| 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 | E | 53.2 | Low | 76.8 | Confident | 189 Ų | 189 | 56.3 Ų | 56.3 | 88% | 0.883 | 30% | 0.301 | S | S | * | . | 0 | 111.2 | 0 | -61.2 | -176.3 | 155.7 | 0 | 0 | 111.6 | K13 | E1-K13 WeakPolarHBondContact O-CD 3.24Å; E1-K13 WeakPolarHBondContact O-CE 3.36Å; E1-K13 WeakPolarHBondContact O-CG 3.43Å; E1-K13 PolarHBondContact O-NZ 2.8Å | |||
| 2 | S | 67.4 | Low | 76 | Confident | 68 Ų | 68 | 54.7 Ų | 54.7 | 48% | 0.476 | 30% | 0.296 | S | S | . | . | trans | -59.4 | 160.1 | 170.8 | 44.2 | 0 | 0 | 0 | 0 | 112.4 | V11 | S2-V11 VanDerWaalsContact CA-O 3.31Å; S2-V11 WeakPolarHBondContact CA-O 3.43Å; S2-V11 VanDerWaalsContact CB-O 3.29Å; S2-V11 WeakPolarHBondContact CB-O 3.07Å | ||
| 3 | Y | 78 | Confident | 74.5 | Confident | 118 Ų | 118 | 60.4 Ų | 60.4 | 46% | 0.463 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 160.7 | 171.4 | 69 | -88.8 | 0 | 0 | 0 | 111.2 | L5 V11 | Y3-L5 HydrophobicContact CE2-CB 4.09Å; Y3-V11 HydrophobicContact CD1-CB 4.13Å; Y3-V11 HydrophobicContact CD1-CG1 4.46Å; Y3-V11 HydrophobicContact CD2-CB 4.35Å; Y3-V11 HydrophobicContact CD2-CG2 4.45Å; Y3-V11 HydrophobicContact CE1-CB 3.72Å; Y3-V11 HydrophobicContact CE1-CG1 3.66Å; Y3-V11 HydrophobicContact CE1-CG2 4.48Å; Y3-V11 HydrophobicContact CE2-CB 3.96Å; Y3-V11 HydrophobicContact CE2-CG1 4.46Å; Y3-V11 HydrophobicContact CE2-CG2 3.86Å; Y3-V11 HydrophobicContact CG-CB 4.44Å; Y3-V11 PolarHBondContact N-O 3.17Å; Y3-V11 PolarHBondContact O-N 2.88Å |
| 4 | I | 79.4 | Confident | 72.8 | Confident | 91 Ų | 91 | 65.9 Ų | 65.9 | 47% | 0.467 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 119.2 | 178.7 | -58.5 | 175.1 | 0 | 0 | 0 | 108.9 | G7 I9 L89 | I4-G7 VanDerWaalsContact CG2-O 3.25Å; I4-G7 WeakPolarHBondContact CG2-O 3.35Å; I4-I9 CarbonylContact C-O 3.59Å; I4-I9 WeakPolarHBondContact CA-O 2.79Å; I4-L89 HydrophobicContact CD1-CD2 3.96Å |
| 5 | L | 81.1 | Confident | 71 | Confident | 43 Ų | 43 | 65.1 Ų | 65.1 | 23% | 0.225 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 145.3 | 173.5 | -179.8 | 62.8 | 0 | 0 | 0 | 108.7 | Y3 G7 D8 I9 V11 | Y3-L5 HydrophobicContact CE2-CB 4.09Å; L5-G7 PolarHBondContact O-N 3.07Å; L5-D8 PolarHBondContact O-N 3.18Å; L5-I9 HydrophobicContact CB-CB 4.29Å; L5-I9 HydrophobicContact CB-CG2 4.5Å; L5-I9 PolarHBondContact N-O 3.23Å; L5-I9 WeakPolarHBondContact O-CA 3.31Å; L5-I9 VanDerWaalsContact O-CB 3.29Å; L5-I9 WeakPolarHBondContact O-CB 2.87Å; L5-I9 PolarHBondContact O-N 2.83Å; L5-V11 HydrophobicContact CB-CG2 3.85Å; L5-V11 HydrophobicContact CD2-CG2 4.34Å |
