very high | 95 | Very high | 12 Ų | 12 | 52.2 Ų | 52.2 | 8% | 0.084 | 24% | 0.243 | C | C | . | . | trans | -108 | 177.7 | 178.8 | 55.4 | 0 | 0 | 0 | 0 | 112.4 | T75 A76 N77 N200 | T75-S107 PolarHBondContact O-OG 2.93Å; T75-S107 WeakPolarHBondContact OG1-CB 3.25Å; T75-S107 PolarHBondContact OG1-N 2.89Å; T75-S107 PolarHBondContact OG1-OG 2.82Å; A76-S107 PolarHBondContact O-N 3.02Å; A76-S107 PolarHBondContact O-OG 2.89Å; N77-S107 WeakPolarHBondContact CA-O 3.21Å; N77-S107 VanDerWaalsContact CB-O 3.31Å; N77-S107 WeakPolarHBondContact CB-O 3.44Å; S107-N200 WeakPolarHBondContact CA-OD1 3.34Å; S107-N200 WeakPolarHBondContact CB-OD1 3.47Å | ||
| 108 | G | 95.4 | Very high | 95 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | S | Bend | trans | 79.8 | -169.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | E79 W96 G110 T198 N200 | E79-G108 VanDerWaalsContact OE1-CA 3.29Å; E79-G108 WeakPolarHBondContact OE1-CA 3.39Å; E79-G108 WeakPolarHBondContact OE2-CA 3.14Å; W96-G108 VanDerWaalsContact CZ3-N 3.25Å; G108-G110 VanDerWaalsContact C-N 3.31Å; G108-T198 VanDerWaalsContact O-CB 3.25Å; G108-T198 WeakPolarHBondContact O-CB 3.15Å; G108-T198 PolarHBondContact O-OG1 3Å; G108-N200 PolarHBondContact N-OD1 2.97Å |
| 109 | K | 94.4 | Very high | 95.1 | Very high | 72 Ų | 72 | 42.6 Ų | 42.6 | 31% | 0.313 | 20% | 0.204 | S | C | . | . | trans | -77.5 | -23.1 | -178.8 | -159.4 | 177 | 70.1 | 164.2 | 0 | 112.6 | E79 K111 L112 P113 Y115 A201 | E79-K109 WeakPolarHBondContact OE1-CB 3.18Å; E79-K109 PolarHBondContact OE1-N 2.62Å; K109-K111 PolarHBondContact O-N 3.08Å; K109-L112 WeakPolarHBondContact CD-O 3.44Å; K109-L112 WeakPolarHBondContact CE-O 3.44Å; K109-L112 VanDerWaalsContact CG-O 3.3Å; K109-L112 WeakPolarHBondContact CG-O 3.4Å; K109-L112 WeakPolarHBondContact O-CB 3.27Å; K109-L112 PolarHBondContact O-N 3.47Å; K109-L112 VanDerWaalsContact O-N 3.16Å; K109-P113 VanDerWaalsContact CD-O 3.3Å; K109-P113 WeakPolarHBondContact CD-O 3.42Å; K109-P113 WeakPolarHBondContact CE-O 3.34Å; K109-P113 PolarHBondContact NZ-O 3.17Å; K109-Y115 HydrophobicContact CB-CD1 4.26Å; K109-Y115 HydrophobicContact CB-CE1 3.92Å; K109-Y115 HydrophobicContact CB-CE2 4.45Å; K109-A201 HydrophobicContact CG-CB 4.3Å | ||
| 110 | G | 94.1 | Very high | 95.1 | Very high | 11 Ų | 11 | 42.4 Ų | 42.4 | 11% | 0.113 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58 | -135.4 | -172.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y49 G108 L112 | Y49-G110 WeakPolarHBondContact OH-CA 3.4Å; G108-G110 VanDerWaalsContact C-N 3.31Å; G110-L112 VanDerWaalsContact C-N 3.35Å |
| 111 | K | 92.8 | Very high | 95.1 | Very high | 97 Ų | 97 | 34.5 Ų | 34.5 | 42% | 0.422 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 6.1 | 176.4 | -77.6 | 179 | 179.2 | -178 | 0 | 113.8 | Y49 P50 G51 K109 | Y49-K111 HydrophobicContact CE1-CB 4.23Å; Y49-K111 HydrophobicContact CE1-CD 4.39Å; Y49-K111 HydrophobicContact CE1-CG 4.02Å; Y49-K111 PolarHBondContact OH-N 3.49Å; P50-K111 WeakPolarHBondContact O-CD 3.3Å; P50-K111 VanDerWaalsContact O-CE 3.26Å; P50-K111 WeakPolarHBondContact O-CE 3.31Å; P50-K111 PolarHBondContact O-NZ 2.99Å; G51-K111 VanDerWaalsContact CA-NZ 3.27Å; G51-K111 PolarHBondContact O-NZ 3.29Å; K109-K111 PolarHBondContact O-N 3.08Å |
| 112 | L | 95 | Very high | 95.3 | Very high | 4 Ų | 4 | 32.7 Ų | 32.7 | 2% | 0.021 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -80.9 | 152.3 | 178.2 | -62.6 | -179.8 | 0 | 0 | 0 | 111.1 | K109 G110 Q196 A201 L203 | K109-L112 WeakPolarHBondContact CD-O 3.44Å; K109-L112 WeakPolarHBondContact CE-O 3.44Å; K109-L112 VanDerWaalsContact CG-O 3.3Å; K109-L112 WeakPolarHBondContact CG-O 3.4Å; K109-L112 WeakPolarHBondContact O-CB 3.27Å; K109-L112 PolarHBondContact O-N 3.47Å; K109-L112 VanDerWaalsContact O-N 3.16Å; G110-L112 VanDerWaalsContact C-N 3.35Å; L112-Q196 HydrophobicContact CD2-CB 4.25Å; L112-A201 HydrophobicContact CB-CB 4.08Å; L112-A201 VanDerWaalsContact CD1-C 3.47Å; L112-A201 HydrophobicContact CD1-CB 3.81Å; L112-A201 WeakPolarHBondContact CD1-O 3.38Å; L112-A201 HydrophobicContact CG-CB 4.49Å; L112-L203 HydrophobicContact CD1-CD2 4.44Å; L112-L203 HydrophobicContact CD2-CD2 3.71Å |
| 113 | P | 92.9 | Very high | 95.4 | Very high | 76 Ų | 76 | 32.1 Ų | 32.1 | 49% | 0.494 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -60.3 | -42.6 | -180 | -28.1 | 33.9 | 0 | 0 | 0 | 114.8 | K109 N118 | K109-P113 VanDerWaalsContact CD-O 3.3Å; K109-P113 WeakPolarHBondContact CD-O 3.42Å; K109-P113 WeakPolarHBondContact CE-O 3.34Å; K109-P113 PolarHBondContact NZ-O 3.17Å; P113-N118 WeakPolarHBondContact CD-OD1 3.31Å |
| 114 | E | 93.9 | Very high | 95.4 | Very high | 129 Ų | 129 | 30.4 Ų | 30.4 | 60% | 0.603 | 15% | 0.152 | S | C | * | . | S | Bend | trans | -133.9 | 154.2 | -168.3 | -67 | 172.9 | -162.7 | 0 | 0 | 112.2 | N118 A201 | E114-N118 PolarHBondContact N-OD1 2.95Å; E114-N118 PolarHBondContact O-ND2 3.11Å; E114-A201 VanDerWaalsContact O-CB 3.27Å; E114-A201 WeakPolarHBondContact O-CB 3.45Å |
| 115 | Y | 95.2 | Very high | 95.4 | Very high | 79 Ų | 79 | 29.8 Ų | 29.8 | 31% | 0.31 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -68.2 | 146.4 | 165.4 | -70.9 | -77.9 | 0 | 0 | 0 | 109.6 | E79 W96 K109 N200 | E79-Y115 PolarHBondContact OE1-OH 3.07Å; W96-Y115 AromaticContact CD1-CE1 3.92Å; W96-Y115 AromaticContact CD1-CZ 3.9Å; W96-Y115 AromaticContact CD2-CE1 3.97Å; W96-Y115 HydrophobicContact CD2-CE1 3.97Å; W96-Y115 AromaticContact CE2-CE1 3.95Å; W96-Y115 AromaticContact CE2-CZ 3.91Å; W96-Y115 HydrophobicContact CG-CD1 4.48Å; W96-Y115 AromaticContact CG-CE1 3.95Å; W96-Y115 HydrophobicContact CG-CE1 3.95Å; W96-Y115 AromaticContact NE1-CE1 3.93Å; W96-Y115 AromaticContact NE1-CZ 3.61Å; W96-Y115 PolarHBondContact NE1-OH 2.76Å; K109-Y115 HydrophobicContact CB-CD1 4.26Å; K109-Y115 HydrophobicContact CB-CE1 3.92Å; K109-Y115 HydrophobicContact CB-CE2 4.45Å; Y115-N200 CarbonylContact C-O 3.58Å; Y115-N200 HydrophobicContact CD1-CB 3.85Å; Y115-N200 HydrophobicContact CE1-CB 4.19Å |
| 116 | G | 95.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 82 | -151.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | N118 N200 A201 W202 | G116-N118 PolarHBondContact O-ND2 3Å; G116-N200 PolarHBondContact N-O 3.18Å; G116-A201 WeakPolarHBondContact O-CA 3.38Å; G116-W202 PolarHBondContact O-N 3.4Å |
| 117 | P | 94.9 | Very high | 95.3 | Very high | 54 Ų | 54 | 30.6 Ų | 30.6 | 35% | 0.351 | 15% | 0.154 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 129.6 | -178.7 | -19.4 | 31.7 | 0 | 0 | 0 | 113.3 | W202 E204 | P117-W202 CarbonylContact C-O 3.59Å; P117-W202 HydrophobicContact CG-CZ2 3.67Å; P117-E204 HydrophobicContact CB-CB 3.96Å; P117-E204 WeakPolarHBondContact CB-OE2 3.49Å; P117-E204 WeakPolarHBondContact CG-OE2 3.36Å |
| 118 | N | 96 | Very high | 95.1 | Very high | 12 Ų | 12 | 37 Ų | 37 | 6% | 0.064 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 123.2 | 172.9 | -70.8 | -102.7 | 0 | 0 | 0 | 108.9 | P113 E114 G116 A120 W202 L203 E204 | P113-N118 WeakPolarHBondContact CD-OD1 3.31Å; E114-N118 PolarHBondContact N-OD1 2.95Å; E114-N118 PolarHBondContact O-ND2 3.11Å; G116-N118 PolarHBondContact O-ND2 3Å; N118-A120 PolarHBondContact O-N 3.47Å; N118-W202 PolarHBondContact N-O 3.45Å; N118-L203 HydrophobicContact CB-CD2 4.02Å; N118-L203 WeakPolarHBondContact O-CA 3.42Å; N118-E204 PolarHBondContact O-N 3.41Å |
| 119 | K | 95.4 | Very high | 94.7 | Very high | 75 Ų | 75 | 39.3 Ų | 39.3 | 33% | 0.326 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 129 | -171.5 | -66.6 | -59.4 | -174.7 | -177 | 0 | 112.8 | V151 E204 | K119-V151 VanDerWaalsContact CB-O 3.24Å; K119-V151 WeakPolarHBondContact CB-O 3.5Å; K119-V151 PolarHBondContact O-N 3.26Å; K119-V151 VanDerWaalsContact O-O 3.09Å; K119-E204 VanDerWaalsContact CA-O 3.28Å; K119-E204 WeakPolarHBondContact CA-O 3.27Å; K119-E204 IonicContact NZ-OE1 3.96Å; K119-E204 PolarHBondContact NZ-OE1 3.39Å |
| 120 | A | 95.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 157.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | N118 F149 L192 L203 E204 G205 | N118-A120 PolarHBondContact O-N 3.47Å; A120-F149 CarbonylContact C-O 3.37Å; A120-F149 VanDerWaalsContact CA-O 3.3Å; A120-F149 WeakPolarHBondContact CA-O 3.43Å; A120-L192 HydrophobicContact CB-CD1 4.05Å; A120-L203 HydrophobicContact CB-CB 4.31Å; A120-L203 HydrophobicContact CB-CD1 4.06Å; A120-L203 HydrophobicContact CB-CD2 4.25Å; A120-L203 HydrophobicContact CB-CG 4.45Å; A120-E204 PolarHBondContact N-O 3.06Å; A120-G205 WeakPolarHBondContact O-CA 3.45Å |
| 121 | L | 96.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 122.4 | 173.9 | 171 | 59.5 | 0 | 0 | 0 | 108.5 | L123 R148 F149 V151 I156 I161 K164 P206 I208 | L121-L123 HydrophobicContact CD1-CD2 3.86Å; L121-L123 HydrophobicContact CD2-CD2 3.91Å; L121-L123 HydrophobicContact CD2-CG 4.49Å; L121-L123 HydrophobicContact CG-CD2 3.82Å; L121-L123 HydrophobicContact CG-CG 4.29Å; L121-R148 CarbonylContact O-C 3.57Å; L121-R148 VanDerWaalsContact O-CA 3.31Å; L121-R148 WeakPolarHBondContact O-CA 3.23Å; L121-F149 PolarHBondContact N-O 2.84Å; L121-F149 PolarHBondContact O-N 2.76Å; L121-V151 HydrophobicContact CB-CG2 3.99Å; L121-I156 HydrophobicContact CB-CD1 3.93Å; L121-I156 HydrophobicContact CD1-CG2 4.25Å; L121-I156 HydrophobicContact CD2-CG2 4.15Å; L121-I161 HydrophobicContact CD2-CG1 4.1Å; L121-K164 HydrophobicContact CD2-CB 4.2Å; L121-K164 HydrophobicContact CD2-CG 4.04Å; L121-P206 HydrophobicContact CD1-CG 4Å; L121-I208 HydrophobicContact CD1-CB 4.15Å; L121-I208 HydrophobicContact CD1-CG1 3.61Å |
| 122 | Y | 97.2 | Very high | 93.9 | Very high | 4 Ų | 4 | 39.7 Ų | 39.7 | 2% | 0.016 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 134.5 | 168.1 | -78.2 | 15.4 | 0 | 0 | 0 | 109.1 | P147 R148 L192 K193 N194 L203 P206 I207 I208 F251 | Y122-P147 WeakPolarHBondContact CA-O 3.45Å; Y122-R148 HydrophobicContact CD1-CB 3.4Å; Y122-R148 HydrophobicContact CE1-CB 3.37Å; Y122-R148 HydrophobicContact CE1-CG 4.32Å; Y122-R148 HydrophobicContact CG-CB 4.36Å; Y122-L192 HydrophobicContact CD1-CD1 3.92Å; Y122-L192 HydrophobicContact CD2-CB 4.44Å; Y122-L192 HydrophobicContact CD2-CD1 4.49Å; Y122-L192 HydrophobicContact CD2-CD2 3.94Å; Y122-L192 HydrophobicContact CE1-CB 4.41Å; Y122-L192 HydrophobicContact CE1-CD1 4.09Å; Y122-L192 HydrophobicContact CE2-CB 4Å; Y122-L192 HydrophobicContact CE2-CD2 4.32Å; Y122-L192 HydrophobicContact CG-CD1 4.14Å; Y122-L192 HydrophobicContact CG-CD2 4.18Å; Y122-K193 PolarHBondContact OH-O 3.04Å; Y122-N194 WeakPolarHBondContact OH-CB 3.43Å; Y122-N194 PolarHBondContact OH-ND2 3.29Å; Y122-L203 HydrophobicContact CE1-CD1 4.15Å; Y122-P206 PolarHBondContact N-O 3.15Å; Y122-I207 HydrophobicContact CD2-CG1 4.44Å; Y122-I207 WeakPolarHBondContact O-CA 3.44Å; Y122-I208 PolarHBondContact O-N 3.14Å; Y122-F251 HydrophobicContact CD2-CB 4.23Å; Y122-F251 HydrophobicContact CE2-CB 4.36Å |
| 123 | L | 97.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 123.5 | 176.4 | -60.7 | -176.6 | 0 | 0 | 0 | 109.7 | L121 I125 P147 F149 I161 V165 L168 I208 L210 | L121-L123 HydrophobicContact CD1-CD2 3.86Å; L121-L123 HydrophobicContact CD2-CD2 3.91Å; L121-L123 HydrophobicContact CD2-CG 4.49Å; L121-L123 HydrophobicContact CG-CD2 3.82Å; L121-L123 HydrophobicContact CG-CG 4.29Å; L123-I125 HydrophobicContact CB-CD1 4.33Å; L123-I125 HydrophobicContact CB-CG1 4.07Å; L123-I125 HydrophobicContact CD1-CD1 4.31Å; L123-P147 HydrophobicContact CB-CB 4.38Å; L123-P147 PolarHBondContact N-O 2.93Å; L123-P147 WeakPolarHBondContact O-CD 3.35Å; L123-F149 HydrophobicContact CD1-CD2 4.27Å; L123-F149 HydrophobicContact CD1-CE2 3.63Å; L123-F149 HydrophobicContact CD1-CZ 4.49Å; L123-F149 HydrophobicContact CG-CD2 4.38Å; L123-F149 HydrophobicContact CG-CE2 4.07Å; L123-I161 HydrophobicContact CD2-CG2 4.41Å; L123-V165 HydrophobicContact CD1-CG2 3.81Å; L123-L168 HydrophobicContact CD1-CD1 4.32Å; L123-I208 WeakPolarHBondContact CA-O 3.3Å; L123-I208 HydrophobicContact CD2-CB 4.13Å; L123-L210 HydrophobicContact CD1-CD1 4.39Å; L123-L210 HydrophobicContact CD2-CD1 4.15Å |
| 124 | L | 97.4 | Very high | 93.9 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 103.2 | 162.2 | 176.9 | 63.3 | 0 | 0 | 0 | 107.7 | T126 F135 L146 Y187 I208 H209 L210 P244 F247 A248 | L124-T126 HydrophobicContact CD1-CG2 4.28Å; L124-T126 HydrophobicContact CD2-CG2 4.47Å; L124-T126 HydrophobicContact CG-CG2 4.06Å; L124-F135 HydrophobicContact CD1-CB 3.92Å; L124-F135 HydrophobicContact CD1-CD2 4.11Å; L124-F135 HydrophobicContact CD1-CG 4.32Å; L124-L146 HydrophobicContact CB-CD1 4.4Å; L124-L146 HydrophobicContact CD1-CD2 3.82Å; L124-Y187 HydrophobicContact CD2-CD2 4.21Å; L124-Y187 HydrophobicContact CD2-CE2 4.16Å; L124-I208 PolarHBondContact N-O 3.16Å; L124-H209 CarbonylContact O-C 3.38Å; L124-H209 VanDerWaalsContact O-CA 3.3Å; L124-H209 WeakPolarHBondContact O-CA 3.32Å; L124-H209 PolarHBondContact O-CD2 2.68Å; L124-H209 VanDerWaalsContact O-CD2 3.31Å; L124-L210 PolarHBondContact O-N 3.43Å; L124-P244 HydrophobicContact CD2-CB 3.9Å; L124-P244 WeakPolarHBondContact CD2-O 3.17Å; L124-F247 HydrophobicContact CD1-CD1 4.16Å; L124-F247 HydrophobicContact CD1-CE1 4.4Å; L124-A248 HydrophobicContact CD2-CB 4.06Å |
| 125 | I | 96.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 120.2 | 178.5 | -55.6 | 175.2 | 0 | 0 | 0 | 107.7 | L123 F135 I136 L168 L210 F219 W235 | L123-I125 HydrophobicContact CB-CD1 4.33Å; L123-I125 HydrophobicContact CB-CG1 4.07Å; L123-I125 HydrophobicContact CD1-CD1 4.31Å; I125-F135 CarbonylContact O-C 3.58Å; I125-F135 WeakPolarHBondContact O-CA 3.24Å; I125-I136 HydrophobicContact CB-CB 4.36Å; I125-I136 HydrophobicContact CB-CD1 3.86Å; I125-I136 HydrophobicContact CB-CG1 4.16Å; I125-I136 HydrophobicContact CD1-CD1 4.14Å; I125-I136 HydrophobicContact CG2-CD1 3.72Å; I125-I136 HydrophobicContact CG2-CG1 4.3Å; I125-I136 PolarHBondContact O-N 3.08Å; I125-L168 HydrophobicContact CD1-CD1 3.76Å; I125-L210 CarbonylContact C-O 3.55Å; I125-L210 WeakPolarHBondContact CA-O 3.3Å; I125-L210 HydrophobicContact CG1-CB 4.38Å; I125-L210 HydrophobicContact CG1-CD1 4.35Å; I125-F219 HydrophobicContact CD1-CE1 3.95Å; I125-F219 HydrophobicContact CD1-CZ 3.9Å; I125-F219 HydrophobicContact CG2-CD2 4.06Å; I125-F219 HydrophobicContact CG2-CE2 3.59Å; I125-F219 HydrophobicContact CG2-CZ 3.94Å; I125-W235 HydrophobicContact CG2-CH2 4.32Å |
| 126 | T | 95.8 | Very high | 93.8 | Very high | 3 Ų | 3 | 31.4 Ų | 31.4 | 2% | 0.018 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 153.5 | 178.9 | 66.8 | 0 | 0 | 0 | 0 | 112 | L124 T133 K134 F135 H209 L210 H211 D212 P244 | L124-T126 HydrophobicContact CD1-CG2 4.28Å; L124-T126 HydrophobicContact CD2-CG2 4.47Å; L124-T126 HydrophobicContact CG-CG2 4.06Å; T126-T133 HydrophobicContact CG2-CG2 4.4Å; T126-K134 CarbonylContact C-O 3.52Å; T126-K134 WeakPolarHBondContact CA-O 3.24Å; T126-K134 WeakPolarHBondContact CB-O 3.45Å; T126-F135 HydrophobicContact CG2-CB 4.1Å; T126-H209 PolarHBondContact OG1-NE2 3.25Å; T126-L210 PolarHBondContact N-O 3.29Å; T126-H211 CarbonylContact O-C 3.5Å; T126-H211 WeakPolarHBondContact O-CA 3.46Å; T126-H211 PolarHBondContact O-ND1 2.96Å; T126-H211 PolarHBondContact OG1-ND1 2.83Å; T126-D212 PolarHBondContact O-N 3.39Å; T126-P244 HydrophobicContact CG2-CB 4.31Å; T126-P244 HydrophobicContact CG2-CG 4.39Å |
| 127 | S | 94.1 | Very high | 93.7 | Very high | 14 Ų | 14 | 31.5 Ų | 31.5 | 10% | 0.098 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 146.8 | 169.8 | 175.8 | 0 | 0 | 0 | 0 | 108.4 | K134 W235 | S127-K134 PolarHBondContact N-O 3.24Å; S127-K134 PolarHBondContact O-N 3.42Å; S127-W235 VanDerWaalsContact CB-CH2 3.48Å |
| 128 | Y | 91.1 | Very high | 93.5 | Very high | 145 Ų | 145 | 29.9 Ų | 29.9 | 57% | 0.569 | 17% | 0.169 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 120.4 | 176 | -175.6 | -101.5 | 0 | 0 | 0 | 109.2 | G131 | Y128-G131 WeakPolarHBondContact OH-CA 3.48Å |
| 129 | S | 86.7 | Confident | 92.8 | Very high | 49 Ų | 49 | 32.6 Ų | 32.6 | 34% | 0.343 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 135.8 | -178.1 | -179.1 | 0 | 0 | 0 | 0 | 110.2 | G131 T132 | S129-G131 VanDerWaalsContact C-N 3.31Å; S129-G131 PolarHBondContact O-N 2.84Å; S129-T132 PolarHBondContact N-O 3.04Å; S129-T132 PolarHBondContact O-N 2.83Å; S129-T132 VanDerWaalsContact O-O 3.12Å; S129-T132 PolarHBondContact O-OG1 3.17Å |
| 130 | S | 85.1 | Confident | 91.8 | Very high | 115 Ų | 115 | 30.1 Ų | 30.1 | 80% | 0.804 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 44.8 | 177.8 | -52.7 | 0 | 0 | 0 | 0 | 113.7 | T132 | S130-T132 PolarHBondContact O-N 2.97Š|
| 131 | G | 87.4 | Confident | 90.5 | Very high | 43 Ų | 43 | 36.8 Ų | 36.8 | 44% | 0.443 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.1 | -3.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y128 S129 | Y128-G131 WeakPolarHBondContact OH-CA 3.48Å; S129-G131 VanDerWaalsContact C-N 3.31Å; S129-G131 PolarHBondContact O-N 2.84Å |
| 132 | T | 91.7 | Very high | 89.3 | Confident | 31 Ų | 31 | 41.9 Ų | 41.9 | 19% | 0.19 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 138 | -174.2 | 63.7 | 0 | 0 | 0 | 0 | 111.9 | S129 S130 K134 V237 | S129-T132 PolarHBondContact N-O 3.04Å; S129-T132 PolarHBondContact O-N 2.83Å; S129-T132 VanDerWaalsContact O-O 3.12Å; S129-T132 PolarHBondContact O-OG1 3.17Å; S130-T132 PolarHBondContact O-N 2.97Å; T132-K134 WeakPolarHBondContact OG1-CE 3.13Å; T132-V237 HydrophobicContact CG2-CG1 4.47Å |
| 133 | T | 94.1 | Very high | 88.4 | Confident | 39 Ų | 39 | 45.3 Ų | 45.3 | 24% | 0.239 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 123 | 167.4 | -57.7 | 0 | 0 | 0 | 0 | 108.6 | T126 L238 | T126-T133 HydrophobicContact CG2-CG2 4.4Å; T133-L238 HydrophobicContact CG2-CB 4.43Å; T133-L238 HydrophobicContact CG2-CD2 4.28Å; T133-L238 WeakPolarHBondContact O-CB 3.37Å; T133-L238 PolarHBondContact O-N 2.94Å |
| 134 | K | 94.1 | Very high | 87.8 | Confident | 67 Ų | 67 | 49.6 Ų | 49.6 | 29% | 0.291 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 156.9 | 174.4 | -59.2 | 177.5 | -173.1 | 170.8 | 0 | 109.9 | T126 S127 T132 W235 R236 V237 | T126-K134 CarbonylContact C-O 3.52Å; T126-K134 WeakPolarHBondContact CA-O 3.24Å; T126-K134 WeakPolarHBondContact CB-O 3.45Å; S127-K134 PolarHBondContact N-O 3.24Å; S127-K134 PolarHBondContact O-N 3.42Å; T132-K134 WeakPolarHBondContact OG1-CE 3.13Å; K134-W235 HydrophobicContact CB-CB 4.41Å; K134-W235 HydrophobicContact CB-CD2 4.44Å; K134-W235 HydrophobicContact CB-CE3 3.66Å; K134-W235 HydrophobicContact CB-CZ3 4.33Å; K134-R236 CarbonylContact C-O 3.51Å; K134-R236 WeakPolarHBondContact CA-O 3.4Å; K134-V237 HydrophobicContact CG-CG2 4.23Å |
| 135 | F | 94.3 | Very high | 87.5 | Confident | 7 Ų | 7 | 49.8 Ų | 49.8 | 3% | 0.031 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 151.8 | 176 | 68.4 | -75 | 0 | 0 | 0 | 112.2 | L124 I125 T126 V137 I144 W235 R236 L238 F247 | L124-F135 HydrophobicContact CD1-CB 3.92Å; L124-F135 HydrophobicContact CD1-CD2 4.11Å; L124-F135 HydrophobicContact CD1-CG 4.32Å; I125-F135 CarbonylContact O-C 3.58Å; I125-F135 WeakPolarHBondContact O-CA 3.24Å; T126-F135 HydrophobicContact CG2-CB 4.1Å; F135-V137 HydrophobicContact CD2-CG1 3.4Å; F135-V137 HydrophobicContact CE2-CG1 3Å; F135-V137 HydrophobicContact CZ-CG1 3.86Å; F135-I144 HydrophobicContact CE2-CG2 4.45Å; F135-W235 CarbonylContact O-C 3.58Å; F135-W235 WeakPolarHBondContact O-CA 3.05Å; F135-R236 HydrophobicContact CD1-CB 4.26Å; F135-R236 WeakPolarHBondContact CD1-O 3.12Å; F135-R236 HydrophobicContact CE1-CB 3.71Å; F135-R236 HydrophobicContact CZ-CB 3.86Å; F135-R236 PolarHBondContact N-O 3Å; F135-R236 PolarHBondContact O-N 2.74Å; F135-L238 HydrophobicContact CD1-CB 4.01Å; F135-L238 HydrophobicContact CD1-CD1 4.19Å; F135-L238 HydrophobicContact CE1-CB 4.28Å; F135-L238 HydrophobicContact CE1-CD1 4.09Å; F135-F247 HydrophobicContact CD2-CD1 4.41Å; F135-F247 AromaticContact CD2-CE1 3.64Å; F135-F247 HydrophobicContact CD2-CE1 3.64Å; F135-F247 HydrophobicContact CD2-CZ 4.21Å; F135-F247 HydrophobicContact CE1-CE1 4.47Å; F135-F247 HydrophobicContact CE1-CZ 4.4Å; F135-F247 HydrophobicContact CE2-CD1 4.19Å; F135-F247 AromaticContact CE2-CE1 3.15Å; F135-F247 HydrophobicContact CE2-CE1 3.15Å; F135-F247 HydrophobicContact CE2-CE2 4.35Å; F135-F247 AromaticContact CE2-CZ 3.26Å; F135-F247 HydrophobicContact CE2-CZ 3.26Å; F135-F247 HydrophobicContact CG-CE1 4.45Å; F135-F247 AromaticContact CZ-CE1 3.66Å; F135-F247 HydrophobicContact CZ-CE1 3.66Å; F135-F247 HydrophobicContact CZ-CE2 4.1Å; F135-F247 AromaticContact CZ-CZ 3.4Å; F135-F247 HydrophobicContact CZ-CZ 3.4Å |
| 136 | I | 94 | Very high | 87.4 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 130.4 | 179.7 | -59.6 | 179.7 | 0 | 0 | 0 | 110.1 | I125 P147 F219 P223 Y233 W235 | I125-I136 HydrophobicContact CB-CB 4.36Å; I125-I136 HydrophobicContact CB-CD1 3.86Å; I125-I136 HydrophobicContact CB-CG1 4.16Å; I125-I136 HydrophobicContact CD1-CD1 4.14Å; I125-I136 HydrophobicContact CG2-CD1 3.72Å; I125-I136 HydrophobicContact CG2-CG1 4.3Å; I125-I136 PolarHBondContact O-N 3.08Å; I136-P147 HydrophobicContact CB-CG 4.37Å; I136-P147 HydrophobicContact CG2-CG 3.88Å; I136-P147 WeakPolarHBondContact O-CD 3.42Å; I136-F219 HydrophobicContact CD1-CB 3.99Å; I136-F219 HydrophobicContact CD1-CD1 4.05Å; I136-F219 HydrophobicContact CD1-CD2 4.22Å; I136-F219 HydrophobicContact CD1-CG 3.82Å; I136-P223 HydrophobicContact CD1-CG 3.96Å; I136-P223 HydrophobicContact CG1-CG 4.46Å; I136-P223 HydrophobicContact CG2-CG 4.37Å; I136-Y233 HydrophobicContact CG2-CD1 3.84Å; I136-Y233 HydrophobicContact CG2-CG 4.05Å; I136-W235 HydrophobicContact CD1-CH2 3.91Å; I136-W235 HydrophobicContact CD1-CZ2 3.72Å; I136-W235 HydrophobicContact CD1-CZ3 4.48Å; I136-W235 HydrophobicContact CG1-CD2 3.87Å; I136-W235 HydrophobicContact CG1-CE3 3.84Å; I136-W235 HydrophobicContact CG1-CH2 3.66Å; I136-W235 HydrophobicContact CG1-CZ2 3.66Å; I136-W235 HydrophobicContact CG1-CZ3 3.73Å |
| 137 | V | 92.9 | Very high | 87.4 | Confident | 3 Ų | 3 | 49.7 Ų | 49.7 | 2% | 0.018 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 148.2 | 173.8 | -59.1 | 0 | 0 | 0 | 0 | 111.7 | F135 D139 I144 A145 Y233 R234 R236 | F135-V137 HydrophobicContact CD2-CG1 3.4Å; F135-V137 HydrophobicContact CE2-CG1 3Å; F135-V137 HydrophobicContact CZ-CG1 3.86Å; V137-D139 PolarHBondContact O-N 3.15Å; V137-I144 HydrophobicContact CB-CG2 4.06Å; V137-I144 HydrophobicContact CG1-CG2 3.58Å; V137-A145 CarbonylContact C-O 3.53Å; V137-A145 WeakPolarHBondContact CA-O 3.28Å; V137-Y233 VanDerWaalsContact C-CD1 3.49Å; V137-Y233 WeakPolarHBondContact O-CA 3.29Å; V137-Y233 WeakPolarHBondContact O-CD1 3.48Å; V137-R234 HydrophobicContact CG2-CG 4.01Å; V137-R234 PolarHBondContact N-O 2.92Å; V137-R234 PolarHBondContact O-N 2.86Å; V137-R236 HydrophobicContact CG1-CG 4.42Å; V137-R236 HydrophobicContact CG2-CB 4.4Å; V137-R236 HydrophobicContact CG2-CG 3.5Å; V137-R236 VanDerWaalsContact CG2-CG 3.5Å |
| 138 | E | 90.1 | Very high | 87.3 | Confident | 19 Ų | 19 | 49.8 Ų | 49.8 | 9% | 0.089 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 124.7 | 167.6 | -167.3 | -179.4 | 167.4 | 0 | 0 | 108.6 | T140 A145 R148 R231 R232 Y233 | E138-T140 HydrophobicContact CB-CG2 4.35Å; E138-T140 HydrophobicContact CG-CG2 3.94Å; E138-T140 PolarHBondContact O-N 3.28Å; E138-A145 HydrophobicContact CB-CB 4.13Å; E138-A145 PolarHBondContact N-O 2.67Å; E138-R148 IonicContact OE1-NH2 3.78Å; E138-R148 IonicContact OE2-CZ 2.73Å; E138-R148 IonicContact OE2-NE 3.04Å; E138-R148 PolarHBondContact OE2-NE 3.25Å; E138-R148 VanDerWaalsContact OE2-NE 3.11Å; E138-R148 IonicContact OE2-NH2 3.31Å; E138-R148 PolarHBondContact OE2-NH2 3.41Å; E138-R231 WeakPolarHBondContact OE1-CG 3.3Å; E138-R231 IonicContact OE1-NE 3.61Å; E138-R232 CarbonylContact C-O 3.43Å; E138-R232 WeakPolarHBondContact CA-O 3.18Å; E138-Y233 HydrophobicContact CB-CD1 4.05Å; E138-Y233 HydrophobicContact CB-CE1 3.65Å; E138-Y233 HydrophobicContact CG-CE1 4.12Å |
| 139 | D | 81.5 | Confident | 87.4 | Confident | 69 Ų | 69 | 43.2 Ų | 43.2 | 37% | 0.369 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 104.6 | 177.4 | -168.4 | 8.2 | 0 | 0 | 0 | 109.9 | V137 R232 R234 | V137-D139 PolarHBondContact O-N 3.15Å; D139-R232 HydrophobicContact CB-CB 4.32Å; D139-R232 PolarHBondContact N-O 2.89Å; D139-R234 HydrophobicContact CB-CG 4.39Å; D139-R234 VanDerWaalsContact CG-CZ 3.4Å; D139-R234 IonicContact OD1-CZ 2.67Å; D139-R234 IonicContact OD1-NE 3.8Å; D139-R234 PolarHBondContact OD1-NE 2.8Å; D139-R234 IonicContact OD1-NH1 3.48Å; D139-R234 IonicContact OD1-NH2 3.92Å; D139-R234 PolarHBondContact OD1-NH2 2.82Å; D139-R234 IonicContact OD2-CZ 3.82Å; D139-R234 IonicContact OD2-NE 3.05Å; D139-R234 IonicContact OD2-NH1 2.62Å; D139-R234 IonicContact OD2-NH2 3.39Å |
| 140 | T | 75.5 | Confident | 87.7 | Confident | 23 Ų | 23 | 44.7 Ų | 44.7 | 14% | 0.141 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 142.7 | 173.4 | 85.2 | 0 | 0 | 0 | 0 | 108.8 | E138 N142 Y143 | E138-T140 HydrophobicContact CB-CG2 4.35Å; E138-T140 HydrophobicContact CG-CG2 3.94Å; E138-T140 PolarHBondContact O-N 3.28Å; T140-N142 PolarHBondContact O-N 3.42Å; T140-N142 VanDerWaalsContact O-N 3.08Å; T140-Y143 HydrophobicContact CG2-CD1 4.45Å; T140-Y143 HydrophobicContact CG2-CE1 3.87Å; T140-Y143 HydrophobicContact CG2-CE2 4.02Å; T140-Y143 WeakPolarHBondContact OG1-CD1 3.11Å; T140-Y143 WeakPolarHBondContact OG1-CE1 2.91Å; T140-Y143 PolarHBondContact OG1-N 2.91Å; T140-Y143 PolarHBondContact OG1-O 3.5Å |
| 141 | V | 66.7 | Low | 88 | Confident | 140 Ų | 140 | 39.8 Ų | 39.8 | 85% | 0.848 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -31.8 | -172.4 | -176.1 | 0 | 0 | 0 | 0 | 112.5 | ||
| 142 | N | 72 | Confident | 87.9 | Confident | 108 Ų | 108 | 48.2 Ų | 48.2 | 58% | 0.578 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -124.6 | 1.8 | -165.2 | -63.9 | -32.5 | 0 | 0 | 0 | 114.7 | T140 | T140-N142 PolarHBondContact O-N 3.42Å; T140-N142 VanDerWaalsContact O-N 3.08Å |
| 143 | Y | 78.6 | Confident | 87.3 | Confident | 75 Ų | 75 | 52 Ų | 52 | 29% | 0.294 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.9 | 163.3 | 179.6 | 65.3 | -77.8 | 0 | 0 | 0 | 113.3 | T140 A145 R148 R195 | T140-Y143 HydrophobicContact CG2-CD1 4.45Å; T140-Y143 HydrophobicContact CG2-CE1 3.87Å; T140-Y143 HydrophobicContact CG2-CE2 4.02Å; T140-Y143 WeakPolarHBondContact OG1-CD1 3.11Å; T140-Y143 WeakPolarHBondContact OG1-CE1 2.91Å; T140-Y143 PolarHBondContact OG1-N 2.91Å; T140-Y143 PolarHBondContact OG1-O 3.5Å; Y143-A145 HydrophobicContact CD2-CB 4Å; Y143-A145 HydrophobicContact CE2-CB 3.68Å; Y143-R148 PolarHBondContact OH-NH2 3.36Å; Y143-R195 VanDerWaalsContact CD1-NH2 3.3Å |
| 144 | I | 84.6 | Confident | 86.5 | Confident | 90 Ų | 90 | 54.2 Ų | 54.2 | 46% | 0.462 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 132.3 | 170.2 | -60.3 | 175.3 | 0 | 0 | 0 | 107.7 | F135 V137 F247 F251 | F135-I144 HydrophobicContact CE2-CG2 4.45Å; V137-I144 HydrophobicContact CB-CG2 4.06Å; V137-I144 HydrophobicContact CG1-CG2 3.58Å; I144-F247 HydrophobicContact CG2-CZ 4.44Å; I144-F251 HydrophobicContact CG2-CZ 4.13Å |
| 145 | A | 91 | Very high | 86 | Confident | 6 Ų | 6 | 56 Ų | 56 | 5% | 0.05 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 142.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | V137 E138 Y143 | V137-A145 CarbonylContact C-O 3.53Å; V137-A145 WeakPolarHBondContact CA-O 3.28Å; E138-A145 HydrophobicContact CB-CB 4.13Å; E138-A145 PolarHBondContact N-O 2.67Å; Y143-A145 HydrophobicContact CD2-CB 4Å; Y143-A145 HydrophobicContact CE2-CB 3.68Å |