| 6 | Q | 82.3 | Confident | 68.6 | Low | 1 Ų | 1 | 71.6 Ų | 71.6 | 1% | 0.005 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | 39.9 | 175.1 | -66.8 | 177.3 | -0.7 | 0 | 0 | 112.2 | D8 I9 H126 S129 N151 R153 Y172 | Q6-D8 PolarHBondContact O-N 3.24Å; Q6-I9 HydrophobicContact CB-CD1 4.17Å; Q6-I9 VanDerWaalsContact OE1-CD1 3.3Å; Q6-H126 WeakPolarHBondContact CB-ND1 3.26Å; Q6-H126 PolarHBondContact O-CE1 3.23Å; Q6-H126 PolarHBondContact OE1-ND1 2.94Å; Q6-S129 VanDerWaalsContact NE2-CB 3.27Å; Q6-N151 VanDerWaalsContact CA-OD1 3.24Å; Q6-N151 WeakPolarHBondContact CA-OD1 3.46Å; Q6-N151 WeakPolarHBondContact CG-O 3.5Å; Q6-N151 PolarHBondContact N-OD1 2.96Å; Q6-R153 PolarHBondContact NE2-O 3.05Å; Q6-Y172 VanDerWaalsContact CA-OH 3.28Å; Q6-Y172 WeakPolarHBondContact CA-OH 2.82Å; Q6-Y172 WeakPolarHBondContact CB-OH 2.86Å; Q6-Y172 PolarHBondContact O-OH 3.15Å |
| 7 | G | 83.8 | Confident | 66.7 | Low | 39 Ų | 39 | 73.8 Ų | 73.8 | 40% | 0.402 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.5 | -34.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | I4 L5 N151 | I4-G7 VanDerWaalsContact CG2-O 3.25Å; I4-G7 WeakPolarHBondContact CG2-O 3.35Å; L5-G7 PolarHBondContact O-N 3.07Å; G7-N151 PolarHBondContact N-OD1 3.37Å |
| 8 | D | 81.1 | Confident | 64.7 | Low | 22 Ų | 22 | 78.1 Ų | 78.1 | 12% | 0.118 | 42% | 0.415 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -144.1 | -3.1 | -170.4 | 50.8 | 22.4 | 0 | 0 | 0 | 114 | L5 Q6 L10 C88 L89 S90 H116 H120 H126 | L5-D8 PolarHBondContact O-N 3.18Å; Q6-D8 PolarHBondContact O-N 3.24Å; D8-L10 PolarHBondContact O-N 2.94Å; D8-C88 VanDerWaalsContact CB-O 3.25Å; D8-C88 WeakPolarHBondContact CB-O 3.46Å; D8-L89 HydrophobicContact CB-CB 4.43Å; D8-L89 CarbonylContact O-C 3.57Å; D8-L89 WeakPolarHBondContact O-CA 3.09Å; D8-L89 WeakPolarHBondContact O-CB 3.43Å; D8-S90 PolarHBondContact O-N 3.46Å; D8-H116 IonicContact OD2-NE2 3Å; D8-H116 PolarHBondContact OD2-NE2 2.58Å; D8-H120 IonicContact OD1-NE2 3.53Å; D8-H120 PolarHBondContact OD1-NE2 2.95Å; D8-H126 IonicContact OD1-CE1 2.81Å; D8-H126 PolarHBondContact OD1-CE1 2.76Å; D8-H126 IonicContact OD1-NE2 2.99Å; D8-H126 PolarHBondContact OD1-NE2 2.99Å; D8-H126 IonicContact OD2-CE1 3.45Å; D8-H126 IonicContact OD2-NE2 2.78Å; D8-H126 PolarHBondContact OD2-NE2 3.31Å |