| 146 | L | 94.5 | Very high | 85.8 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | trans | -73.3 | 150.1 | 168.5 | -62.6 | -178.2 | 0 | 0 | 0 | 110.1 | L124 R148 I207 F247 F251 | L124-L146 HydrophobicContact CB-CD1 4.4Å; L124-L146 HydrophobicContact CD1-CD2 3.82Å; L146-R148 WeakPolarHBondContact O-CG 3.44Å; L146-R148 PolarHBondContact O-N 2.97Å; L146-I207 HydrophobicContact CD1-CG2 4.01Å; L146-F247 HydrophobicContact CD2-CE1 4.22Å; L146-F251 HydrophobicContact CD1-CB 4.26Å; L146-F251 HydrophobicContact CD1-CD1 4.41Å; L146-F251 HydrophobicContact CD1-CD2 3.67Å; L146-F251 HydrophobicContact CD1-CE2 4.1Å; L146-F251 HydrophobicContact CD1-CG 3.85Å; L146-F251 HydrophobicContact CD2-CD2 4.5Å; L146-F251 HydrophobicContact CD2-CE2 4.09Å; L146-F251 HydrophobicContact CD2-CZ 4.21Å; L146-F251 HydrophobicContact CG-CD1 4.1Å; L146-F251 HydrophobicContact CG-CD2 3.91Å; L146-F251 HydrophobicContact CG-CE1 4.08Å; L146-F251 HydrophobicContact CG-CE2 3.9Å; L146-F251 HydrophobicContact CG-CG 4.01Å; L146-F251 HydrophobicContact CG-CZ 3.99Å | ||
| 147 | P | 94.6 | Very high | 85.7 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 32% | 0.316 | C | S | . | . | trans | -50.1 | 132.2 | 164.3 | -21.2 | 26.1 | 0 | 0 | 0 | 111.5 | Y122 L123 I136 F149 L168 Y233 | Y122-P147 WeakPolarHBondContact CA-O 3.45Å; L123-P147 HydrophobicContact CB-CB 4.38Å; L123-P147 PolarHBondContact N-O 2.93Å; L123-P147 WeakPolarHBondContact O-CD 3.35Å; I136-P147 HydrophobicContact CB-CG 4.37Å; I136-P147 HydrophobicContact CG2-CG 3.88Å; I136-P147 WeakPolarHBondContact O-CD 3.42Å; P147-F149 HydrophobicContact CB-CE2 4.31Å; P147-L168 HydrophobicContact CB-CD1 3.5Å; P147-L168 HydrophobicContact CB-CD2 4.35Å; P147-L168 HydrophobicContact CG-CD1 3.96Å; P147-Y233 HydrophobicContact CB-CD1 4.48Å; P147-Y233 HydrophobicContact CB-CE1 3.81Å; P147-Y233 HydrophobicContact CG-CD1 3.9Å; P147-Y233 HydrophobicContact CG-CE1 3.68Å | ||
| 148 | R | 93.1 | Very high | 85.8 | Confident | 15 Ų | 15 | 61.4 Ų | 61.4 | 6% | 0.057 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 135.6 | -165.7 | 52.2 | -178.9 | 156.6 | 172.4 | -3.3 | 112.1 | L121 Y122 E138 Y143 L146 W150 N194 R231 | L121-R148 CarbonylContact O-C 3.57Å; L121-R148 VanDerWaalsContact O-CA 3.31Å; L121-R148 WeakPolarHBondContact O-CA 3.23Å; Y122-R148 HydrophobicContact CD1-CB 3.4Å; Y122-R148 HydrophobicContact CE1-CB 3.37Å; Y122-R148 HydrophobicContact CE1-CG 4.32Å; Y122-R148 HydrophobicContact CG-CB 4.36Å; E138-R148 IonicContact OE1-NH2 3.78Å; E138-R148 IonicContact OE2-CZ 2.73Å; E138-R148 IonicContact OE2-NE 3.04Å; E138-R148 PolarHBondContact OE2-NE 3.25Å; E138-R148 VanDerWaalsContact OE2-NE 3.11Å; E138-R148 IonicContact OE2-NH2 3.31Å; E138-R148 PolarHBondContact OE2-NH2 3.41Å; Y143-R148 PolarHBondContact OH-NH2 3.36Å; L146-R148 WeakPolarHBondContact O-CG 3.44Å; L146-R148 PolarHBondContact O-N 2.97Å; R148-W150 HydrophobicContact CB-CZ3 3.81Å; R148-W150 HydrophobicContact CG-CH2 4.05Å; R148-W150 HydrophobicContact CG-CZ3 3.65Å; R148-N194 PolarHBondContact NH1-ND2 2.74Å; R148-N194 PolarHBondContact NH1-OD1 2.76Å; R148-R231 PolarHBondContact O-NH1 2.87Å; R148-R231 VanDerWaalsContact O-NH1 3.17Å |
| 149 | F | 93.8 | Very high | 86 | Confident | 7 Ų | 7 | 63.4 Ų | 63.4 | 3% | 0.031 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 132.2 | -172.2 | -57.4 | -87.2 | 0 | 0 | 0 | 111.8 | A120 L121 L123 P147 K164 K167 L168 H225 | A120-F149 CarbonylContact C-O 3.37Å; A120-F149 VanDerWaalsContact CA-O 3.3Å; A120-F149 WeakPolarHBondContact CA-O 3.43Å; L121-F149 PolarHBondContact N-O 2.84Å; L121-F149 PolarHBondContact O-N 2.76Å; L123-F149 HydrophobicContact CD1-CD2 4.27Å; L123-F149 HydrophobicContact CD1-CE2 3.63Å; L123-F149 HydrophobicContact CD1-CZ 4.49Å; L123-F149 HydrophobicContact CG-CD2 4.38Å; L123-F149 HydrophobicContact CG-CE2 4.07Å; P147-F149 HydrophobicContact CB-CE2 4.31Å; F149-K164 HydrophobicContact CB-CB 4.43Å; F149-K164 HydrophobicContact CB-CD 3.77Å; F149-K164 HydrophobicContact CB-CG 3.86Å; F149-K164 HydrophobicContact CD1-CB 4.04Å; F149-K164 HydrophobicContact CD1-CD 3.72Å; F149-K164 HydrophobicContact CD1-CG 4.12Å; F149-K164 HydrophobicContact CD2-CB 3.78Å; F149-K164 HydrophobicContact CD2-CG 4.14Å; F149-K164 HydrophobicContact CE1-CB 4.21Å; F149-K164 HydrophobicContact CE1-CD 4.48Å; F149-K164 HydrophobicContact CE2-CB 4.01Å; F149-K164 HydrophobicContact CG-CB 3.8Å; F149-K164 HydrophobicContact CG-CD 3.77Å; F149-K164 HydrophobicContact CG-CG 3.76Å; F149-K164 HydrophobicContact CZ-CB 4.19Å; F149-K164 WeakPolarHBondContact CZ-O 3.3Å; F149-K167 HydrophobicContact CD1-CD 4.34Å; F149-K167 HydrophobicContact CE1-CB 4.04Å; F149-K167 HydrophobicContact CE1-CD 4.14Å; F149-L168 HydrophobicContact CE2-CD1 4.13Å; F149-L168 HydrophobicContact CZ-CD1 3.82Å; F149-L168 HydrophobicContact CZ-CD2 4.06Å; F149-L168 HydrophobicContact CZ-CG 3.77Å; F149-H225 AromaticContact CD1-NE2 3.77Å; F149-H225 AromaticContact CE1-CD2 3.95Å; F149-H225 AromaticContact CE1-NE2 3.24Å; F149-H225 WeakPolarHBondContact CE1-NE2 3.33Å |
| 150 | W | 91.2 | Very high | 86.6 | Confident | 80 Ų | 80 | 60.8 Ų | 60.8 | 30% | 0.303 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 136.4 | 177.7 | -63.9 | -157.6 | 0 | 0 | 0 | 106.5 | R148 K164 | R148-W150 HydrophobicContact CB-CZ3 3.81Å; R148-W150 HydrophobicContact CG-CH2 4.05Å; R148-W150 HydrophobicContact CG-CZ3 3.65Å; W150-K164 PolarHBondContact O-NZ 3.49Å |
| 151 | V | 92 | Very high | 87.6 | Confident | 12 Ų | 12 | 59.7 Ų | 59.7 | 7% | 0.073 | 32% | 0.315 | C | S | . | . | trans | -129.9 | 123.6 | -174.3 | -176.2 | 0 | 0 | 0 | 0 | 107.5 | K119 L121 K153 I156 I160 | K119-V151 VanDerWaalsContact CB-O 3.24Å; K119-V151 WeakPolarHBondContact CB-O 3.5Å; K119-V151 PolarHBondContact O-N 3.26Å; K119-V151 VanDerWaalsContact O-O 3.09Å; L121-V151 HydrophobicContact CB-CG2 3.99Å; V151-K153 HydrophobicContact CG1-CB 4.13Å; V151-I156 HydrophobicContact CB-CD1 4.41Å; V151-I156 HydrophobicContact CG1-CD1 4.46Å; V151-I156 HydrophobicContact CG1-CG1 4.45Å; V151-I156 HydrophobicContact CG2-CD1 4.24Å; V151-I160 HydrophobicContact CG1-CD1 4.37Å; V151-I160 HydrophobicContact CG1-CG2 4.22Å; V151-I160 HydrophobicContact CG2-CG2 4.35Å | ||
| 152 | K | 85.8 | Confident | 88.9 | Confident | 221 Ų | 221 | 55.2 Ų | 55.2 | 96% | 0.961 | 28% | 0.284 | S | S | * | . | trans | -80.4 | -24.7 | 176.9 | -66.2 | -173.6 | 176.8 | -174.9 | 0 | 112.8 | ||||
| 153 | K | 79.7 | Confident | 89.9 | Confident | 111 Ų | 111 | 56.7 Ų | 56.7 | 48% | 0.483 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -74.1 | 141 | -178.5 | -75.3 | -177 | 165.8 | -169.4 | 0 | 110.5 | V151 I160 | V151-K153 HydrophobicContact CG1-CB 4.13Å; K153-I160 HydrophobicContact CB-CD1 3.97Å; K153-I160 HydrophobicContact CD-CD1 3.45Å; K153-I160 VanDerWaalsContact CD-CD1 3.45Å; K153-I160 HydrophobicContact CD-CG1 4.2Å; K153-I160 HydrophobicContact CG-CD1 4.3Å |
| 154 | A | 75.7 | Confident | 90.7 | Very high | 85 Ų | 85 | 54.7 Ų | 54.7 | 70% | 0.702 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -66.2 | -39.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 155 | T | 85.3 | Confident | 91.1 | Very high | 103 Ų | 103 | 50.4 Ų | 50.4 | 63% | 0.632 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -102 | 137.3 | 178.9 | 53.2 | 0 | 0 | 0 | 0 | 111 | I160 | T155-I160 VanDerWaalsContact O-CD1 3.25Å; T155-I160 WeakPolarHBondContact O-CD1 3.2Å |
| 156 | I | 89.5 | Confident | 91.1 | Very high | 40 Ų | 40 | 54 Ų | 54 | 21% | 0.205 | 27% | 0.268 | C | S | . | . | trans | -104.6 | 93.4 | 176.6 | -52.2 | -162.1 | 0 | 0 | 0 | 109.2 | L121 V151 I160 I161 P206 | L121-I156 HydrophobicContact CB-CD1 3.93Å; L121-I156 HydrophobicContact CD1-CG2 4.25Å; L121-I156 HydrophobicContact CD2-CG2 4.15Å; V151-I156 HydrophobicContact CB-CD1 4.41Å; V151-I156 HydrophobicContact CG1-CD1 4.46Å; V151-I156 HydrophobicContact CG1-CG1 4.45Å; V151-I156 HydrophobicContact CG2-CD1 4.24Å; I156-I160 HydrophobicContact CG2-CB 4.44Å; I156-I160 HydrophobicContact CG2-CG2 4.15Å; I156-I161 HydrophobicContact CG2-CD1 4.34Å; I156-I161 HydrophobicContact CG2-CG1 3.89Å; I156-P206 HydrophobicContact CB-CG 4.27Å; I156-P206 VanDerWaalsContact CD1-CD 3.47Å; I156-P206 HydrophobicContact CD1-CG 3.69Å; I156-P206 HydrophobicContact CG1-CG 4.31Å | ||
| 157 | D | 92.1 | Very high | 90.9 | Very high | 61 Ų | 61 | 55.6 Ų | 55.6 | 33% | 0.326 | 28% | 0.275 | S | S | . | . | trans | -87.2 | 175 | 178.7 | 63.8 | 38.7 | 0 | 0 | 0 | 112.7 | D159 I160 I161 | D157-D159 VanDerWaalsContact C-N 3.28Å; D157-D159 PolarHBondContact O-N 3.01Å; D157-D159 WeakPolarHBondContact OD1-CA 3.34Å; D157-D159 WeakPolarHBondContact OD1-CB 3.46Å; D157-D159 PolarHBondContact OD1-N 2.87Å; D157-I160 PolarHBondContact O-N 3.16Å; D157-I160 WeakPolarHBondContact OD1-CG1 3.26Å; D157-I160 PolarHBondContact OD1-N 2.9Å; D157-I161 WeakPolarHBondContact O-CG1 3.3Å; D157-I161 PolarHBondContact O-N 2.91Å; D157-I161 VanDerWaalsContact O-N 3.16Å | ||
| 158 | A | 94.5 | Very high | 90.6 | Very high | 24 Ų | 24 | 55.6 Ų | 55.6 | 20% | 0.198 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.2 | -33.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | I161 K162 V181 | A158-I161 PolarHBondContact O-N 3.25Å; A158-K162 VanDerWaalsContact O-CG 3.22Å; A158-K162 WeakPolarHBondContact O-CG 3.15Å; A158-K162 PolarHBondContact O-N 2.84Å; A158-V181 HydrophobicContact CB-CG1 3.77Å |
| 159 | D | 94 | Very high | 89.9 | Confident | 61 Ų | 61 | 57 Ų | 57 | 33% | 0.326 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -67.9 | -42.5 | 179.7 | 171.8 | 58 | 0 | 0 | 0 | 111 | D157 I161 K162 R163 | D157-D159 VanDerWaalsContact C-N 3.28Å; D157-D159 PolarHBondContact O-N 3.01Å; D157-D159 WeakPolarHBondContact OD1-CA 3.34Å; D157-D159 WeakPolarHBondContact OD1-CB 3.46Å; D157-D159 PolarHBondContact OD1-N 2.87Å; D159-I161 VanDerWaalsContact C-N 3.33Å; D159-I161 PolarHBondContact O-N 3.11Å; D159-K162 PolarHBondContact O-N 3.39Å; D159-R163 VanDerWaalsContact O-CG 3.32Å; D159-R163 WeakPolarHBondContact O-CG 3.4Å; D159-R163 PolarHBondContact O-N 3.02Å; D159-R163 IonicContact OD1-CZ 3.57Å; D159-R163 IonicContact OD1-NE 3.02Å; D159-R163 PolarHBondContact OD1-NE 2.83Å; D159-R163 IonicContact OD1-NH2 2.76Å; D159-R163 PolarHBondContact OD1-NH2 3.04Å; D159-R163 IonicContact OD2-CZ 2.95Å; D159-R163 IonicContact OD2-NE 3.05Å; D159-R163 PolarHBondContact OD2-NE 2.92Å; D159-R163 IonicContact OD2-NH1 2.66Å; D159-R163 IonicContact OD2-NH2 3.34Å; D159-R163 PolarHBondContact OD2-NH2 2.74Å |
| 160 | I | 94.2 | Very high | 89.1 | Confident | 13 Ų | 13 | 61.6 Ų | 61.6 | 7% | 0.067 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.7 | -46.8 | 173.7 | -64.8 | 169.9 | 0 | 0 | 0 | 110.2 | V151 K153 T155 I156 D157 K162 R163 K164 | V151-I160 HydrophobicContact CG1-CD1 4.37Å; V151-I160 HydrophobicContact CG1-CG2 4.22Å; V151-I160 HydrophobicContact CG2-CG2 4.35Å; K153-I160 HydrophobicContact CB-CD1 3.97Å; K153-I160 HydrophobicContact CD-CD1 3.45Å; K153-I160 VanDerWaalsContact CD-CD1 3.45Å; K153-I160 HydrophobicContact CD-CG1 4.2Å; K153-I160 HydrophobicContact CG-CD1 4.3Å; T155-I160 VanDerWaalsContact O-CD1 3.25Å; T155-I160 WeakPolarHBondContact O-CD1 3.2Å; I156-I160 HydrophobicContact CG2-CB 4.44Å; I156-I160 HydrophobicContact CG2-CG2 4.15Å; D157-I160 PolarHBondContact O-N 3.16Å; D157-I160 WeakPolarHBondContact OD1-CG1 3.26Å; D157-I160 PolarHBondContact OD1-N 2.9Å; I160-K162 PolarHBondContact O-N 2.98Å; I160-R163 PolarHBondContact O-N 2.86Å; I160-K164 HydrophobicContact CG2-CG 4.33Å; I160-K164 WeakPolarHBondContact O-CG 3.27Å; I160-K164 PolarHBondContact O-N 2.82Å |
| 161 | I | 95.9 | Very high | 88.7 | Confident | 1 Ų | 1 | 65.3 Ų | 65.3 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.3 | -47.9 | -180 | -62.3 | 166.2 | 0 | 0 | 0 | 110.1 | L121 L123 I156 D157 A158 D159 R163 K164 V165 V181 I208 L210 | L121-I161 HydrophobicContact CD2-CG1 4.1Å; L123-I161 HydrophobicContact CD2-CG2 4.41Å; I156-I161 HydrophobicContact CG2-CD1 4.34Å; I156-I161 HydrophobicContact CG2-CG1 3.89Å; D157-I161 WeakPolarHBondContact O-CG1 3.3Å; D157-I161 PolarHBondContact O-N 2.91Å; D157-I161 VanDerWaalsContact O-N 3.16Å; A158-I161 PolarHBondContact O-N 3.25Å; D159-I161 VanDerWaalsContact C-N 3.33Å; D159-I161 PolarHBondContact O-N 3.11Å; I161-R163 PolarHBondContact O-N 3.02Å; I161-K164 PolarHBondContact O-N 2.73Å; I161-K164 VanDerWaalsContact O-N 3.12Å; I161-V165 HydrophobicContact CG2-CG2 4.16Å; I161-V165 VanDerWaalsContact O-CG2 3.27Å; I161-V165 WeakPolarHBondContact O-CG2 3.43Å; I161-V165 PolarHBondContact O-N 3.46Å; I161-V181 HydrophobicContact CB-CG1 4.15Å; I161-V181 HydrophobicContact CB-CG2 4.37Å; I161-V181 HydrophobicContact CG2-CG1 4.12Å; I161-V181 HydrophobicContact CG2-CG2 3.7Å; I161-I208 HydrophobicContact CD1-CG1 4.23Å; I161-I208 HydrophobicContact CD1-CG2 4.33Å; I161-L210 HydrophobicContact CG2-CD1 4.22Å; I161-L210 HydrophobicContact CG2-CD2 4.39Å |
| 162 | K | 95.6 | Very high | 88.6 | Confident | 46 Ų | 46 | 65.1 Ų | 65.1 | 20% | 0.2 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -54.6 | -49.9 | 176.5 | -71.7 | 172.1 | -171.5 | -167.4 | 0 | 111.6 | A158 D159 I160 K164 V165 Q166 I177 N178 V181 | A158-K162 VanDerWaalsContact O-CG 3.22Å; A158-K162 WeakPolarHBondContact O-CG 3.15Å; A158-K162 PolarHBondContact O-N 2.84Å; D159-K162 PolarHBondContact O-N 3.39Å; I160-K162 PolarHBondContact O-N 2.98Å; K162-K164 VanDerWaalsContact C-N 3.29Å; K162-K164 PolarHBondContact O-N 2.97Å; K162-V165 PolarHBondContact O-N 3.42Å; K162-Q166 VanDerWaalsContact O-CG 3.31Å; K162-Q166 WeakPolarHBondContact O-CG 3.34Å; K162-Q166 PolarHBondContact O-N 2.78Å; K162-I177 HydrophobicContact CB-CG2 4.29Å; K162-I177 HydrophobicContact CG-CG2 4.16Å; K162-N178 WeakPolarHBondContact CD-OD1 3.27Å; K162-N178 WeakPolarHBondContact CE-OD1 3.36Å; K162-N178 PolarHBondContact NZ-OD1 3.15Å; K162-V181 HydrophobicContact CG-CB 4.05Å; K162-V181 HydrophobicContact CG-CG1 4.1Å; K162-V181 HydrophobicContact CG-CG2 3.75Å |
| 163 | R | 92.8 | Very high | 88.7 | Confident | 138 Ų | 138 | 58.4 Ų | 58.4 | 52% | 0.521 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.2 | -34.3 | 179.1 | -69.3 | 177.2 | -165 | -171.6 | 6.3 | 112.8 | D159 I160 I161 K167 | D159-R163 VanDerWaalsContact O-CG 3.32Å; D159-R163 WeakPolarHBondContact O-CG 3.4Å; D159-R163 PolarHBondContact O-N 3.02Å; D159-R163 IonicContact OD1-CZ 3.57Å; D159-R163 IonicContact OD1-NE 3.02Å; D159-R163 PolarHBondContact OD1-NE 2.83Å; D159-R163 IonicContact OD1-NH2 2.76Å; D159-R163 PolarHBondContact OD1-NH2 3.04Å; D159-R163 IonicContact OD2-CZ 2.95Å; D159-R163 IonicContact OD2-NE 3.05Å; D159-R163 PolarHBondContact OD2-NE 2.92Å; D159-R163 IonicContact OD2-NH1 2.66Å; D159-R163 IonicContact OD2-NH2 3.34Å; D159-R163 PolarHBondContact OD2-NH2 2.74Å; I160-R163 PolarHBondContact O-N 2.86Å; I161-R163 PolarHBondContact O-N 3.02Å; R163-K167 WeakPolarHBondContact O-CG 3.47Å |
| 164 | K | 93.5 | Very high | 89.2 | Confident | 34 Ų | 34 | 59.3 Ų | 59.3 | 15% | 0.148 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -76.2 | -38.5 | 176.6 | -63.4 | -43.8 | -171.9 | 164.8 | 0 | 112.1 | L121 F149 W150 I160 I161 K162 Q166 K167 | L121-K164 HydrophobicContact CD2-CB 4.2Å; L121-K164 HydrophobicContact CD2-CG 4.04Å; F149-K164 HydrophobicContact CB-CB 4.43Å; F149-K164 HydrophobicContact CB-CD 3.77Å; F149-K164 HydrophobicContact CB-CG 3.86Å; F149-K164 HydrophobicContact CD1-CB 4.04Å; F149-K164 HydrophobicContact CD1-CD 3.72Å; F149-K164 HydrophobicContact CD1-CG 4.12Å; F149-K164 HydrophobicContact CD2-CB 3.78Å; F149-K164 HydrophobicContact CD2-CG 4.14Å; F149-K164 HydrophobicContact CE1-CB 4.21Å; F149-K164 HydrophobicContact CE1-CD 4.48Å; F149-K164 HydrophobicContact CE2-CB 4.01Å; F149-K164 HydrophobicContact CG-CB 3.8Å; F149-K164 HydrophobicContact CG-CD 3.77Å; F149-K164 HydrophobicContact CG-CG 3.76Å; F149-K164 HydrophobicContact CZ-CB 4.19Å; F149-K164 WeakPolarHBondContact CZ-O 3.3Å; W150-K164 PolarHBondContact O-NZ 3.49Å; I160-K164 HydrophobicContact CG2-CG 4.33Å; I160-K164 WeakPolarHBondContact O-CG 3.27Å; I160-K164 PolarHBondContact O-N 2.82Å; I161-K164 PolarHBondContact O-N 2.73Å; I161-K164 VanDerWaalsContact O-N 3.12Å; K162-K164 VanDerWaalsContact C-N 3.29Å; K162-K164 PolarHBondContact O-N 2.97Å; K164-Q166 VanDerWaalsContact C-N 3.33Å; K164-Q166 PolarHBondContact O-N 3.05Å; K164-K167 HydrophobicContact CD-CD 4.24Å; K164-K167 WeakPolarHBondContact O-CB 3.32Å; K164-K167 PolarHBondContact O-N 2.77Å; K164-K167 VanDerWaalsContact O-N 3.09Å |
| 165 | V | 93.8 | Very high | 90 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.2 | -43.1 | 173.8 | 172.6 | 0 | 0 | 0 | 0 | 111 | L123 I161 K162 K167 L168 N169 I177 L210 F219 | L123-V165 HydrophobicContact CD1-CG2 3.81Å; I161-V165 HydrophobicContact CG2-CG2 4.16Å; I161-V165 VanDerWaalsContact O-CG2 3.27Å; I161-V165 WeakPolarHBondContact O-CG2 3.43Å; I161-V165 PolarHBondContact O-N 3.46Å; K162-V165 PolarHBondContact O-N 3.42Å; V165-K167 PolarHBondContact O-N 3.1Å; V165-L168 PolarHBondContact O-N 2.98Å; V165-N169 PolarHBondContact O-N 2.95Å; V165-N169 VanDerWaalsContact O-N 3.15Å; V165-I177 HydrophobicContact CB-CG2 4.24Å; V165-I177 HydrophobicContact CG1-CD1 4.25Å; V165-I177 HydrophobicContact CG1-CG1 4.13Å; V165-I177 HydrophobicContact CG1-CG2 3.98Å; V165-L210 HydrophobicContact CG2-CD1 3.28Å; V165-F219 HydrophobicContact CG1-CE1 3.9Å; V165-F219 HydrophobicContact CG1-CZ 3.72Å |
| 166 | Q | 91.7 | Very high | 90.2 | Very high | 81 Ų | 81 | 56.8 Ų | 56.8 | 38% | 0.379 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -23.9 | 175 | -76.6 | 173.4 | -24 | 0 | 0 | 113.3 | K162 K164 L168 N169 I177 | K162-Q166 VanDerWaalsContact O-CG 3.31Å; K162-Q166 WeakPolarHBondContact O-CG 3.34Å; K162-Q166 PolarHBondContact O-N 2.78Å; K164-Q166 VanDerWaalsContact C-N 3.33Å; K164-Q166 PolarHBondContact O-N 3.05Å; Q166-L168 VanDerWaalsContact C-N 3.35Å; Q166-N169 WeakPolarHBondContact O-CB 3.41Å; Q166-N169 PolarHBondContact O-N 2.72Å; Q166-I177 HydrophobicContact CG-CD1 3.69Å |
| 167 | K | 90.3 | Very high | 90.4 | Very high | 35 Ų | 35 | 55 Ų | 55 | 15% | 0.152 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -20.2 | 178.2 | -64.6 | 176.1 | -172.3 | -150.7 | 0 | 114 | F149 R163 K164 V165 H225 S226 E227 | F149-K167 HydrophobicContact CD1-CD 4.34Å; F149-K167 HydrophobicContact CE1-CB 4.04Å; F149-K167 HydrophobicContact CE1-CD 4.14Å; R163-K167 WeakPolarHBondContact O-CG 3.47Å; K164-K167 HydrophobicContact CD-CD 4.24Å; K164-K167 WeakPolarHBondContact O-CB 3.32Å; K164-K167 PolarHBondContact O-N 2.77Å; K164-K167 VanDerWaalsContact O-N 3.09Å; V165-K167 PolarHBondContact O-N 3.1Å; K167-H225 WeakPolarHBondContact O-CA 3.47Å; K167-S226 VanDerWaalsContact CA-OG 3.25Å; K167-S226 WeakPolarHBondContact CA-OG 3.33Å; K167-S226 WeakPolarHBondContact CB-OG 3.14Å; K167-S226 PolarHBondContact O-N 2.94Å; K167-S226 PolarHBondContact O-OG 2.67Å; K167-E227 HydrophobicContact CD-CG 4.28Å; K167-E227 WeakPolarHBondContact CD-OE2 3.36Å; K167-E227 VanDerWaalsContact CE-OE1 3.3Å; K167-E227 WeakPolarHBondContact CE-OE1 3.32Å; K167-E227 WeakPolarHBondContact CE-OE2 3.29Å; K167-E227 IonicContact NZ-OE1 3.11Å; K167-E227 PolarHBondContact NZ-OE1 2.84Å; K167-E227 IonicContact NZ-OE2 3.79Å; K167-E227 PolarHBondContact NZ-OE2 2.98Å |
| 168 | L | 88.1 | Confident | 90.5 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | -8.9 | 173.7 | -58.4 | 170.7 | 0 | 0 | 0 | 111.8 | L123 I125 P147 F149 V165 Q166 F219 Y233 | L123-L168 HydrophobicContact CD1-CD1 4.32Å; I125-L168 HydrophobicContact CD1-CD1 3.76Å; P147-L168 HydrophobicContact CB-CD1 3.5Å; P147-L168 HydrophobicContact CB-CD2 4.35Å; P147-L168 HydrophobicContact CG-CD1 3.96Å; F149-L168 HydrophobicContact CE2-CD1 4.13Å; F149-L168 HydrophobicContact CZ-CD1 3.82Å; F149-L168 HydrophobicContact CZ-CD2 4.06Å; F149-L168 HydrophobicContact CZ-CG 3.77Å; V165-L168 PolarHBondContact O-N 2.98Å; Q166-L168 VanDerWaalsContact C-N 3.35Å; L168-F219 HydrophobicContact CB-CD1 4.41Å; L168-F219 HydrophobicContact CB-CE1 4.34Å; L168-Y233 HydrophobicContact CD2-CD2 3.85Å; L168-Y233 HydrophobicContact CD2-CE1 4.46Å; L168-Y233 HydrophobicContact CD2-CE2 3.41Å; L168-Y233 VanDerWaalsContact CD2-CE2 3.41Å |
| 169 | N | 79.3 | Confident | 90.5 | Very high | 44 Ų | 44 | 57.3 Ų | 57.3 | 24% | 0.235 | 28% | 0.277 | C | S | . | . | trans | -71 | 137.1 | -172.3 | -178.3 | 27.3 | 0 | 0 | 0 | 110.8 | V165 Q166 Y171 C172 I177 | V165-N169 PolarHBondContact O-N 2.95Å; V165-N169 VanDerWaalsContact O-N 3.15Å; Q166-N169 WeakPolarHBondContact O-CB 3.41Å; Q166-N169 PolarHBondContact O-N 2.72Å; N169-Y171 PolarHBondContact OD1-N 3.24Å; N169-Y171 VanDerWaalsContact OD1-N 3.14Å; N169-C172 PolarHBondContact ND2-O 2.97Å; N169-C172 VanDerWaalsContact OD1-CA 3.32Å; N169-C172 WeakPolarHBondContact OD1-CA 3.4Å; N169-C172 WeakPolarHBondContact OD1-CB 3.26Å; N169-C172 PolarHBondContact OD1-N 2.78Å; N169-C172 PolarHBondContact OD1-SG 3.07Å; N169-I177 HydrophobicContact CB-CD1 4.49Å | ||
| 170 | H | 75.4 | Confident | 90.5 | Very high | 104 Ų | 104 | 54.7 Ų | 54.7 | 48% | 0.481 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -107.1 | -46.9 | 167.4 | -161.2 | 10.8 | 0 | 0 | 0 | 112.3 | ||
| 171 | Y | 84.2 | Confident | 90.6 | Very high | 158 Ų | 158 | 54.1 Ų | 54.1 | 62% | 0.62 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -132.9 | -8.4 | -173.9 | -55.6 | -72.3 | 0 | 0 | 0 | 115.6 | N169 N173 C218 | N169-Y171 PolarHBondContact OD1-N 3.24Å; N169-Y171 VanDerWaalsContact OD1-N 3.14Å; Y171-N173 PolarHBondContact O-N 3.44Å; Y171-C218 CarbonylContact C-O 3.55Å; Y171-C218 WeakPolarHBondContact CA-O 3.43Å; Y171-C218 WeakPolarHBondContact CB-O 3.33Å; Y171-C218 PolarHBondContact N-O 2.55Å |
| 172 | C | 88.6 | Confident | 90.6 | Very high | 8 Ų | 8 | 60.3 Ų | 60.3 | 5% | 0.054 | 29% | 0.289 | C | S | . | . | trans | -57.6 | 125.7 | 178.9 | -49.8 | 0 | 0 | 0 | 0 | 110.8 | N169 E176 I177 C218 | N169-C172 PolarHBondContact ND2-O 2.97Å; N169-C172 VanDerWaalsContact OD1-CA 3.32Å; N169-C172 WeakPolarHBondContact OD1-CA 3.4Å; N169-C172 WeakPolarHBondContact OD1-CB 3.26Å; N169-C172 PolarHBondContact OD1-N 2.78Å; N169-C172 PolarHBondContact OD1-SG 3.07Å; C172-E176 WeakPolarHBondContact CA-OE2 3.44Å; C172-I177 HydrophobicContact CB-CD1 4.02Å; C172-I177 HydrophobicContact CB-CG1 3.75Å; C172-C218 HydrophobicContact CB-CB 3.71Å; C172-C218 WeakPolarHBondContact CB-SG 3.41Å; C172-C218 PolarHBondContact N-O 3.17Å; C172-C218 VanDerWaalsContact N-O 3.15Å; C172-C218 WeakPolarHBondContact SG-CB 3.37Å; C172-C218 PolarHBondContact SG-O 2.65Å; C172-C218 CovalentContact SG-SG 2.04Å; C172-C218 PolarHBondContact SG-SG 3.05Å | ||
| 173 | N | 89 | Confident | 90.7 | Very high | 79 Ų | 79 | 61.4 Ų | 61.4 | 42% | 0.422 | 31% | 0.307 | S | S | . | . | trans | -75.7 | 165.1 | 169.8 | 70.7 | 56.8 | 0 | 0 | 0 | 110.1 | Y171 S175 E176 I177 | Y171-N173 PolarHBondContact O-N 3.44Å; N173-S175 PolarHBondContact O-N 3.25Å; N173-S175 WeakPolarHBondContact OD1-CA 3.45Å; N173-S175 WeakPolarHBondContact OD1-CB 3.2Å; N173-S175 PolarHBondContact OD1-N 2.95Å; N173-E176 VanDerWaalsContact CG-OE2 3.26Å; N173-E176 PolarHBondContact N-OE2 3.39Å; N173-E176 PolarHBondContact ND2-OE2 3.22Å; N173-E176 PolarHBondContact O-N 3.38Å; N173-E176 PolarHBondContact OD1-N 2.76Å; N173-I177 PolarHBondContact O-N 3.36Å | ||
| 174 | Q | 90.4 | Very high | 90.9 | Very high | 130 Ų | 130 | 59.1 Ų | 59.1 | 61% | 0.607 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -65.1 | -28.8 | -176.4 | -165 | 167.8 | 13.7 | 0 | 0 | 113.1 | N178 | Q174-N178 WeakPolarHBondContact O-CB 3.48Å; Q174-N178 PolarHBondContact O-N 3.23Å; Q174-N178 PolarHBondContact O-ND2 3.08Å; Q174-N178 VanDerWaalsContact O-ND2 3.11Å |
| 175 | S | 91.1 | Very high | 91.1 | Very high | 77 Ų | 77 | 61.8 Ų | 61.8 | 54% | 0.538 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66.5 | -46.6 | 176.2 | -168.6 | 0 | 0 | 0 | 0 | 111.4 | N173 I177 N178 V179 | N173-S175 PolarHBondContact O-N 3.25Å; N173-S175 WeakPolarHBondContact OD1-CA 3.45Å; N173-S175 WeakPolarHBondContact OD1-CB 3.2Å; N173-S175 PolarHBondContact OD1-N 2.95Å; S175-I177 PolarHBondContact O-N 2.92Å; S175-N178 WeakPolarHBondContact O-CB 3.49Å; S175-N178 PolarHBondContact O-N 3.4Å; S175-N178 VanDerWaalsContact O-N 3.12Å; S175-V179 WeakPolarHBondContact O-CG2 3.25Å; S175-V179 PolarHBondContact O-N 3.2Å |
| 176 | E | 90.9 | Very high | 91.2 | Very high | 59 Ų | 59 | 65.8 Ų | 65.8 | 28% | 0.276 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -58.8 | -48 | 176.7 | -69.9 | 167.9 | 140.6 | 0 | 0 | 111.1 | C172 N173 N178 V179 M180 | C172-E176 WeakPolarHBondContact CA-OE2 3.44Å; N173-E176 VanDerWaalsContact CG-OE2 3.26Å; N173-E176 PolarHBondContact N-OE2 3.39Å; N173-E176 PolarHBondContact ND2-OE2 3.22Å; N173-E176 PolarHBondContact O-N 3.38Å; N173-E176 PolarHBondContact OD1-N 2.76Å; E176-N178 VanDerWaalsContact C-N 3.3Å; E176-N178 PolarHBondContact O-N 3.25Å; E176-V179 PolarHBondContact O-N 3.21Å; E176-M180 WeakPolarHBondContact O-CG 3.4Å; E176-M180 PolarHBondContact O-N 3.22Å |
| 177 | I | 93 | Very high | 91.4 | Very high | 2 Ų | 2 | 63.3 Ų | 63.3 | 1% | 0.01 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.9 | -41.3 | 176.2 | -62.8 | 176.5 | 0 | 0 | 0 | 111 | K162 V165 Q166 N169 C172 N173 S175 M180 V181 | K162-I177 HydrophobicContact CB-CG2 4.29Å; K162-I177 HydrophobicContact CG-CG2 4.16Å; V165-I177 HydrophobicContact CB-CG2 4.24Å; V165-I177 HydrophobicContact CG1-CD1 4.25Å; V165-I177 HydrophobicContact CG1-CG1 4.13Å; V165-I177 HydrophobicContact CG1-CG2 3.98Å; Q166-I177 HydrophobicContact CG-CD1 3.69Å; N169-I177 HydrophobicContact CB-CD1 4.49Å; C172-I177 HydrophobicContact CB-CD1 4.02Å; C172-I177 HydrophobicContact CB-CG1 3.75Å; N173-I177 PolarHBondContact O-N 3.36Å; S175-I177 PolarHBondContact O-N 2.92Å; I177-M180 HydrophobicContact CB-CE 4.47Å; I177-M180 HydrophobicContact CG1-CE 4.05Å; I177-M180 PolarHBondContact O-N 3.18Å; I177-V181 HydrophobicContact CG2-CG2 4.26Å; I177-V181 WeakPolarHBondContact O-CB 3.27Å; I177-V181 WeakPolarHBondContact O-CG2 3.37Å; I177-V181 PolarHBondContact O-N 3.28Å |
| 178 | N | 94.6 | Very high | 91.7 | Very high | 53 Ų | 53 | 62.3 Ų | 62.3 | 28% | 0.283 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60.8 | -47.1 | 177.7 | -74.6 | -28.4 | 0 | 0 | 0 | 111.4 | K162 Q174 S175 E176 V181 Q182 | K162-N178 WeakPolarHBondContact CD-OD1 3.27Å; K162-N178 WeakPolarHBondContact CE-OD1 3.36Å; K162-N178 PolarHBondContact NZ-OD1 3.15Å; Q174-N178 WeakPolarHBondContact O-CB 3.48Å; Q174-N178 PolarHBondContact O-N 3.23Å; Q174-N178 PolarHBondContact O-ND2 3.08Å; Q174-N178 VanDerWaalsContact O-ND2 3.11Å; S175-N178 WeakPolarHBondContact O-CB 3.49Å; S175-N178 PolarHBondContact O-N 3.4Å; S175-N178 VanDerWaalsContact O-N 3.12Å; E176-N178 VanDerWaalsContact C-N 3.3Å; E176-N178 PolarHBondContact O-N 3.25Å; N178-V181 PolarHBondContact O-N 2.68Å; N178-Q182 VanDerWaalsContact O-CG 3.27Å; N178-Q182 WeakPolarHBondContact O-CG 3.49Å; N178-Q182 PolarHBondContact O-N 2.85Å |
| 179 | V | 93.8 | Very high | 91.9 | Very high | 80 Ų | 80 | 67.3 Ų | 67.3 | 49% | 0.485 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.8 | -47.7 | 177.5 | 172.7 | 0 | 0 | 0 | 0 | 110.7 | S175 E176 V181 Q182 A183 | S175-V179 WeakPolarHBondContact O-CG2 3.25Å; S175-V179 PolarHBondContact O-N 3.2Å; E176-V179 PolarHBondContact O-N 3.21Å; V179-V181 VanDerWaalsContact C-N 3.34Å; V179-V181 PolarHBondContact O-N 2.7Å; V179-Q182 PolarHBondContact O-N 2.73Å; V179-A183 WeakPolarHBondContact O-CB 3.5Å; V179-A183 PolarHBondContact O-N 3.42Å |