| 9 | I | 81.9 | Confident | 63.1 | Low | 5 Ų | 5 | 77 Ų | 77 | 3% | 0.026 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 113.7 | 175.5 | -62 | 173.9 | 0 | 0 | 0 | 109.9 | I4 L5 Q6 V11 S90 V92 | I4-I9 CarbonylContact C-O 3.59Å; I4-I9 WeakPolarHBondContact CA-O 2.79Å; L5-I9 HydrophobicContact CB-CB 4.29Å; L5-I9 HydrophobicContact CB-CG2 4.5Å; L5-I9 PolarHBondContact N-O 3.23Å; L5-I9 WeakPolarHBondContact O-CA 3.31Å; L5-I9 VanDerWaalsContact O-CB 3.29Å; L5-I9 WeakPolarHBondContact O-CB 2.87Å; L5-I9 PolarHBondContact O-N 2.83Å; Q6-I9 HydrophobicContact CB-CD1 4.17Å; Q6-I9 VanDerWaalsContact OE1-CD1 3.3Å; I9-V11 HydrophobicContact CG2-CG2 4.21Å; I9-S90 CarbonylContact C-O 3.57Å; I9-S90 WeakPolarHBondContact CA-O 3.46Å; I9-V92 HydrophobicContact CD1-CG2 3.87Å; I9-V92 HydrophobicContact CG1-CG2 4.06Å; I9-V92 HydrophobicContact CG2-CG2 3.71Å |
| 10 | L | 80.3 | Confident | 62.3 | Low | 18 Ų | 18 | 76.2 Ų | 76.2 | 9% | 0.094 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 121.9 | 172.5 | -171.2 | 71.5 | 0 | 0 | 0 | 110.7 | D8 L89 S90 S91 F100 | D8-L10 PolarHBondContact O-N 2.94Å; L10-L89 HydrophobicContact CB-CD1 4.2Å; L10-L89 HydrophobicContact CD2-CD1 4.39Å; L10-S90 PolarHBondContact N-O 3.27Å; L10-S91 PolarHBondContact O-OG 3.44Å; L10-F100 HydrophobicContact CD2-CD1 4.38Å; L10-F100 HydrophobicContact CD2-CE1 3.46Å; L10-F100 VanDerWaalsContact CD2-CE1 3.46Å; L10-F100 HydrophobicContact CD2-CE2 4.41Å; L10-F100 HydrophobicContact CD2-CZ 3.48Å; L10-F100 VanDerWaalsContact CD2-CZ 3.48Å |
| 11 | V | 76.9 | Confident | 61.8 | Low | 25 Ų | 25 | 74.1 Ų | 74.1 | 15% | 0.152 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 115.4 | 176.1 | -173.6 | 0 | 0 | 0 | 0 | 110.3 | S2 Y3 L5 I9 | S2-V11 VanDerWaalsContact CA-O 3.31Å; S2-V11 WeakPolarHBondContact CA-O 3.43Å; S2-V11 VanDerWaalsContact CB-O 3.29Å; S2-V11 WeakPolarHBondContact CB-O 3.07Å; Y3-V11 HydrophobicContact CD1-CB 4.13Å; Y3-V11 HydrophobicContact CD1-CG1 4.46Å; Y3-V11 HydrophobicContact CD2-CB 4.35Å; Y3-V11 HydrophobicContact CD2-CG2 4.45Å; Y3-V11 HydrophobicContact CE1-CB 3.72Å; Y3-V11 HydrophobicContact CE1-CG1 3.66Å; Y3-V11 HydrophobicContact CE1-CG2 4.48Å; Y3-V11 HydrophobicContact CE2-CB 3.96Å; Y3-V11 HydrophobicContact CE2-CG1 4.46Å; Y3-V11 HydrophobicContact CE2-CG2 3.86Å; Y3-V11 HydrophobicContact CG-CB 4.44Å; Y3-V11 PolarHBondContact N-O 3.17Å; Y3-V11 PolarHBondContact O-N 2.88Å; L5-V11 HydrophobicContact CB-CG2 3.85Å; L5-V11 HydrophobicContact CD2-CG2 4.34Å; I9-V11 HydrophobicContact CG2-CG2 4.21Å |
| 12 | P | 66.8 | Low | 62.2 | Low | 37 Ų | 37 | 65.4 Ų | 65.4 | 24% | 0.24 | 36% | 0.364 | C | S | . | . | trans | -64 | 137.8 | 172.6 | -20.6 | 32.4 | 0 | 0 | 0 | 112 | T14 T15 | P12-T14 VanDerWaalsContact C-N 3.26Å; P12-T14 PolarHBondContact O-N 2.7Å; P12-T15 PolarHBondContact O-OG1 3.19Å; P12-T15 VanDerWaalsContact O-OG1 3.11Å | ||
| 13 | K | 56.5 | Low | 61.4 | Low | 129 Ų | 129 | 64.2 Ų | 64.2 | 56% | 0.561 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -17.3 | 177.7 | -100.4 | -172.6 | -170.3 | 163.4 | 0 | 114.2 | E1 T15 | E1-K13 WeakPolarHBondContact O-CD 3.24Å; E1-K13 WeakPolarHBondContact O-CE 3.36Å; E1-K13 WeakPolarHBondContact O-CG 3.43Å; E1-K13 PolarHBondContact O-NZ 2.8Å; K13-T15 PolarHBondContact O-N 2.67Å |
| 14 | T | 50 | Low | 60.1 | Low | 138 Ų | 138 | 65.1 Ų | 65.1 | 85% | 0.847 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -6.3 | -178.6 | 48.7 | 0 | 0 | 0 | 0 | 113.2 | P12 | P12-T14 VanDerWaalsContact C-N 3.26Å; P12-T14 PolarHBondContact O-N 2.7Å |
| 15 | T | 46.3 | Very low | 59 | Low | 53 Ų | 53 | 67 Ų | 67 | 33% | 0.325 | 37% | 0.37 | S | S | . | . | trans | -111.1 | 92.9 | 173.7 | 47.6 | 0 | 0 | 0 | 0 | 110 | P12 K13 K17 | P12-T15 PolarHBondContact O-OG1 3.19Å; P12-T15 VanDerWaalsContact O-OG1 3.11Å; K13-T15 PolarHBondContact O-N 2.67Å; T15-K17 PolarHBondContact O-N 2.9Å | ||
| 16 | N | 32.1 | Very low | 58.3 | Low | 170 Ų | 170 | 67.2 Ų | 67.2 | 91% | 0.909 | 38% | 0.383 | S | S | * | . | trans | -66.3 | 66.1 | 162.7 | -93.4 | -13.4 | 0 | 0 | 0 | 110.1 | ||||
| 17 | K | 37.6 | Very low | 58.2 | Low | 109 Ų | 109 | 67.9 Ų | 67.9 | 47% | 0.474 | 39% | 0.388 | S | S | . | . | trans | -128.5 | 94.2 | -177.7 | -66.3 | -174.6 | -177.4 | 174 | 0 | 109.6 | T15 A19 | T15-K17 PolarHBondContact O-N 2.9Å; K17-A19 PolarHBondContact O-N 2.65Å | ||
| 18 | N | 30.1 | Very low | 58.5 | Low | 150 Ų | 150 | 68.1 Ų | 68.1 | 80% | 0.802 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -60.8 | 121.8 | 164.9 | -86.9 | -35.2 | 0 | 0 | 0 | 109.5 | ||
| 19 | A | 33.7 | Very low | 59.1 | Low | 58 Ų | 58 | 67.3 Ų | 67.3 | 48% | 0.479 | 38% | 0.375 | S | S | . | . | S | Bend | trans | 55.7 | 103.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | K17 P21 | K17-A19 PolarHBondContact O-N 2.65Å; A19-P21 WeakPolarHBondContact O-CD 3.24Å |
| 20 | D | 47.6 | Very low | 59.6 | Low | 60 Ų | 60 | 70.1 Ų | 70.1 | 32% | 0.321 | 39% | 0.394 | S | S | . | . | trans | -90.7 | 108.5 | -169.1 | -146 | -23 | 0 | 0 | 0 | 113.9 | C22 | D20-C22 HydrophobicContact CB-CB 3.82Å; D20-C22 PolarHBondContact O-N 2.76Å; D20-C22 WeakPolarHBondContact OD1-CA 3.44Å; D20-C22 VanDerWaalsContact OD1-CB 3.3Å; D20-C22 WeakPolarHBondContact OD1-CB 3.47Å; D20-C22 PolarHBondContact OD1-N 3.34Å; D20-C22 WeakPolarHBondContact OD2-CB 3.43Å | ||