| 180 | M | 94.8 | Very high | 92.6 | Very high | 7 Ų | 7 | 65.8 Ų | 65.8 | 3% | 0.034 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -57.3 | -45.7 | 177.4 | -71.4 | -165.6 | -77.7 | 0 | 0 | 112.4 | E176 I177 A183 R184 L210 H211 D212 F219 | E176-M180 WeakPolarHBondContact O-CG 3.4Å; E176-M180 PolarHBondContact O-N 3.22Å; I177-M180 HydrophobicContact CB-CE 4.47Å; I177-M180 HydrophobicContact CG1-CE 4.05Å; I177-M180 PolarHBondContact O-N 3.18Å; M180-A183 PolarHBondContact O-N 3.01Å; M180-R184 PolarHBondContact O-N 2.99Å; M180-R184 VanDerWaalsContact O-N 3.15Å; M180-L210 WeakPolarHBondContact O-CD2 3.32Å; M180-H211 VanDerWaalsContact CG-O 3.3Å; M180-H211 WeakPolarHBondContact CG-O 3.49Å; M180-D212 HydrophobicContact SD-CB 4.02Å; M180-F219 HydrophobicContact CE-CE2 3.71Å; M180-F219 HydrophobicContact CE-CZ 3.8Å; M180-F219 HydrophobicContact SD-CE2 3.82Å; M180-F219 HydrophobicContact SD-CZ 4.27Å |
| 181 | V | 96.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -70.7 | -33.6 | -179.7 | 175.5 | 0 | 0 | 0 | 0 | 111.6 | A158 I161 K162 I177 N178 V179 R184 L210 | A158-V181 HydrophobicContact CB-CG1 3.77Å; I161-V181 HydrophobicContact CB-CG1 4.15Å; I161-V181 HydrophobicContact CB-CG2 4.37Å; I161-V181 HydrophobicContact CG2-CG1 4.12Å; I161-V181 HydrophobicContact CG2-CG2 3.7Å; K162-V181 HydrophobicContact CG-CB 4.05Å; K162-V181 HydrophobicContact CG-CG1 4.1Å; K162-V181 HydrophobicContact CG-CG2 3.75Å; I177-V181 HydrophobicContact CG2-CG2 4.26Å; I177-V181 WeakPolarHBondContact O-CB 3.27Å; I177-V181 WeakPolarHBondContact O-CG2 3.37Å; I177-V181 PolarHBondContact O-N 3.28Å; N178-V181 PolarHBondContact O-N 2.68Å; V179-V181 VanDerWaalsContact C-N 3.34Å; V179-V181 PolarHBondContact O-N 2.7Å; V181-R184 VanDerWaalsContact O-CB 3.29Å; V181-R184 WeakPolarHBondContact O-CB 3.38Å; V181-R184 WeakPolarHBondContact O-CD 3.41Å; V181-R184 WeakPolarHBondContact O-CG 3.18Å; V181-R184 PolarHBondContact O-N 2.57Å; V181-R184 PolarHBondContact O-NH1 2.99Å; V181-L210 HydrophobicContact CG2-CD2 4.36Å |
| 182 | Q | 96.1 | Very high | 94.2 | Very high | 131 Ų | 131 | 53.3 Ų | 53.3 | 61% | 0.612 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -68.5 | -39.2 | 175.2 | -70 | -62.2 | 0.6 | 0 | 0 | 112.1 | N178 V179 R184 | N178-Q182 VanDerWaalsContact O-CG 3.27Å; N178-Q182 WeakPolarHBondContact O-CG 3.49Å; N178-Q182 PolarHBondContact O-N 2.85Å; V179-Q182 PolarHBondContact O-N 2.73Å; Q182-R184 PolarHBondContact O-N 3.07Å |
| 183 | A | 96.3 | Very high | 94.5 | Very high | 70 Ų | 70 | 56.1 Ų | 56.1 | 58% | 0.579 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | 4.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | V179 M180 | V179-A183 WeakPolarHBondContact O-CB 3.5Å; V179-A183 PolarHBondContact O-N 3.42Å; M180-A183 PolarHBondContact O-N 3.01Å |
| 184 | R | 97.1 | Very high | 94.8 | Very high | 89 Ų | 89 | 53.3 Ų | 53.3 | 34% | 0.336 | 28% | 0.281 | S | S | . | . | trans | -57.5 | 151.8 | -175.3 | 76.2 | -172.4 | 177.7 | -68.6 | -3.7 | 112.6 | M180 V181 Q182 I208 H209 L210 | M180-R184 PolarHBondContact O-N 2.99Å; M180-R184 VanDerWaalsContact O-N 3.15Å; V181-R184 VanDerWaalsContact O-CB 3.29Å; V181-R184 WeakPolarHBondContact O-CB 3.38Å; V181-R184 WeakPolarHBondContact O-CD 3.41Å; V181-R184 WeakPolarHBondContact O-CG 3.18Å; V181-R184 PolarHBondContact O-N 2.57Å; V181-R184 PolarHBondContact O-NH1 2.99Å; Q182-R184 PolarHBondContact O-N 3.07Å; R184-I208 HydrophobicContact CB-CG2 3.85Å; R184-I208 HydrophobicContact CG-CG2 4.26Å; R184-H209 WeakPolarHBondContact CA-O 3.05Å; R184-L210 HydrophobicContact CB-CD2 3.54Å | ||
| 185 | Q | 97.5 | Very high | 94.8 | Very high | 90 Ų | 90 | 52.5 Ų | 52.5 | 42% | 0.421 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 136.1 | 172.8 | -62.1 | -176.1 | -22.1 | 0 | 0 | 110.4 | Y187 H209 | Q185-Y187 HydrophobicContact CB-CD1 4Å; Q185-Y187 HydrophobicContact CB-CE1 3.53Å; Q185-Y187 HydrophobicContact CG-CE1 4.41Å; Q185-Y187 PolarHBondContact OE1-OH 3.21Å; Q185-H209 HydrophobicContact CB-CB 4.36Å; Q185-H209 PolarHBondContact N-O 3.4Å; Q185-H209 PolarHBondContact O-N 3.23Å |
| 186 | N | 95.9 | Very high | 94.9 | Very high | 84 Ų | 84 | 50.8 Ų | 50.8 | 45% | 0.449 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 117 | 170 | -172.1 | -3 | 0 | 0 | 0 | 109 | H188 I208 | N186-H188 PolarHBondContact OD1-N 3.31Å; N186-H188 PolarHBondContact OD1-O 2.95Å; N186-I208 HydrophobicContact CB-CD1 4.06Å |
| 187 | Y | 96.8 | Very high | 95.2 | Very high | 29 Ų | 29 | 48 Ų | 48 | 11% | 0.114 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | -18.3 | -179.4 | -74.7 | -8 | 0 | 0 | 0 | 113.9 | L124 Q185 I207 H209 P244 R245 A248 | L124-Y187 HydrophobicContact CD2-CD2 4.21Å; L124-Y187 HydrophobicContact CD2-CE2 4.16Å; Q185-Y187 HydrophobicContact CB-CD1 4Å; Q185-Y187 HydrophobicContact CB-CE1 3.53Å; Q185-Y187 HydrophobicContact CG-CE1 4.41Å; Q185-Y187 PolarHBondContact OE1-OH 3.21Å; Y187-I207 PolarHBondContact N-O 2.62Å; Y187-H209 HydrophobicContact CD1-CB 4.35Å; Y187-H209 HydrophobicContact CD2-CB 3.55Å; Y187-H209 HydrophobicContact CE1-CB 4.1Å; Y187-H209 HydrophobicContact CE2-CB 3.25Å; Y187-H209 AromaticContact CE2-CG 3.42Å; Y187-H209 VanDerWaalsContact CE2-CG 3.42Å; Y187-H209 AromaticContact CE2-ND1 3.88Å; Y187-H209 HydrophobicContact CG-CB 4.11Å; Y187-H209 AromaticContact CZ-CG 3.58Å; Y187-H209 AromaticContact CZ-ND1 3.54Å; Y187-H209 PolarHBondContact OH-ND1 3.39Å; Y187-H209 VanDerWaalsContact OH-ND1 3.07Å; Y187-P244 HydrophobicContact CE2-CB 3.86Å; Y187-R245 HydrophobicContact CD1-CB 4.26Å; Y187-R245 HydrophobicContact CD1-CG 4.13Å; Y187-R245 HydrophobicContact CD2-CB 4.11Å; Y187-R245 HydrophobicContact CD2-CG 4.5Å; Y187-R245 HydrophobicContact CE1-CB 4.13Å; Y187-R245 HydrophobicContact CE1-CG 4.41Å; Y187-R245 HydrophobicContact CE2-CB 3.96Å; Y187-R245 HydrophobicContact CG-CB 4.25Å; Y187-R245 HydrophobicContact CG-CG 4.18Å; Y187-A248 HydrophobicContact CD2-CB 3.76Å; Y187-A248 HydrophobicContact CG-CB 4.36Å |
| 188 | H | 95.7 | Very high | 95.4 | Very high | 14 Ų | 14 | 48 Ų | 48 | 7% | 0.065 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.8 | 144.6 | -179.8 | 177.6 | 72.6 | 0 | 0 | 0 | 109.2 | N186 Y191 P206 I207 I253 | N186-H188 PolarHBondContact OD1-N 3.31Å; N186-H188 PolarHBondContact OD1-O 2.95Å; H188-Y191 PolarHBondContact NE2-O 2.85Å; H188-P206 CarbonylContact O-C 3.39Å; H188-P206 WeakPolarHBondContact O-CA 3.14Å; H188-I207 HydrophobicContact CB-CB 3.99Å; H188-I207 HydrophobicContact CB-CD1 3.76Å; H188-I207 HydrophobicContact CB-CG1 3.91Å; H188-I207 PolarHBondContact O-N 2.93Å; H188-I253 PolarHBondContact CE1-O 2.54Å |
| 189 | D | 93.3 | Very high | 95.5 | Very high | 105 Ų | 105 | 46.4 Ų | 46.4 | 56% | 0.561 | 23% | 0.234 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -139 | 132.2 | 166.1 | -164.1 | 5.8 | 0 | 0 | 0 | 109.1 | G205 | D189-G205 VanDerWaalsContact OD1-C 3.31Å |
| 190 | G | 94.5 | Very high | 95.7 | Very high | 13 Ų | 13 | 43.2 Ų | 43.2 | 13% | 0.134 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 130.6 | -143.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L192 E204 G205 | G190-L192 PolarHBondContact O-N 3.14Å; G190-E204 VanDerWaalsContact C-CG 3.44Å; G190-E204 CarbonylContact O-C 3.5Å; G190-E204 VanDerWaalsContact O-CA 3.27Å; G190-E204 WeakPolarHBondContact O-CA 3.26Å; G190-E204 VanDerWaalsContact O-CG 3.32Å; G190-E204 WeakPolarHBondContact O-CG 3.2Å; G190-G205 PolarHBondContact N-O 2.91Å; G190-G205 PolarHBondContact O-N 3.4Å; G190-G205 VanDerWaalsContact O-O 3.12Å |
| 191 | Y | 96.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 131.3 | -172.9 | -175.5 | -88 | 0 | 0 | 0 | 112.2 | N99 Y101 E102 H188 K193 N197 W202 G252 I253 | N99-Y191 PolarHBondContact ND2-OH 2.82Å; Y101-Y191 VanDerWaalsContact CD1-CB 3.49Å; Y101-Y191 HydrophobicContact CD1-CD2 4.03Å; Y101-Y191 AromaticContact CD1-CG 3.85Å; Y101-Y191 HydrophobicContact CD1-CG 3.85Å; Y101-Y191 AromaticContact CD2-CD2 3.17Å; Y101-Y191 HydrophobicContact CD2-CD2 3.17Å; Y101-Y191 AromaticContact CD2-CE2 3.81Å; Y101-Y191 HydrophobicContact CD2-CE2 3.81Å; Y101-Y191 AromaticContact CD2-CG 3.87Å; Y101-Y191 HydrophobicContact CD2-CG 3.87Å; Y101-Y191 HydrophobicContact CE1-CD2 4.49Å; Y101-Y191 HydrophobicContact CE1-CG 4.3Å; Y101-Y191 AromaticContact CE2-CD2 3.76Å; Y101-Y191 HydrophobicContact CE2-CD2 3.76Å; Y101-Y191 HydrophobicContact CE2-CG 4.35Å; Y101-Y191 HydrophobicContact CG-CD1 4.43Å; Y101-Y191 AromaticContact CG-CD2 3.33Å; Y101-Y191 HydrophobicContact CG-CD2 3.33Å; Y101-Y191 AromaticContact CG-CE2 3.96Å; Y101-Y191 HydrophobicContact CG-CE2 3.96Å; Y101-Y191 AromaticContact CG-CG 3.59Å; Y101-Y191 HydrophobicContact CG-CG 3.59Å; E102-Y191 VanDerWaalsContact CD-OH 3.31Å; E102-Y191 HydrophobicContact CG-CE1 4.27Å; E102-Y191 VanDerWaalsContact CG-OH 3.27Å; E102-Y191 WeakPolarHBondContact CG-OH 3.25Å; E102-Y191 WeakPolarHBondContact OE1-CE1 3.27Å; E102-Y191 VanDerWaalsContact OE1-CZ 3.24Å; E102-Y191 PolarHBondContact OE1-OH 2.81Å; H188-Y191 PolarHBondContact NE2-O 2.85Å; Y191-K193 HydrophobicContact CE1-CG 4.23Å; Y191-N197 VanDerWaalsContact CZ-ND2 3.27Å; Y191-N197 PolarHBondContact OH-ND2 3.45Å; Y191-W202 HydrophobicContact CD2-CB 4.08Å; Y191-W202 AromaticContact CD2-CD1 3.32Å; Y191-W202 AromaticContact CD2-CG 3.75Å; Y191-W202 HydrophobicContact CD2-CG 3.75Å; Y191-W202 AromaticContact CD2-NE1 3.94Å; Y191-W202 HydrophobicContact CE2-CB 3.4Å; Y191-W202 AromaticContact CE2-CD1 3.57Å; Y191-W202 HydrophobicContact CE2-CD2 4.34Å; Y191-W202 AromaticContact CE2-CG 3.47Å; Y191-W202 HydrophobicContact CE2-CG 3.47Å; Y191-W202 VanDerWaalsContact CE2-CG 3.47Å; Y191-G252 CarbonylContact O-C 3.57Å; Y191-G252 VanDerWaalsContact O-CA 3.26Å; Y191-G252 WeakPolarHBondContact O-CA 3.47Å; Y191-I253 WeakPolarHBondContact CB-O 3.11Å; Y191-I253 HydrophobicContact CD1-CB 3.81Å; Y191-I253 HydrophobicContact CD1-CD1 3.65Å; Y191-I253 HydrophobicContact CD1-CG1 3.73Å; Y191-I253 HydrophobicContact CE1-CD1 3.63Å; Y191-I253 HydrophobicContact CE1-CG1 4.17Å; Y191-I253 HydrophobicContact CG-CB 4.31Å; Y191-I253 PolarHBondContact O-N 2.78Å |
| 192 | L | 96.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 122 | 179 | -63.9 | 174 | 0 | 0 | 0 | 109.7 | A120 Y122 G190 N194 N197 L203 G205 I207 | A120-L192 HydrophobicContact CB-CD1 4.05Å; Y122-L192 HydrophobicContact CD1-CD1 3.92Å; Y122-L192 HydrophobicContact CD2-CB 4.44Å; Y122-L192 HydrophobicContact CD2-CD1 4.49Å; Y122-L192 HydrophobicContact CD2-CD2 3.94Å; Y122-L192 HydrophobicContact CE1-CB 4.41Å; Y122-L192 HydrophobicContact CE1-CD1 4.09Å; Y122-L192 HydrophobicContact CE2-CB 4Å; Y122-L192 HydrophobicContact CE2-CD2 4.32Å; Y122-L192 HydrophobicContact CG-CD1 4.14Å; Y122-L192 HydrophobicContact CG-CD2 4.18Å; G190-L192 PolarHBondContact O-N 3.14Å; L192-N194 PolarHBondContact O-N 3.42Å; L192-N197 PolarHBondContact O-ND2 3.17Å; L192-L203 HydrophobicContact CB-CB 3.95Å; L192-L203 PolarHBondContact N-O 2.91Å; L192-G205 WeakPolarHBondContact CD2-O 3.31Å; L192-I207 HydrophobicContact CD2-CD1 4.02Å; L192-I207 HydrophobicContact CD2-CG1 3.54Å |
| 193 | K | 94.4 | Very high | 95.9 | Very high | 67 Ų | 67 | 37.2 Ų | 37.2 | 29% | 0.291 | 19% | 0.186 | S | C | . | . | trans | -65.5 | 129.5 | 177.4 | -64.9 | -174.8 | -168.2 | 158.7 | 0 | 110 | Y122 Y191 I250 F251 G252 I253 | Y122-K193 PolarHBondContact OH-O 3.04Å; Y191-K193 HydrophobicContact CE1-CG 4.23Å; K193-I250 WeakPolarHBondContact CD-O 3.5Å; K193-I250 WeakPolarHBondContact CE-O 3.43Å; K193-I250 PolarHBondContact NZ-O 2.86Å; K193-F251 PolarHBondContact N-O 2.86Å; K193-G252 WeakPolarHBondContact CE-O 3.48Å; K193-I253 HydrophobicContact CD-CG1 4.47Å; K193-I253 VanDerWaalsContact CE-CG1 3.47Å; K193-I253 HydrophobicContact CG-CD1 4.37Å; K193-I253 HydrophobicContact CG-CG1 4.18Å | ||
| 194 | N | 93.9 | Very high | 95.9 | Very high | 19 Ų | 19 | 35.5 Ų | 35.5 | 10% | 0.102 | 17% | 0.166 | C | C | . | . | trans | -153.4 | 144.4 | 176.3 | -162.4 | -62.1 | 0 | 0 | 0 | 110.2 | Y122 R148 L192 Q196 N197 L203 | Y122-N194 WeakPolarHBondContact OH-CB 3.43Å; Y122-N194 PolarHBondContact OH-ND2 3.29Å; R148-N194 PolarHBondContact NH1-ND2 2.74Å; R148-N194 PolarHBondContact NH1-OD1 2.76Å; L192-N194 PolarHBondContact O-N 3.42Å; N194-Q196 PolarHBondContact O-N 2.98Å; N194-Q196 WeakPolarHBondContact OD1-CB 3.4Å; N194-Q196 PolarHBondContact OD1-N 2.82Å; N194-N197 PolarHBondContact N-ND2 2.68Å; N194-N197 WeakPolarHBondContact O-CB 3.33Å; N194-N197 PolarHBondContact O-N 3.21Å; N194-N197 VanDerWaalsContact O-N 3.07Å; N194-L203 HydrophobicContact CB-CD1 3.76Å; N194-L203 HydrophobicContact CB-CG 4.17Å; N194-L203 WeakPolarHBondContact ND2-CD1 3.36Å | ||
| 195 | R | 91 | Very high | 95.8 | Very high | 114 Ų | 114 | 31.4 Ų | 31.4 | 43% | 0.43 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -20.3 | 175.5 | -67.7 | -172.6 | 173 | -165.4 | -3.6 | 113.4 | P50 Y143 N197 | P50-R195 HydrophobicContact CG-CB 3.77Å; Y143-R195 VanDerWaalsContact CD1-NH2 3.3Å; R195-N197 VanDerWaalsContact C-N 3.34Å |
| 196 | Q | 93.7 | Very high | 95.7 | Very high | 41 Ų | 41 | 27.6 Ų | 27.6 | 19% | 0.192 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -11.1 | 175.7 | -65.4 | -177.2 | -37.9 | 0 | 0 | 113.2 | Y49 P50 L112 N194 | Y49-Q196 PolarHBondContact OH-O 2.92Å; P50-Q196 HydrophobicContact CB-CG 4.46Å; P50-Q196 HydrophobicContact CG-CG 4.49Å; L112-Q196 HydrophobicContact CD2-CB 4.25Å; N194-Q196 PolarHBondContact O-N 2.98Å; N194-Q196 WeakPolarHBondContact OD1-CB 3.4Å; N194-Q196 PolarHBondContact OD1-N 2.82Å |