| 21 | P | 52.4 | Low | 60.2 | Low | 34 Ų | 34 | 73.1 Ų | 73.1 | 22% | 0.221 | 41% | 0.406 | C | S | . | . | trans | -68.5 | 50.3 | 151.4 | 33.3 | -37.3 | 0 | 0 | 0 | 110.2 | A19 V23 L24 K25 | A19-P21 WeakPolarHBondContact O-CD 3.24Å; P21-V23 PolarHBondContact O-N 2.76Å; P21-L24 HydrophobicContact CB-CB 4.16Å; P21-L24 HydrophobicContact CB-CD1 3.93Å; P21-L24 HydrophobicContact CB-CG 4.37Å; P21-L24 CarbonylContact O-C 3.46Å; P21-L24 WeakPolarHBondContact O-CA 3.07Å; P21-L24 WeakPolarHBondContact O-CB 3.31Å; P21-L24 PolarHBondContact O-N 2.79Å; P21-K25 HydrophobicContact CG-CD 4.03Å; P21-K25 WeakPolarHBondContact O-CG 3.29Å; P21-K25 PolarHBondContact O-N 3.11Å; P21-K25 VanDerWaalsContact O-N 3.1Å | ||
| 22 | C | 60.7 | Low | 60.8 | Low | 5 Ų | 5 | 81.7 Ų | 81.7 | 3% | 0.034 | 44% | 0.436 | C | S | . | . | G | 310 helix | trans | -66.3 | -33.5 | -169.4 | 89.9 | 0 | 0 | 0 | 0 | 110.3 | D20 L24 K25 G26 C27 | D20-C22 HydrophobicContact CB-CB 3.82Å; D20-C22 PolarHBondContact O-N 2.76Å; D20-C22 WeakPolarHBondContact OD1-CA 3.44Å; D20-C22 VanDerWaalsContact OD1-CB 3.3Å; D20-C22 WeakPolarHBondContact OD1-CB 3.47Å; D20-C22 PolarHBondContact OD1-N 3.34Å; D20-C22 WeakPolarHBondContact OD2-CB 3.43Å; C22-L24 PolarHBondContact O-N 2.74Å; C22-K25 CarbonylContact O-C 3.47Å; C22-K25 VanDerWaalsContact O-C 3.29Å; C22-K25 WeakPolarHBondContact O-CA 3.24Å; C22-K25 PolarHBondContact O-N 3.31Å; C22-G26 PolarHBondContact O-N 3.34Å; C22-C27 VanDerWaalsContact CA-SG 3.54Å; C22-C27 HydrophobicContact CB-CB 3.46Å; C22-C27 VanDerWaalsContact CB-CB 3.46Å; C22-C27 WeakPolarHBondContact CB-SG 3.47Å; C22-C27 PolarHBondContact O-N 3.35Å; C22-C27 PolarHBondContact O-SG 3.5Å; C22-C27 WeakPolarHBondContact SG-CB 3.42Å; C22-C27 CovalentContact SG-SG 2.02Å; C22-C27 PolarHBondContact SG-SG 3.01Å |
| 23 | V | 51.3 | Low | 61.9 | Low | 43 Ų | 43 | 83.4 Ų | 83.4 | 26% | 0.261 | 46% | 0.46 | S | S | . | . | G | 310 helix | trans | -61 | -33.5 | 174.8 | -161.9 | 0 | 0 | 0 | 0 | 111.2 | P21 K25 C27 L28 L212 | P21-V23 PolarHBondContact O-N 2.76Å; V23-K25 VanDerWaalsContact C-N 3.33Å; V23-C27 PolarHBondContact N-SG 2.87Å; V23-L28 HydrophobicContact CG1-CD1 3.89Å; V23-L28 HydrophobicContact CG1-CD2 3.62Å; V23-L28 HydrophobicContact CG1-CG 3.82Å; V23-L212 HydrophobicContact CB-CD1 4.49Å; V23-L212 HydrophobicContact CG1-CD1 3.2Å; V23-L212 HydrophobicContact CG1-CD2 4.3Å; V23-L212 HydrophobicContact CG1-CG 4.1Å |
| 24 | L | 50.3 | Low | 63.6 | Low | 137 Ų | 137 | 86.3 Ų | 86.3 | 72% | 0.717 | 47% | 0.468 | S | S | * | . | G | 310 helix | trans | -84.7 | -6.4 | 173.7 | -57.8 | 172.2 | 0 | 0 | 0 | 112.5 | P21 C22 | P21-L24 HydrophobicContact CB-CB 4.16Å; P21-L24 HydrophobicContact CB-CD1 3.93Å; P21-L24 HydrophobicContact CB-CG 4.37Å; P21-L24 CarbonylContact O-C 3.46Å; P21-L24 WeakPolarHBondContact O-CA 3.07Å; P21-L24 WeakPolarHBondContact O-CB 3.31Å; P21-L24 PolarHBondContact O-N 2.79Å; C22-L24 PolarHBondContact O-N 2.74Å |
| 25 | K | 55.6 | Low | 65.8 | Low | 130 Ų | 130 | 84.2 Ų | 84.2 | 57% | 0.565 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.8 | 13.1 | -174.1 | -69.3 | -178.8 | 176.5 | 173.4 | 0 | 114.3 | P21 C22 V23 | P21-K25 HydrophobicContact CG-CD 4.03Å; P21-K25 WeakPolarHBondContact O-CG 3.29Å; P21-K25 PolarHBondContact O-N 3.11Å; P21-K25 VanDerWaalsContact O-N 3.1Å; C22-K25 CarbonylContact O-C 3.47Å; C22-K25 VanDerWaalsContact O-C 3.29Å; C22-K25 WeakPolarHBondContact O-CA 3.24Å; C22-K25 PolarHBondContact O-N 3.31Å; V23-K25 VanDerWaalsContact C-N 3.33Å |
| 26 | G | 67.4 | Low | 68.2 | Low | 48 Ų | 48 | 81.7 Ų | 81.7 | 50% | 0.495 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95 | 14.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | C22 L28 R94 | C22-G26 PolarHBondContact O-N 3.34Å; G26-L28 PolarHBondContact O-N 3.3Å; G26-R94 PolarHBondContact O-NH2 3.24Å |
| 27 | C | 79.8 | Confident | 71.3 | Confident | 15 Ų | 15 | 75.9 Ų | 75.9 | 10% | 0.101 | 40% | 0.4 | C | S | . | . | trans | -80.3 | 2.7 | 175.6 | 78.5 | 0 | 0 | 0 | 0 | 114 | C22 V23 R94 | C22-C27 VanDerWaalsContact CA-SG 3.54Å; C22-C27 HydrophobicContact CB-CB 3.46Å; C22-C27 VanDerWaalsContact CB-CB 3.46Å; C22-C27 WeakPolarHBondContact CB-SG 3.47Å; C22-C27 PolarHBondContact O-N 3.35Å; C22-C27 PolarHBondContact O-SG 3.5Å; C22-C27 WeakPolarHBondContact SG-CB 3.42Å; C22-C27 CovalentContact SG-SG 2.02Å; C22-C27 PolarHBondContact SG-SG 3.01Å; V23-C27 PolarHBondContact N-SG 2.87Å; C27-R94 WeakPolarHBondContact O-CA 3.48Å; C27-R94 VanDerWaalsContact O-CB 3.23Å; C27-R94 WeakPolarHBondContact O-CB 3.44Å; C27-R94 PolarHBondContact O-N 3.44Å | ||
| 28 | L | 90.3 | Very high | 74.2 | Confident | 44 Ų | 44 | 70.7 Ų | 70.7 | 23% | 0.23 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -70.1 | 149.7 | 176.5 | -70.2 | -177.7 | 0 | 0 | 0 | 110.6 | V23 G26 R94 L212 Y213 | V23-L28 HydrophobicContact CG1-CD1 3.89Å; V23-L28 HydrophobicContact CG1-CD2 3.62Å; V23-L28 HydrophobicContact CG1-CG 3.82Å; G26-L28 PolarHBondContact O-N 3.3Å; L28-R94 PolarHBondContact O-NE 3.01Å; L28-L212 HydrophobicContact CD2-CD1 4.39Å; L28-L212 HydrophobicContact CD2-CD2 3.78Å; L28-L212 HydrophobicContact CD2-CG 3.91Å; L28-Y213 HydrophobicContact CB-CE1 4.14Å; L28-Y213 HydrophobicContact CD2-CE1 4.05Å; L28-Y213 HydrophobicContact CD2-CE2 4.35Å |