| 197 | N | 96.6 | Very high | 95.8 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.005 | 11% | 0.113 | C | C | . | . | trans | -62.4 | 145.8 | 173.1 | -66 | -5.6 | 0 | 0 | 0 | 109.3 | T104 Y191 L192 N194 R195 A201 W202 L203 | T104-N197 HydrophobicContact CG2-CB 4.23Å; Y191-N197 VanDerWaalsContact CZ-ND2 3.27Å; Y191-N197 PolarHBondContact OH-ND2 3.45Å; L192-N197 PolarHBondContact O-ND2 3.17Å; N194-N197 PolarHBondContact N-ND2 2.68Å; N194-N197 WeakPolarHBondContact O-CB 3.33Å; N194-N197 PolarHBondContact O-N 3.21Å; N194-N197 VanDerWaalsContact O-N 3.07Å; R195-N197 VanDerWaalsContact C-N 3.34Å; N197-A201 WeakPolarHBondContact CA-O 3.44Å; N197-W202 HydrophobicContact CB-CB 4.14Å; N197-W202 WeakPolarHBondContact OD1-CA 3.27Å; N197-L203 PolarHBondContact OD1-N 2.95Å | ||
| 198 | T | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.11 | C | C | . | . | trans | -126.3 | 177.1 | 177.5 | 70.5 | 0 | 0 | 0 | 0 | 109.3 | Y49 N99 T104 F106 G108 N200 A201 | Y49-T198 HydrophobicContact CE2-CG2 3.84Å; N99-T198 PolarHBondContact ND2-O 3.48Å; T104-T198 VanDerWaalsContact CG2-C 3.49Å; T104-T198 WeakPolarHBondContact CG2-O 3.14Å; T104-T198 WeakPolarHBondContact OG1-CA 3.33Å; F106-T198 HydrophobicContact CD1-CG2 3.95Å; F106-T198 CarbonylContact O-C 3.45Å; F106-T198 WeakPolarHBondContact O-CA 3.29Å; F106-T198 WeakPolarHBondContact O-CB 3.2Å; G108-T198 VanDerWaalsContact O-CB 3.25Å; G108-T198 WeakPolarHBondContact O-CB 3.15Å; G108-T198 PolarHBondContact O-OG1 3Å; T198-N200 PolarHBondContact O-N 3.16Å; T198-N200 VanDerWaalsContact O-N 3.17Å; T198-N200 PolarHBondContact OG1-N 3.03Å; T198-N200 VanDerWaalsContact OG1-N 3.14Å; T198-A201 PolarHBondContact N-O 2.69Å; T198-A201 PolarHBondContact OG1-N 2.98Å; T198-A201 PolarHBondContact OG1-O 2.69Å | ||
| 199 | D | 97.4 | Very high | 96 | Very high | 21 Ų | 21 | 22.9 Ų | 22.9 | 11% | 0.112 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -69 | -7 | 173.7 | -64.9 | -11.8 | 0 | 0 | 0 | 112.3 | Y73 R98 N99 T104 F106 | Y73-D199 WeakPolarHBondContact CE1-OD2 3.5Å; Y73-D199 VanDerWaalsContact CZ-OD2 3.29Å; Y73-D199 VanDerWaalsContact OH-CG 3.31Å; Y73-D199 PolarHBondContact OH-OD1 2.81Å; Y73-D199 PolarHBondContact OH-OD2 3.16Å; R98-D199 CarbonylContact C-O 3.6Å; R98-D199 WeakPolarHBondContact CA-O 3.48Å; N99-D199 WeakPolarHBondContact CB-O 3.37Å; N99-D199 PolarHBondContact N-O 2.9Å; T104-D199 PolarHBondContact N-OD1 3.17Å; T104-D199 PolarHBondContact OG1-N 3.31Å; T104-D199 PolarHBondContact OG1-OD1 2.84Å; F106-D199 PolarHBondContact O-N 3.25Å |
| 200 | N | 97.7 | Very high | 96.2 | Very high | 13 Ų | 13 | 17.9 Ų | 17.9 | 7% | 0.07 | 8% | 0.084 | C | C | . | . | S | Bend | trans | -134.2 | -5.7 | -175.9 | -50.5 | 102.5 | 0 | 0 | 0 | 115 | W96 I97 S107 G108 Y115 G116 T198 | W96-N200 HydrophobicContact CB-CB 4.31Å; W96-N200 WeakPolarHBondContact CB-ND2 3.46Å; W96-N200 HydrophobicContact CE3-CB 4.49Å; I97-N200 WeakPolarHBondContact O-CA 3.43Å; I97-N200 WeakPolarHBondContact O-CB 3.34Å; I97-N200 PolarHBondContact O-ND2 3.01Å; S107-N200 WeakPolarHBondContact CA-OD1 3.34Å; S107-N200 WeakPolarHBondContact CB-OD1 3.47Å; G108-N200 PolarHBondContact N-OD1 2.97Å; Y115-N200 CarbonylContact C-O 3.58Å; Y115-N200 HydrophobicContact CD1-CB 3.85Å; Y115-N200 HydrophobicContact CE1-CB 4.19Å; G116-N200 PolarHBondContact N-O 3.18Å; T198-N200 PolarHBondContact O-N 3.16Å; T198-N200 VanDerWaalsContact O-N 3.17Å; T198-N200 PolarHBondContact OG1-N 3.03Å; T198-N200 VanDerWaalsContact OG1-N 3.14Å |
| 201 | A | 97.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 132.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | K109 L112 E114 G116 N197 T198 | K109-A201 HydrophobicContact CG-CB 4.3Å; L112-A201 HydrophobicContact CB-CB 4.08Å; L112-A201 VanDerWaalsContact CD1-C 3.47Å; L112-A201 HydrophobicContact CD1-CB 3.81Å; L112-A201 WeakPolarHBondContact CD1-O 3.38Å; L112-A201 HydrophobicContact CG-CB 4.49Å; E114-A201 VanDerWaalsContact O-CB 3.27Å; E114-A201 WeakPolarHBondContact O-CB 3.45Å; G116-A201 WeakPolarHBondContact O-CA 3.38Å; N197-A201 WeakPolarHBondContact CA-O 3.44Å; T198-A201 PolarHBondContact N-O 2.69Å; T198-A201 PolarHBondContact OG1-N 2.98Å; T198-A201 PolarHBondContact OG1-O 2.69Å |
| 202 | W | 97.5 | Very high | 96.1 | Very high | 11 Ų | 11 | 20.4 Ų | 20.4 | 4% | 0.042 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 163 | -177.4 | 59.7 | 91.3 | 0 | 0 | 0 | 112 | I97 R98 N99 Y101 G116 P117 N118 Y191 N197 | I97-W202 HydrophobicContact CG2-CH2 3.87Å; I97-W202 HydrophobicContact CG2-CZ3 4.18Å; R98-W202 WeakPolarHBondContact O-CH2 3.28Å; N99-W202 HydrophobicContact CB-CD2 4.4Å; N99-W202 HydrophobicContact CB-CE3 3.62Å; N99-W202 HydrophobicContact CB-CZ3 3.82Å; Y101-W202 HydrophobicContact CE2-CZ2 4.28Å; Y101-W202 AromaticContact CE2-NE1 3.7Å; G116-W202 PolarHBondContact O-N 3.4Å; P117-W202 CarbonylContact C-O 3.59Å; P117-W202 HydrophobicContact CG-CZ2 3.67Å; N118-W202 PolarHBondContact N-O 3.45Å; Y191-W202 HydrophobicContact CD2-CB 4.08Å; Y191-W202 AromaticContact CD2-CD1 3.32Å; Y191-W202 AromaticContact CD2-CG 3.75Å; Y191-W202 HydrophobicContact CD2-CG 3.75Å; Y191-W202 AromaticContact CD2-NE1 3.94Å; Y191-W202 HydrophobicContact CE2-CB 3.4Å; Y191-W202 AromaticContact CE2-CD1 3.57Å; Y191-W202 HydrophobicContact CE2-CD2 4.34Å; Y191-W202 AromaticContact CE2-CG 3.47Å; Y191-W202 HydrophobicContact CE2-CG 3.47Å; Y191-W202 VanDerWaalsContact CE2-CG 3.47Å; N197-W202 HydrophobicContact CB-CB 4.14Å; N197-W202 WeakPolarHBondContact OD1-CA 3.27Å |
| 203 | L | 96.4 | Very high | 95.6 | Very high | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 139.1 | 172.1 | -61.2 | -169.3 | 0 | 0 | 0 | 111.7 | L112 N118 A120 Y122 L192 N194 N197 | L112-L203 HydrophobicContact CD1-CD2 4.44Å; L112-L203 HydrophobicContact CD2-CD2 3.71Å; N118-L203 HydrophobicContact CB-CD2 4.02Å; N118-L203 WeakPolarHBondContact O-CA 3.42Å; A120-L203 HydrophobicContact CB-CB 4.31Å; A120-L203 HydrophobicContact CB-CD1 4.06Å; A120-L203 HydrophobicContact CB-CD2 4.25Å; A120-L203 HydrophobicContact CB-CG 4.45Å; Y122-L203 HydrophobicContact CE1-CD1 4.15Å; L192-L203 HydrophobicContact CB-CB 3.95Å; L192-L203 PolarHBondContact N-O 2.91Å; N194-L203 HydrophobicContact CB-CD1 3.76Å; N194-L203 HydrophobicContact CB-CG 4.17Å; N194-L203 WeakPolarHBondContact ND2-CD1 3.36Å; N197-L203 PolarHBondContact OD1-N 2.95Å |
| 204 | E | 95.3 | Very high | 95.1 | Very high | 34 Ų | 34 | 23.4 Ų | 23.4 | 16% | 0.159 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 141.3 | 175.4 | -162 | -173.3 | 103.5 | 0 | 0 | 110.7 | P117 N118 K119 A120 G190 | P117-E204 HydrophobicContact CB-CB 3.96Å; P117-E204 WeakPolarHBondContact CB-OE2 3.49Å; P117-E204 WeakPolarHBondContact CG-OE2 3.36Å; N118-E204 PolarHBondContact O-N 3.41Å; K119-E204 VanDerWaalsContact CA-O 3.28Å; K119-E204 WeakPolarHBondContact CA-O 3.27Å; K119-E204 IonicContact NZ-OE1 3.96Å; K119-E204 PolarHBondContact NZ-OE1 3.39Å; A120-E204 PolarHBondContact N-O 3.06Å; G190-E204 VanDerWaalsContact C-CG 3.44Å; G190-E204 CarbonylContact O-C 3.5Å; G190-E204 VanDerWaalsContact O-CA 3.27Å; G190-E204 WeakPolarHBondContact O-CA 3.26Å; G190-E204 VanDerWaalsContact O-CG 3.32Å; G190-E204 WeakPolarHBondContact O-CG 3.2Å |
| 205 | G | 95.1 | Very high | 94.1 | Very high | 2 Ų | 2 | 30.6 Ų | 30.6 | 2% | 0.021 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 149.4 | -165.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A120 D189 G190 L192 | A120-G205 WeakPolarHBondContact O-CA 3.45Å; D189-G205 VanDerWaalsContact OD1-C 3.31Å; G190-G205 PolarHBondContact N-O 2.91Å; G190-G205 PolarHBondContact O-N 3.4Å; G190-G205 VanDerWaalsContact O-O 3.12Å; L192-G205 WeakPolarHBondContact CD2-O 3.31Å |
| 206 | P | 95.8 | Very high | 93.3 | Very high | 11 Ų | 11 | 37 Ų | 37 | 7% | 0.071 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 152 | -170.7 | 33 | -36.1 | 0 | 0 | 0 | 113.9 | L121 Y122 I156 H188 I208 | L121-P206 HydrophobicContact CD1-CG 4Å; Y122-P206 PolarHBondContact N-O 3.15Å; I156-P206 HydrophobicContact CB-CG 4.27Å; I156-P206 VanDerWaalsContact CD1-CD 3.47Å; I156-P206 HydrophobicContact CD1-CG 3.69Å; I156-P206 HydrophobicContact CG1-CG 4.31Å; H188-P206 CarbonylContact O-C 3.39Å; H188-P206 WeakPolarHBondContact O-CA 3.14Å; P206-I208 HydrophobicContact CB-CD1 3.81Å; P206-I208 HydrophobicContact CB-CG1 4.08Å; P206-I208 HydrophobicContact CG-CD1 4.31Å; P206-I208 HydrophobicContact CG-CG1 4.22Å |
| 207 | I | 98 | Very high | 92.7 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 105.9 | 159.2 | -53.3 | 173.1 | 0 | 0 | 0 | 107.6 | Y122 L146 Y187 H188 L192 A248 F251 | Y122-I207 HydrophobicContact CD2-CG1 4.44Å; Y122-I207 WeakPolarHBondContact O-CA 3.44Å; L146-I207 HydrophobicContact CD1-CG2 4.01Å; Y187-I207 PolarHBondContact N-O 2.62Å; H188-I207 HydrophobicContact CB-CB 3.99Å; H188-I207 HydrophobicContact CB-CD1 3.76Å; H188-I207 HydrophobicContact CB-CG1 3.91Å; H188-I207 PolarHBondContact O-N 2.93Å; L192-I207 HydrophobicContact CD2-CD1 4.02Å; L192-I207 HydrophobicContact CD2-CG1 3.54Å; I207-A248 VanDerWaalsContact CD1-O 3.24Å; I207-A248 WeakPolarHBondContact CD1-O 3.25Å; I207-A248 HydrophobicContact CG2-CB 3.9Å; I207-F251 HydrophobicContact CD1-CB 3.93Å |
| 208 | I | 97.8 | Very high | 92.3 | Very high | 10 Ų | 10 | 36.3 Ų | 36.3 | 5% | 0.051 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 124 | -179.6 | -58.6 | -58.7 | 0 | 0 | 0 | 109.5 | L121 Y122 L123 L124 I161 R184 N186 P206 L210 | L121-I208 HydrophobicContact CD1-CB 4.15Å; L121-I208 HydrophobicContact CD1-CG1 3.61Å; Y122-I208 PolarHBondContact O-N 3.14Å; L123-I208 WeakPolarHBondContact CA-O 3.3Å; L123-I208 HydrophobicContact CD2-CB 4.13Å; L124-I208 PolarHBondContact N-O 3.16Å; I161-I208 HydrophobicContact CD1-CG1 4.23Å; I161-I208 HydrophobicContact CD1-CG2 4.33Å; R184-I208 HydrophobicContact CB-CG2 3.85Å; R184-I208 HydrophobicContact CG-CG2 4.26Å; N186-I208 HydrophobicContact CB-CD1 4.06Å; P206-I208 HydrophobicContact CB-CD1 3.81Å; P206-I208 HydrophobicContact CB-CG1 4.08Å; P206-I208 HydrophobicContact CG-CD1 4.31Å; P206-I208 HydrophobicContact CG-CG1 4.22Å; I208-L210 HydrophobicContact CG2-CD2 4.06Å; I208-L210 HydrophobicContact CG2-CG 4.29Å |
| 209 | H | 98.2 | Very high | 91.9 | Very high | 17 Ų | 17 | 36.3 Ų | 36.3 | 8% | 0.079 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 131.5 | 170.3 | 173.6 | -115.1 | 0 | 0 | 0 | 111.1 | L124 T126 R184 Q185 Y187 | L124-H209 CarbonylContact O-C 3.38Å; L124-H209 VanDerWaalsContact O-CA 3.3Å; L124-H209 WeakPolarHBondContact O-CA 3.32Å; L124-H209 PolarHBondContact O-CD2 2.68Å; L124-H209 VanDerWaalsContact O-CD2 3.31Å; T126-H209 PolarHBondContact OG1-NE2 3.25Å; R184-H209 WeakPolarHBondContact CA-O 3.05Å; Q185-H209 HydrophobicContact CB-CB 4.36Å; Q185-H209 PolarHBondContact N-O 3.4Å; Q185-H209 PolarHBondContact O-N 3.23Å; Y187-H209 HydrophobicContact CD1-CB 4.35Å; Y187-H209 HydrophobicContact CD2-CB 3.55Å; Y187-H209 HydrophobicContact CE1-CB 4.1Å; Y187-H209 HydrophobicContact CE2-CB 3.25Å; Y187-H209 AromaticContact CE2-CG 3.42Å; Y187-H209 VanDerWaalsContact CE2-CG 3.42Å; Y187-H209 AromaticContact CE2-ND1 3.88Å; Y187-H209 HydrophobicContact CG-CB 4.11Å; Y187-H209 AromaticContact CZ-CG 3.58Å; Y187-H209 AromaticContact CZ-ND1 3.54Å; Y187-H209 PolarHBondContact OH-ND1 3.39Å; Y187-H209 VanDerWaalsContact OH-ND1 3.07Å |
| 210 | L | 97.4 | Very high | 91.4 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 136.9 | 174.5 | -58.7 | 174 | 0 | 0 | 0 | 107.8 | L123 L124 I125 T126 I161 V165 M180 V181 R184 I208 | L123-L210 HydrophobicContact CD1-CD1 4.39Å; L123-L210 HydrophobicContact CD2-CD1 4.15Å; L124-L210 PolarHBondContact O-N 3.43Å; I125-L210 CarbonylContact C-O 3.55Å; I125-L210 WeakPolarHBondContact CA-O 3.3Å; I125-L210 HydrophobicContact CG1-CB 4.38Å; I125-L210 HydrophobicContact CG1-CD1 4.35Å; T126-L210 PolarHBondContact N-O 3.29Å; I161-L210 HydrophobicContact CG2-CD1 4.22Å; I161-L210 HydrophobicContact CG2-CD2 4.39Å; V165-L210 HydrophobicContact CG2-CD1 3.28Å; M180-L210 WeakPolarHBondContact O-CD2 3.32Å; V181-L210 HydrophobicContact CG2-CD2 4.36Å; R184-L210 HydrophobicContact CB-CD2 3.54Å; I208-L210 HydrophobicContact CG2-CD2 4.06Å; I208-L210 HydrophobicContact CG2-CG 4.29Å |
| 211 | H | 95.7 | Very high | 90.9 | Very high | 61 Ų | 61 | 39.6 Ų | 39.6 | 28% | 0.282 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 119.4 | 176.7 | -168.1 | 44.8 | 0 | 0 | 0 | 110.6 | T126 M180 N213 | T126-H211 CarbonylContact O-C 3.5Å; T126-H211 WeakPolarHBondContact O-CA 3.46Å; T126-H211 PolarHBondContact O-ND1 2.96Å; T126-H211 PolarHBondContact OG1-ND1 2.83Å; M180-H211 VanDerWaalsContact CG-O 3.3Å; M180-H211 WeakPolarHBondContact CG-O 3.49Å; H211-N213 PolarHBondContact CD2-OD1 3.09Å; H211-N213 PolarHBondContact O-N 3.02Å |
| 212 | D | 93.4 | Very high | 90.3 | Very high | 4 Ų | 4 | 44.6 Ų | 44.6 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 104.9 | 172.3 | -177.7 | 4.3 | 0 | 0 | 0 | 109.7 | T126 M180 S214 G217 C218 F219 | T126-D212 PolarHBondContact O-N 3.39Å; M180-D212 HydrophobicContact SD-CB 4.02Å; D212-S214 VanDerWaalsContact C-N 3.34Å; D212-S214 VanDerWaalsContact CG-OG 3.29Å; D212-S214 VanDerWaalsContact OD1-CB 3.24Å; D212-S214 WeakPolarHBondContact OD1-CB 3.19Å; D212-S214 PolarHBondContact OD1-N 3.47Å; D212-S214 PolarHBondContact OD1-OG 3.4Å; D212-S214 PolarHBondContact OD2-OG 2.87Å; D212-G217 WeakPolarHBondContact OD2-CA 3.43Å; D212-C218 PolarHBondContact OD2-N 2.8Å; D212-F219 HydrophobicContact CB-CD2 4.24Å; D212-F219 HydrophobicContact CB-CE2 4.18Å |
| 213 | N | 87.9 | Confident | 89.8 | Confident | 105 Ų | 105 | 44.1 Ų | 44.1 | 56% | 0.561 | 23% | 0.229 | S | C | * | . | trans | -88.6 | 4.8 | 177.4 | -69.9 | -29.7 | 0 | 0 | 0 | 113.2 | H211 | H211-N213 PolarHBondContact CD2-OD1 3.09Å; H211-N213 PolarHBondContact O-N 3.02Å | ||
| 214 | S | 83.4 | Confident | 89 | Confident | 25 Ų | 25 | 48 Ų | 48 | 18% | 0.175 | 25% | 0.252 | C | S | . | . | trans | -72.6 | 138.2 | -179.4 | 65.4 | 0 | 0 | 0 | 0 | 111.3 | D212 R216 G217 C218 | D212-S214 VanDerWaalsContact C-N 3.34Å; D212-S214 VanDerWaalsContact CG-OG 3.29Å; D212-S214 VanDerWaalsContact OD1-CB 3.24Å; D212-S214 WeakPolarHBondContact OD1-CB 3.19Å; D212-S214 PolarHBondContact OD1-N 3.47Å; D212-S214 PolarHBondContact OD1-OG 3.4Å; D212-S214 PolarHBondContact OD2-OG 2.87Å; S214-R216 PolarHBondContact O-N 3.14Å; S214-R216 VanDerWaalsContact O-N 3.1Å; S214-G217 PolarHBondContact O-N 3.24Å; S214-G217 VanDerWaalsContact OG-CA 3.22Å; S214-G217 WeakPolarHBondContact OG-CA 3.46Å; S214-G217 PolarHBondContact OG-N 2.82Å; S214-C218 PolarHBondContact OG-N 3.39Å | ||
| 215 | D | 72.9 | Confident | 88.5 | Confident | 170 Ų | 170 | 46.5 Ų | 46.5 | 91% | 0.909 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -27.6 | -175.9 | -64.4 | -36.6 | 0 | 0 | 0 | 113.6 | ||
| 216 | R | 73.9 | Confident | 87.9 | Confident | 249 Ų | 249 | 50.1 Ų | 50.1 | 94% | 0.94 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.9 | -2.6 | -176.7 | -63.4 | -173.9 | -179.2 | -176.8 | 0.7 | 114.4 | S214 | S214-R216 PolarHBondContact O-N 3.14Å; S214-R216 VanDerWaalsContact O-N 3.1Å |
| 217 | G | 80.2 | Confident | 87.2 | Confident | 18 Ų | 18 | 55.3 Ų | 55.3 | 19% | 0.186 | 29% | 0.293 | C | S | . | . | trans | 70.9 | 96.4 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | D212 S214 F219 G220 | D212-G217 WeakPolarHBondContact OD2-CA 3.43Å; S214-G217 PolarHBondContact O-N 3.24Å; S214-G217 VanDerWaalsContact OG-CA 3.22Å; S214-G217 WeakPolarHBondContact OG-CA 3.46Å; S214-G217 PolarHBondContact OG-N 2.82Å; G217-F219 PolarHBondContact O-N 2.76Å; G217-G220 PolarHBondContact O-N 3.45Å; G217-G220 VanDerWaalsContact O-N 3.08Å | ||
| 218 | C | 88.3 | Confident | 86.5 | Confident | 9 Ų | 9 | 57.5 Ų | 57.5 | 6% | 0.061 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -16.4 | -170.7 | 73.3 | 0 | 0 | 0 | 0 | 113.6 | Y171 C172 D212 S214 G220 | Y171-C218 CarbonylContact C-O 3.55Å; Y171-C218 WeakPolarHBondContact CA-O 3.43Å; Y171-C218 WeakPolarHBondContact CB-O 3.33Å; Y171-C218 PolarHBondContact N-O 2.55Å; C172-C218 HydrophobicContact CB-CB 3.71Å; C172-C218 WeakPolarHBondContact CB-SG 3.41Å; C172-C218 PolarHBondContact N-O 3.17Å; C172-C218 VanDerWaalsContact N-O 3.15Å; C172-C218 WeakPolarHBondContact SG-CB 3.37Å; C172-C218 PolarHBondContact SG-O 2.65Å; C172-C218 CovalentContact SG-SG 2.04Å; C172-C218 PolarHBondContact SG-SG 3.05Å; D212-C218 PolarHBondContact OD2-N 2.8Å; S214-C218 PolarHBondContact OG-N 3.39Å; C218-G220 VanDerWaalsContact C-N 3.26Å; C218-G220 PolarHBondContact O-N 3.18Å |
| 219 | F | 90.5 | Very high | 85.5 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -13.8 | 172.1 | -68.1 | -85.5 | 0 | 0 | 0 | 113.5 | I125 I136 V165 L168 M180 D212 G217 P223 W235 | I125-F219 HydrophobicContact CD1-CE1 3.95Å; I125-F219 HydrophobicContact CD1-CZ 3.9Å; I125-F219 HydrophobicContact CG2-CD2 4.06Å; I125-F219 HydrophobicContact CG2-CE2 3.59Å; I125-F219 HydrophobicContact CG2-CZ 3.94Å; I136-F219 HydrophobicContact CD1-CB 3.99Å; I136-F219 HydrophobicContact CD1-CD1 4.05Å; I136-F219 HydrophobicContact CD1-CD2 4.22Å; I136-F219 HydrophobicContact CD1-CG 3.82Å; V165-F219 HydrophobicContact CG1-CE1 3.9Å; V165-F219 HydrophobicContact CG1-CZ 3.72Å; L168-F219 HydrophobicContact CB-CD1 4.41Å; L168-F219 HydrophobicContact CB-CE1 4.34Å; M180-F219 HydrophobicContact CE-CE2 3.71Å; M180-F219 HydrophobicContact CE-CZ 3.8Å; M180-F219 HydrophobicContact SD-CE2 3.82Å; M180-F219 HydrophobicContact SD-CZ 4.27Å; D212-F219 HydrophobicContact CB-CD2 4.24Å; D212-F219 HydrophobicContact CB-CE2 4.18Å; G217-F219 PolarHBondContact O-N 2.76Å; F219-P223 HydrophobicContact CB-CG 4.03Å; F219-W235 HydrophobicContact CB-CZ2 4.08Å; F219-W235 HydrophobicContact CD2-CZ2 4.4Å |
| 220 | G | 87.2 | Confident | 84.7 | Confident | 9 Ų | 9 | 66.5 Ų | 66.5 | 9% | 0.093 | 37% | 0.365 | C | S | . | . | trans | 70.8 | 177.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | G217 C218 W235 | G217-G220 PolarHBondContact O-N 3.45Å; G217-G220 VanDerWaalsContact O-N 3.08Å; C218-G220 VanDerWaalsContact C-N 3.26Å; C218-G220 PolarHBondContact O-N 3.18Å; G220-W235 PolarHBondContact O-NE1 2.98Å | ||
| 221 | P | 85.4 | Confident | 84.1 | Confident | 94 Ų | 94 | 68.6 Ų | 68.6 | 61% | 0.61 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -71.9 | -34.2 | -174.6 | 27.2 | -34.1 | 0 | 0 | 0 | 113.8 | W235 | P221-W235 VanDerWaalsContact O-CD1 3.3Š|
| 222 | D | 86.3 | Confident | 83.7 | Confident | 106 Ų | 106 | 74.4 Ų | 74.4 | 57% | 0.567 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -130.4 | 79 | -175.8 | -59.6 | -72.7 | 0 | 0 | 0 | 110.1 | Y233 | D222-Y233 WeakPolarHBondContact CA-O 3.46Š|
| 223 | P | 86.9 | Confident | 83.6 | Confident | 1 Ų | 1 | 74.4 Ų | 74.4 | 1% | 0.006 | 39% | 0.392 | C | S | . | . | trans | -60.6 | 140.4 | -179.2 | -19.1 | 30.5 | 0 | 0 | 0 | 111.1 | I136 F219 Y233 | I136-P223 HydrophobicContact CD1-CG 3.96Å; I136-P223 HydrophobicContact CG1-CG 4.46Å; I136-P223 HydrophobicContact CG2-CG 4.37Å; F219-P223 HydrophobicContact CB-CG 4.03Å; P223-Y233 VanDerWaalsContact O-CB 3.31Å; P223-Y233 WeakPolarHBondContact O-CB 3.38Å; P223-Y233 PolarHBondContact O-N 3.39Å; P223-Y233 VanDerWaalsContact O-N 3.15Å | ||
| 224 | V | 80.3 | Confident | 83.7 | Confident | 81 Ų | 81 | 73 Ų | 73 | 49% | 0.491 | 38% | 0.379 | S | S | . | . | B | Isolated β-bridge | trans | -116 | 136.1 | -178.5 | -177.7 | 0 | 0 | 0 | 0 | 109.8 | S226 | V224-S226 PolarHBondContact O-N 2.98Å |
| 225 | H | 84.3 | Confident | 84.1 | Confident | 4 Ų | 4 | 74.1 Ų | 74.1 | 2% | 0.019 | 38% | 0.379 | C | S | . | . | trans | -73.8 | 110 | 170.6 | -157.1 | -70 | 0 | 0 | 0 | 110.4 | F149 K167 E227 V228 R231 Y233 | F149-H225 AromaticContact CD1-NE2 3.77Å; F149-H225 AromaticContact CE1-CD2 3.95Å; F149-H225 AromaticContact CE1-NE2 3.24Å; F149-H225 WeakPolarHBondContact CE1-NE2 3.33Å; K167-H225 WeakPolarHBondContact O-CA 3.47Å; H225-E227 VanDerWaalsContact C-N 3.26Å; H225-E227 PolarHBondContact ND1-N 2.76Å; H225-E227 VanDerWaalsContact ND1-N 3.17Å; H225-E227 PolarHBondContact O-N 2.99Å; H225-V228 HydrophobicContact CB-CB 4.25Å; H225-V228 WeakPolarHBondContact CB-O 3.25Å; H225-V228 PolarHBondContact ND1-N 2.86Å; H225-V228 VanDerWaalsContact ND1-N 3.12Å; H225-V228 CarbonylContact O-C 3.47Å; H225-V228 PolarHBondContact O-N 3.12Å; H225-V228 VanDerWaalsContact O-N 3.16Å; H225-R231 HydrophobicContact CB-CB 4.2Å; H225-Y233 HydrophobicContact CB-CE2 4Å | ||
| 226 | S | 81.3 | Confident | 85 | Confident | 77 Ų | 77 | 71.2 Ų | 71.2 | 54% | 0.538 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | -40.1 | 177.7 | 49.5 | 0 | 0 | 0 | 0 | 114.1 | K167 V224 | K167-S226 VanDerWaalsContact CA-OG 3.25Å; K167-S226 WeakPolarHBondContact CA-OG 3.33Å; K167-S226 WeakPolarHBondContact CB-OG 3.14Å; K167-S226 PolarHBondContact O-N 2.94Å; K167-S226 PolarHBondContact O-OG 2.67Å; V224-S226 PolarHBondContact O-N 2.98Å |
| 227 | E | 81.7 | Confident | 86 | Confident | 120 Ų | 120 | 63.3 Ų | 63.3 | 56% | 0.561 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -13.8 | -179.1 | -55.1 | 179.3 | 155.4 | 0 | 0 | 115.2 | K167 H225 | K167-E227 HydrophobicContact CD-CG 4.28Å; K167-E227 WeakPolarHBondContact CD-OE2 3.36Å; K167-E227 VanDerWaalsContact CE-OE1 3.3Å; K167-E227 WeakPolarHBondContact CE-OE1 3.32Å; K167-E227 WeakPolarHBondContact CE-OE2 3.29Å; K167-E227 IonicContact NZ-OE1 3.11Å; K167-E227 PolarHBondContact NZ-OE1 2.84Å; K167-E227 IonicContact NZ-OE2 3.79Å; K167-E227 PolarHBondContact NZ-OE2 2.98Å; H225-E227 VanDerWaalsContact C-N 3.26Å; H225-E227 PolarHBondContact ND1-N 2.76Å; H225-E227 VanDerWaalsContact ND1-N 3.17Å; H225-E227 PolarHBondContact O-N 2.99Å |
| 228 | V | 83.2 | Confident | 86.6 | Confident | 46 Ų | 46 | 62.7 Ų | 62.7 | 28% | 0.279 | 33% | 0.327 | S | S | . | . | trans | -137.4 | 70.5 | -176.6 | -168.1 | 0 | 0 | 0 | 0 | 108 | H225 T230 R231 | H225-V228 HydrophobicContact CB-CB 4.25Å; H225-V228 WeakPolarHBondContact CB-O 3.25Å; H225-V228 PolarHBondContact ND1-N 2.86Å; H225-V228 VanDerWaalsContact ND1-N 3.12Å; H225-V228 CarbonylContact O-C 3.47Å; H225-V228 PolarHBondContact O-N 3.12Å; H225-V228 VanDerWaalsContact O-N 3.16Å; V228-T230 PolarHBondContact O-N 3.32Å; V228-R231 HydrophobicContact CB-CG 4.25Å; V228-R231 HydrophobicContact CG1-CB 4.43Å; V228-R231 HydrophobicContact CG1-CG 3.76Å; V228-R231 WeakPolarHBondContact O-CB 3.42Å; V228-R231 PolarHBondContact O-N 3.11Å | ||
| 229 | P | 77.3 | Confident | 86.8 | Confident | 89 Ų | 89 | 65.5 Ų | 65.5 | 58% | 0.578 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -17.4 | -169.8 | -24.6 | 35.4 | 0 | 0 | 0 | 114.2 | R231 | P229-R231 VanDerWaalsContact C-N 3.27Å; P229-R231 PolarHBondContact O-N 2.81Å |
| 230 | T | 81.9 | Confident | 86.8 | Confident | 127 Ų | 127 | 72.8 Ų | 72.8 | 78% | 0.779 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -21.8 | 173.3 | 55.2 | 0 | 0 | 0 | 0 | 113.1 | V228 R232 | V228-T230 PolarHBondContact O-N 3.32Å; T230-R232 PolarHBondContact O-N 2.79Å |
| 231 | R | 84.9 | Confident | 87 | Confident | 46 Ų | 46 | 78.7 Ų | 78.7 | 17% | 0.174 | 41% | 0.413 | C | S | . | . | trans | -82.4 | 107 | 171.8 | -68.6 | -173.7 | 179.6 | 174.3 | 0.8 | 109.6 | E138 R148 H225 V228 P229 Y233 | E138-R231 WeakPolarHBondContact OE1-CG 3.3Å; E138-R231 IonicContact OE1-NE 3.61Å; R148-R231 PolarHBondContact O-NH1 2.87Å; R148-R231 VanDerWaalsContact O-NH1 3.17Å; H225-R231 HydrophobicContact CB-CB 4.2Å; V228-R231 HydrophobicContact CB-CG 4.25Å; V228-R231 HydrophobicContact CG1-CB 4.43Å; V228-R231 HydrophobicContact CG1-CG 3.76Å; V228-R231 WeakPolarHBondContact O-CB 3.42Å; V228-R231 PolarHBondContact O-N 3.11Å; P229-R231 VanDerWaalsContact C-N 3.27Å; P229-R231 PolarHBondContact O-N 2.81Å; R231-Y233 HydrophobicContact CB-CE2 4.07Å | ||
| 232 | R | 85.8 | Confident | 87.4 | Confident | 182 Ų | 182 | 76.3 Ų | 76.3 | 69% | 0.687 | 40% | 0.397 | S | S | * | . | B | Isolated β-bridge | trans | -92.6 | 139.8 | 173.3 | -62.4 | -172.9 | 176.1 | -171.5 | -1.6 | 109.5 | E138 D139 T230 | E138-R232 CarbonylContact C-O 3.43Å; E138-R232 WeakPolarHBondContact CA-O 3.18Å; D139-R232 HydrophobicContact CB-CB 4.32Å; D139-R232 PolarHBondContact N-O 2.89Å; T230-R232 PolarHBondContact O-N 2.79Å |
| 233 | Y | 91.2 | Very high | 87.9 | Confident | 4 Ų | 4 | 74.5 Ų | 74.5 | 2% | 0.016 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 153.4 | 173.1 | -61.7 | -89.6 | 0 | 0 | 0 | 111 | I136 V137 E138 P147 L168 D222 P223 H225 R231 | I136-Y233 HydrophobicContact CG2-CD1 3.84Å; I136-Y233 HydrophobicContact CG2-CG 4.05Å; V137-Y233 VanDerWaalsContact C-CD1 3.49Å; V137-Y233 WeakPolarHBondContact O-CA 3.29Å; V137-Y233 WeakPolarHBondContact O-CD1 3.48Å; E138-Y233 HydrophobicContact CB-CD1 4.05Å; E138-Y233 HydrophobicContact CB-CE1 3.65Å; E138-Y233 HydrophobicContact CG-CE1 4.12Å; P147-Y233 HydrophobicContact CB-CD1 4.48Å; P147-Y233 HydrophobicContact CB-CE1 3.81Å; P147-Y233 HydrophobicContact CG-CD1 3.9Å; P147-Y233 HydrophobicContact CG-CE1 3.68Å; L168-Y233 HydrophobicContact CD2-CD2 3.85Å; L168-Y233 HydrophobicContact CD2-CE1 4.46Å; L168-Y233 HydrophobicContact CD2-CE2 3.41Å; L168-Y233 VanDerWaalsContact CD2-CE2 3.41Å; D222-Y233 WeakPolarHBondContact CA-O 3.46Å; P223-Y233 VanDerWaalsContact O-CB 3.31Å; P223-Y233 WeakPolarHBondContact O-CB 3.38Å; P223-Y233 PolarHBondContact O-N 3.39Å; P223-Y233 VanDerWaalsContact O-N 3.15Å; H225-Y233 HydrophobicContact CB-CE2 4Å; R231-Y233 HydrophobicContact CB-CE2 4.07Å |
| 234 | R | 90.9 | Very high | 88.3 | Confident | 76 Ų | 76 | 75.9 Ų | 75.9 | 29% | 0.287 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 157.7 | 175 | 59.2 | -179.3 | 168 | 179.7 | -9.1 | 110.9 | V137 D139 | V137-R234 HydrophobicContact CG2-CG 4.01Å; V137-R234 PolarHBondContact N-O 2.92Å; V137-R234 PolarHBondContact O-N 2.86Å; D139-R234 HydrophobicContact CB-CG 4.39Å; D139-R234 VanDerWaalsContact CG-CZ 3.4Å; D139-R234 IonicContact OD1-CZ 2.67Å; D139-R234 IonicContact OD1-NE 3.8Å; D139-R234 PolarHBondContact OD1-NE 2.8Å; D139-R234 IonicContact OD1-NH1 3.48Å; D139-R234 IonicContact OD1-NH2 3.92Å; D139-R234 PolarHBondContact OD1-NH2 2.82Å; D139-R234 IonicContact OD2-CZ 3.82Å; D139-R234 IonicContact OD2-NE 3.05Å; D139-R234 IonicContact OD2-NH1 2.62Å; D139-R234 IonicContact OD2-NH2 3.39Å |
| 235 | W | 91.6 | Very high | 89.1 | Confident | 48 Ų | 48 | 77.3 Ų | 77.3 | 18% | 0.182 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 136.1 | 170.6 | -67.6 | 94.3 | 0 | 0 | 0 | 111.5 | I125 S127 K134 F135 I136 F219 G220 P221 | I125-W235 HydrophobicContact CG2-CH2 4.32Å; S127-W235 VanDerWaalsContact CB-CH2 3.48Å; K134-W235 HydrophobicContact CB-CB 4.41Å; K134-W235 HydrophobicContact CB-CD2 4.44Å; K134-W235 HydrophobicContact CB-CE3 3.66Å; K134-W235 HydrophobicContact CB-CZ3 4.33Å; F135-W235 CarbonylContact O-C 3.58Å; F135-W235 WeakPolarHBondContact O-CA 3.05Å; I136-W235 HydrophobicContact CD1-CH2 3.91Å; I136-W235 HydrophobicContact CD1-CZ2 3.72Å; I136-W235 HydrophobicContact CD1-CZ3 4.48Å; I136-W235 HydrophobicContact CG1-CD2 3.87Å; I136-W235 HydrophobicContact CG1-CE3 3.84Å; I136-W235 HydrophobicContact CG1-CH2 3.66Å; I136-W235 HydrophobicContact CG1-CZ2 3.66Å; I136-W235 HydrophobicContact CG1-CZ3 3.73Å; F219-W235 HydrophobicContact CB-CZ2 4.08Å; F219-W235 HydrophobicContact CD2-CZ2 4.4Å; G220-W235 PolarHBondContact O-NE1 2.98Å; P221-W235 VanDerWaalsContact O-CD1 3.3Å |
| 236 | R | 92.7 | Very high | 89.6 | Confident | 110 Ų | 110 | 80.5 Ų | 80.5 | 42% | 0.415 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 147.6 | 169.5 | -70.5 | -64.5 | -164.1 | 160 | 7.2 | 109.9 | K134 F135 V137 | K134-R236 CarbonylContact C-O 3.51Å; K134-R236 WeakPolarHBondContact CA-O 3.4Å; F135-R236 HydrophobicContact CD1-CB 4.26Å; F135-R236 WeakPolarHBondContact CD1-O 3.12Å; F135-R236 HydrophobicContact CE1-CB 3.71Å; F135-R236 HydrophobicContact CZ-CB 3.86Å; F135-R236 PolarHBondContact N-O 3Å; F135-R236 PolarHBondContact O-N 2.74Å; V137-R236 HydrophobicContact CG1-CG 4.42Å; V137-R236 HydrophobicContact CG2-CB 4.4Å; V137-R236 HydrophobicContact CG2-CG 3.5Å; V137-R236 VanDerWaalsContact CG2-CG 3.5Å |
| 237 | V | 93.5 | Very high | 90.2 | Very high | 82 Ų | 82 | 77.9 Ų | 77.9 | 50% | 0.497 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 129.8 | 175.7 | 178.3 | 0 | 0 | 0 | 0 | 108.8 | T132 K134 | T132-V237 HydrophobicContact CG2-CG1 4.47Å; K134-V237 HydrophobicContact CG-CG2 4.23Å |
| 238 | L | 93.8 | Very high | 90.9 | Very high | 6 Ų | 6 | 72.2 Ų | 72.2 | 3% | 0.031 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -79.6 | 132.3 | 170.5 | -169.3 | 69.1 | 0 | 0 | 0 | 108.9 | T133 F135 H240 T242 P244 F247 | T133-L238 HydrophobicContact CG2-CB 4.43Å; T133-L238 HydrophobicContact CG2-CD2 4.28Å; T133-L238 WeakPolarHBondContact O-CB 3.37Å; T133-L238 PolarHBondContact O-N 2.94Å; F135-L238 HydrophobicContact CD1-CB 4.01Å; F135-L238 HydrophobicContact CD1-CD1 4.19Å; F135-L238 HydrophobicContact CE1-CB 4.28Å; F135-L238 HydrophobicContact CE1-CD1 4.09Å; L238-H240 PolarHBondContact O-N 3.26Å; L238-T242 HydrophobicContact CD1-CG2 4.5Å; L238-T242 VanDerWaalsContact CD2-O 3.27Å; L238-T242 WeakPolarHBondContact CD2-O 3.47Å; L238-P244 HydrophobicContact CD2-CB 4.47Å; L238-P244 HydrophobicContact CD2-CG 3.89Å; L238-F247 HydrophobicContact CD1-CB 3.75Å; L238-F247 HydrophobicContact CD1-CD1 4.09Å; L238-F247 HydrophobicContact CD1-CD2 3.89Å; L238-F247 HydrophobicContact CD1-CG 3.63Å |
| 239 | P | 92.8 | Very high | 91.3 | Very high | 68 Ų | 68 | 76.5 Ų | 76.5 | 44% | 0.442 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -56.7 | 138.3 | 176.1 | -24.9 | 34.6 | 0 | 0 | 0 | 111.9 | T241 T242 | P239-T241 PolarHBondContact O-N 3.3Å; P239-T242 PolarHBondContact O-N 3.07Å |
| 240 | H | 89.7 | Confident | 92 | Very high | 153 Ų | 153 | 76.8 Ų | 76.8 | 71% | 0.708 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -22.1 | 179.5 | -62.5 | -61.3 | 0 | 0 | 0 | 113.7 | L238 T242 | L238-H240 PolarHBondContact O-N 3.26Å; H240-T242 VanDerWaalsContact C-N 3.3Å |
| 241 | T | 92.5 | Very high | 92.7 | Very high | 133 Ų | 133 | 71.7 Ų | 71.7 | 82% | 0.816 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | 1.2 | 177.5 | 55.9 | 0 | 0 | 0 | 0 | 113.5 | P239 | P239-T241 PolarHBondContact O-N 3.3Š|
| 242 | T | 93.4 | Very high | 93.1 | Very high | 44 Ų | 44 | 69.8 Ų | 69.8 | 27% | 0.27 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -129.2 | 124.8 | -174.2 | -56.4 | 0 | 0 | 0 | 0 | 110.6 | L238 P239 H240 D246 F247 | L238-T242 HydrophobicContact CD1-CG2 4.5Å; L238-T242 VanDerWaalsContact CD2-O 3.27Å; L238-T242 WeakPolarHBondContact CD2-O 3.47Å; P239-T242 PolarHBondContact O-N 3.07Å; H240-T242 VanDerWaalsContact C-N 3.3Å; T242-D246 HydrophobicContact CG2-CB 4.25Å; T242-F247 HydrophobicContact CG2-CB 3.9Å |
| 243 | T | 95.4 | Very high | 93.2 | Very high | 67 Ų | 67 | 63.1 Ų | 63.1 | 41% | 0.411 | 31% | 0.311 | S | S | . | . | trans | -76.5 | 154.3 | 173.9 | 74 | 0 | 0 | 0 | 0 | 110.8 | R245 D246 F247 | T243-R245 PolarHBondContact O-N 3.36Å; T243-R245 VanDerWaalsContact O-N 3.16Å; T243-D246 PolarHBondContact O-N 3.09Å; T243-D246 VanDerWaalsContact O-N 3.14Å; T243-D246 PolarHBondContact OG1-N 3.49Å; T243-D246 VanDerWaalsContact OG1-N 3.08Å; T243-D246 PolarHBondContact OG1-OD2 2.92Å; T243-F247 PolarHBondContact O-N 2.75Å | ||
| 244 | P | 96 | Very high | 92.6 | Very high | 30 Ų | 30 | 67 Ų | 67 | 20% | 0.195 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -52.7 | -35.6 | 172.3 | -29.9 | 37.4 | 0 | 0 | 0 | 113 | L124 T126 Y187 L238 A248 | L124-P244 HydrophobicContact CD2-CB 3.9Å; L124-P244 WeakPolarHBondContact CD2-O 3.17Å; T126-P244 HydrophobicContact CG2-CB 4.31Å; T126-P244 HydrophobicContact CG2-CG 4.39Å; Y187-P244 HydrophobicContact CE2-CB 3.86Å; L238-P244 HydrophobicContact CD2-CB 4.47Å; L238-P244 HydrophobicContact CD2-CG 3.89Å; P244-A248 WeakPolarHBondContact O-CB 3.33Å; P244-A248 PolarHBondContact O-N 2.89Å |
| 245 | R | 96.4 | Very high | 91.4 | Very high | 111 Ų | 111 | 69.1 Ų | 69.1 | 42% | 0.419 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -66.4 | -47.3 | 177.5 | -177.4 | 179.3 | -72.1 | -141.7 | -0.3 | 112.2 | Y187 T243 F247 A248 R249 | Y187-R245 HydrophobicContact CD1-CB 4.26Å; Y187-R245 HydrophobicContact CD1-CG 4.13Å; Y187-R245 HydrophobicContact CD2-CB 4.11Å; Y187-R245 HydrophobicContact CD2-CG 4.5Å; Y187-R245 HydrophobicContact CE1-CB 4.13Å; Y187-R245 HydrophobicContact CE1-CG 4.41Å; Y187-R245 HydrophobicContact CE2-CB 3.96Å; Y187-R245 HydrophobicContact CG-CB 4.25Å; Y187-R245 HydrophobicContact CG-CG 4.18Å; T243-R245 PolarHBondContact O-N 3.36Å; T243-R245 VanDerWaalsContact O-N 3.16Å; R245-F247 VanDerWaalsContact C-N 3.3Å; R245-F247 PolarHBondContact O-N 2.93Å; R245-A248 PolarHBondContact O-N 2.96Å; R245-R249 WeakPolarHBondContact O-CG 3.06Å; R245-R249 PolarHBondContact O-N 2.97Å |
| 246 | D | 95 | Very high | 89.8 | Confident | 72 Ų | 72 | 78.2 Ų | 78.2 | 39% | 0.385 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -66.7 | -37 | 179.7 | -62 | -41.7 | 0 | 0 | 0 | 111.5 | T242 T243 R249 | T242-D246 HydrophobicContact CG2-CB 4.25Å; T243-D246 PolarHBondContact O-N 3.09Å; T243-D246 VanDerWaalsContact O-N 3.14Å; T243-D246 PolarHBondContact OG1-N 3.49Å; T243-D246 VanDerWaalsContact OG1-N 3.08Å; T243-D246 PolarHBondContact OG1-OD2 2.92Å; D246-R249 PolarHBondContact O-N 3.03Å; D246-R249 IonicContact OD1-NH1 2.62Å; D246-R249 PolarHBondContact OD1-NH1 2.05Å |
| 247 | F | 95.1 | Very high | 89.6 | Confident | 22 Ų | 22 | 76.7 Ų | 76.7 | 10% | 0.096 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -63.6 | -44.3 | 173.3 | -175.5 | -105.4 | 0 | 0 | 0 | 112.5 | L124 F135 I144 L146 L238 T242 T243 R245 R249 I250 F251 | L124-F247 HydrophobicContact CD1-CD1 4.16Å; L124-F247 HydrophobicContact CD1-CE1 4.4Å; F135-F247 HydrophobicContact CD2-CD1 4.41Å; F135-F247 AromaticContact CD2-CE1 3.64Å; F135-F247 HydrophobicContact CD2-CE1 3.64Å; F135-F247 HydrophobicContact CD2-CZ 4.21Å; F135-F247 HydrophobicContact CE1-CE1 4.47Å; F135-F247 HydrophobicContact CE1-CZ 4.4Å; F135-F247 HydrophobicContact CE2-CD1 4.19Å; F135-F247 AromaticContact CE2-CE1 3.15Å; F135-F247 HydrophobicContact CE2-CE1 3.15Å; F135-F247 HydrophobicContact CE2-CE2 4.35Å; F135-F247 AromaticContact CE2-CZ 3.26Å; F135-F247 HydrophobicContact CE2-CZ 3.26Å; F135-F247 HydrophobicContact CG-CE1 4.45Å; F135-F247 AromaticContact CZ-CE1 3.66Å; F135-F247 HydrophobicContact CZ-CE1 3.66Å; F135-F247 HydrophobicContact CZ-CE2 4.1Å; F135-F247 AromaticContact CZ-CZ 3.4Å; F135-F247 HydrophobicContact CZ-CZ 3.4Å; I144-F247 HydrophobicContact CG2-CZ 4.44Å; L146-F247 HydrophobicContact CD2-CE1 4.22Å; L238-F247 HydrophobicContact CD1-CB 3.75Å; L238-F247 HydrophobicContact CD1-CD1 4.09Å; L238-F247 HydrophobicContact CD1-CD2 3.89Å; L238-F247 HydrophobicContact CD1-CG 3.63Å; T242-F247 HydrophobicContact CG2-CB 3.9Å; T243-F247 PolarHBondContact O-N 2.75Å; R245-F247 VanDerWaalsContact C-N 3.3Å; R245-F247 PolarHBondContact O-N 2.93Å; F247-R249 VanDerWaalsContact C-N 3.25Å; F247-R249 PolarHBondContact O-N 3.46Å; F247-I250 HydrophobicContact CD2-CD1 3.94Å; F247-I250 HydrophobicContact CE2-CD1 4.31Å; F247-I250 WeakPolarHBondContact O-CB 3.34Å; F247-I250 WeakPolarHBondContact O-CG1 3.44Å; F247-I250 PolarHBondContact O-N 2.96Å; F247-I250 VanDerWaalsContact O-N 3.15Å; F247-F251 HydrophobicContact CD1-CE2 4.05Å; F247-F251 AromaticContact CE1-CE2 3.51Å; F247-F251 HydrophobicContact CE1-CE2 3.51Å; F247-F251 HydrophobicContact CE1-CZ 4.01Å; F247-F251 HydrophobicContact CE2-CE2 4.32Å; F247-F251 AromaticContact CZ-CE2 3.66Å; F247-F251 HydrophobicContact CZ-CE2 3.66Å; F247-F251 AromaticContact CZ-CZ 3.84Å; F247-F251 HydrophobicContact CZ-CZ 3.84Å |
| 248 | A | 95.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 76.4 Ų | 76.4 | 0% | 0 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -57.9 | -37.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L124 Y187 I207 P244 R245 I250 F251 | L124-A248 HydrophobicContact CD2-CB 4.06Å; Y187-A248 HydrophobicContact CD2-CB 3.76Å; Y187-A248 HydrophobicContact CG-CB 4.36Å; I207-A248 VanDerWaalsContact CD1-O 3.24Å; I207-A248 WeakPolarHBondContact CD1-O 3.25Å; I207-A248 HydrophobicContact CG2-CB 3.9Å; P244-A248 WeakPolarHBondContact O-CB 3.33Å; P244-A248 PolarHBondContact O-N 2.89Å; R245-A248 PolarHBondContact O-N 2.96Å; A248-I250 PolarHBondContact O-N 2.95Å; A248-I250 VanDerWaalsContact O-N 3.11Å; A248-F251 PolarHBondContact O-N 3.24Å |
| 249 | R | 92.5 | Very high | 89.2 | Confident | 136 Ų | 136 | 80.3 Ų | 80.3 | 51% | 0.513 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -60.2 | -22.4 | 179.9 | -72 | 169.5 | 171.2 | 169.6 | -12.6 | 113.6 | R245 D246 F247 F251 G252 | R245-R249 WeakPolarHBondContact O-CG 3.06Å; R245-R249 PolarHBondContact O-N 2.97Å; D246-R249 PolarHBondContact O-N 3.03Å; D246-R249 IonicContact OD1-NH1 2.62Å; D246-R249 PolarHBondContact OD1-NH1 2.05Å; F247-R249 VanDerWaalsContact C-N 3.25Å; F247-R249 PolarHBondContact O-N 3.46Å; R249-F251 PolarHBondContact O-N 3.14Å; R249-G252 PolarHBondContact O-N 3.24Å |
| 250 | I | 92.5 | Very high | 88.9 | Confident | 95 Ų | 95 | 81 Ų | 81 | 49% | 0.487 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -30.8 | 175.6 | -60 | 171.6 | 0 | 0 | 0 | 111.1 | K193 F247 A248 | K193-I250 WeakPolarHBondContact CD-O 3.5Å; K193-I250 WeakPolarHBondContact CE-O 3.43Å; K193-I250 PolarHBondContact NZ-O 2.86Å; F247-I250 HydrophobicContact CD2-CD1 3.94Å; F247-I250 HydrophobicContact CE2-CD1 4.31Å; F247-I250 WeakPolarHBondContact O-CB 3.34Å; F247-I250 WeakPolarHBondContact O-CG1 3.44Å; F247-I250 PolarHBondContact O-N 2.96Å; F247-I250 VanDerWaalsContact O-N 3.15Å; A248-I250 PolarHBondContact O-N 2.95Å; A248-I250 VanDerWaalsContact O-N 3.11Å |
| 251 | F | 94.8 | Very high | 88.9 | Confident | 21 Ų | 21 | 76.5 Ų | 76.5 | 9% | 0.092 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -3.8 | -176.4 | -58.7 | -87.7 | 0 | 0 | 0 | 113.9 | Y122 I144 L146 K193 I207 F247 A248 R249 | Y122-F251 HydrophobicContact CD2-CB 4.23Å; Y122-F251 HydrophobicContact CE2-CB 4.36Å; I144-F251 HydrophobicContact CG2-CZ 4.13Å; L146-F251 HydrophobicContact CD1-CB 4.26Å; L146-F251 HydrophobicContact CD1-CD1 4.41Å; L146-F251 HydrophobicContact CD1-CD2 3.67Å; L146-F251 HydrophobicContact CD1-CE2 4.1Å; L146-F251 HydrophobicContact CD1-CG 3.85Å; L146-F251 HydrophobicContact CD2-CD2 4.5Å; L146-F251 HydrophobicContact CD2-CE2 4.09Å; L146-F251 HydrophobicContact CD2-CZ 4.21Å; L146-F251 HydrophobicContact CG-CD1 4.1Å; L146-F251 HydrophobicContact CG-CD2 3.91Å; L146-F251 HydrophobicContact CG-CE1 4.08Å; L146-F251 HydrophobicContact CG-CE2 3.9Å; L146-F251 HydrophobicContact CG-CG 4.01Å; L146-F251 HydrophobicContact CG-CZ 3.99Å; K193-F251 PolarHBondContact N-O 2.86Å; I207-F251 HydrophobicContact CD1-CB 3.93Å; F247-F251 HydrophobicContact CD1-CE2 4.05Å; F247-F251 AromaticContact CE1-CE2 3.51Å; F247-F251 HydrophobicContact CE1-CE2 3.51Å; F247-F251 HydrophobicContact CE1-CZ 4.01Å; F247-F251 HydrophobicContact CE2-CE2 4.32Å; F247-F251 AromaticContact CZ-CE2 3.66Å; F247-F251 HydrophobicContact CZ-CE2 3.66Å; F247-F251 AromaticContact CZ-CZ 3.84Å; F247-F251 HydrophobicContact CZ-CZ 3.84Å; A248-F251 PolarHBondContact O-N 3.24Å; R249-F251 PolarHBondContact O-N 3.14Å |
| 252 | G | 93.9 | Very high | 88.7 | Confident | 6 Ų | 6 | 72.7 Ų | 72.7 | 6% | 0.062 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 164.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y191 K193 R249 | Y191-G252 CarbonylContact O-C 3.57Å; Y191-G252 VanDerWaalsContact O-CA 3.26Å; Y191-G252 WeakPolarHBondContact O-CA 3.47Å; K193-G252 WeakPolarHBondContact CE-O 3.48Å; R249-G252 PolarHBondContact O-N 3.24Å |
| 253 | I | 88.7 | Confident | 88.3 | Confident | 42 Ų | 42 | 74.8 Ų | 74.8 | 22% | 0.215 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 118.1 | 161.7 | -56.1 | 176.9 | 0 | 0 | 0 | 106.7 | Y101 E102 H188 Y191 K193 | Y101-I253 HydrophobicContact CD1-CB 4.37Å; Y101-I253 HydrophobicContact CD1-CG2 4.14Å; E102-I253 HydrophobicContact CG-CD1 4.43Å; H188-I253 PolarHBondContact CE1-O 2.54Å; Y191-I253 WeakPolarHBondContact CB-O 3.11Å; Y191-I253 HydrophobicContact CD1-CB 3.81Å; Y191-I253 HydrophobicContact CD1-CD1 3.65Å; Y191-I253 HydrophobicContact CD1-CG1 3.73Å; Y191-I253 HydrophobicContact CE1-CD1 3.63Å; Y191-I253 HydrophobicContact CE1-CG1 4.17Å; Y191-I253 HydrophobicContact CG-CB 4.31Å; Y191-I253 PolarHBondContact O-N 2.78Å; K193-I253 HydrophobicContact CD-CG1 4.47Å; K193-I253 VanDerWaalsContact CE-CG1 3.47Å; K193-I253 HydrophobicContact CG-CD1 4.37Å; K193-I253 HydrophobicContact CG-CG1 4.18Å |
| 254 | S | 78.8 | Confident | 87.8 | Confident | 86 Ų | 86 | 75.4 Ų | 75.4 | 60% | 0.601 | 36% | 0.364 | S | S | * | . | trans | -75 | 141.1 | 168.5 | -57.3 | 0 | 0 | 0 | 0 | 108.7 | K256 | S254-K256 PolarHBondContact O-N 3.31Š| ||
| 255 | L | 64.7 | Low | 87.1 | Confident | 120 Ų | 120 | 79.2 Ų | 79.2 | 63% | 0.628 | 38% | 0.378 | S | S | * | . | trans | -56.2 | 136 | 167.3 | -79.5 | 163.5 | 0 | 0 | 0 | 108.1 | Y101 | Y101-L255 HydrophobicContact CD1-CD2 4.15Å; Y101-L255 HydrophobicContact CE1-CD1 4.48Å; Y101-L255 HydrophobicContact CE1-CD2 3.47Å; Y101-L255 VanDerWaalsContact CE1-CD2 3.47Å; Y101-L255 HydrophobicContact CE1-CG 3.56Å | ||
| 256 | K | 57.5 | Low | 86.3 | Confident | 239 Ų | 239 | 76.3 Ų | 76.3 | 100% | 1.039 | 38% | 0.375 | S | S | * | . | trans | -65 | 0 | 165.6 | -74.6 | -178.6 | -176.3 | 173 | 0 | 109.6 | D67 S254 | D67-K256 IonicContact OD2-NZ 2.98Å; D67-K256 PolarHBondContact OD2-NZ 3.48Å; S254-K256 PolarHBondContact O-N 3.31Å |
Retrieved 256 of 256 residues in 430.5 ms
(Link to these results)