| 29 | W | 94.1 | Very high | 77.4 | Confident | 5 Ų | 5 | 63.8 Ų | 63.8 | 2% | 0.019 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 133.6 | 164 | -69.4 | 90.3 | 0 | 0 | 0 | 109.7 | K31 V36 V38 D78 I80 R94 A121 Y213 | W29-K31 PolarHBondContact O-N 3.22Å; W29-V36 HydrophobicContact CB-CG1 3.51Å; W29-V38 HydrophobicContact CB-CG2 4.12Å; W29-V38 HydrophobicContact CD2-CB 4.42Å; W29-V38 HydrophobicContact CD2-CG1 4.01Å; W29-V38 HydrophobicContact CD2-CG2 3.9Å; W29-V38 HydrophobicContact CE3-CB 4.43Å; W29-V38 HydrophobicContact CE3-CG1 4.12Å; W29-V38 HydrophobicContact CE3-CG2 4.23Å; W29-V38 HydrophobicContact CG-CG2 3.82Å; W29-V38 HydrophobicContact CH2-CG1 4.16Å; W29-V38 HydrophobicContact CZ2-CG1 4.03Å; W29-V38 HydrophobicContact CZ3-CG1 4.2Å; W29-D78 HydrophobicContact CH2-CB 4.34Å; W29-D78 HydrophobicContact CZ3-CB 4.03Å; W29-I80 HydrophobicContact CH2-CG1 4.08Å; W29-I80 HydrophobicContact CZ2-CD1 4.07Å; W29-I80 HydrophobicContact CZ2-CG1 3.71Å; W29-R94 HydrophobicContact CD2-CB 3.91Å; W29-R94 HydrophobicContact CD2-CG 4Å; W29-R94 HydrophobicContact CE3-CB 4.45Å; W29-R94 HydrophobicContact CE3-CG 4.02Å; W29-R94 HydrophobicContact CG-CB 4.15Å; W29-R94 HydrophobicContact CH2-CG 4.06Å; W29-R94 HydrophobicContact CZ2-CB 4.14Å; W29-R94 HydrophobicContact CZ2-CG 4.05Å; W29-R94 HydrophobicContact CZ3-CG 4.04Å; W29-A121 PolarHBondContact NE1-O 3.45Å; W29-Y213 HydrophobicContact CB-CE1 4.02Å; W29-Y213 PolarHBondContact N-OH 2.85Å; W29-Y213 WeakPolarHBondContact O-CE1 3.36Å |
| 30 | P | 92.4 | Very high | 80.5 | Confident | 65 Ų | 65 | 62.8 Ų | 62.8 | 42% | 0.422 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 129.7 | -173.7 | 26.8 | -33.8 | 0 | 0 | 0 | 110.7 | ||
| 31 | K | 92.1 | Very high | 82.9 | Confident | 81 Ų | 81 | 63.7 Ų | 63.7 | 35% | 0.352 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 134.8 | 170.6 | -170.2 | 178.3 | -174.6 | 174.6 | 0 | 110.4 | W29 G33 Y35 V36 Y213 G214 | W29-K31 PolarHBondContact O-N 3.22Å; K31-G33 VanDerWaalsContact CE-O 3.28Å; K31-G33 WeakPolarHBondContact CE-O 3.46Å; K31-Y35 WeakPolarHBondContact CG-O 3.44Å; K31-V36 HydrophobicContact CB-CG2 3.91Å; K31-V36 HydrophobicContact CD-CG2 4.43Å; K31-V36 HydrophobicContact CG-CG2 3.91Å; K31-Y213 WeakPolarHBondContact CD-O 3.49Å; K31-Y213 WeakPolarHBondContact CE-O 3.41Å; K31-Y213 PolarHBondContact NZ-O 3.32Å; K31-G214 PolarHBondContact NZ-O 3.09Å |
| 32 | R | 90.1 | Very high | 85.1 | Confident | 205 Ų | 205 | 62.2 Ų | 62.2 | 77% | 0.774 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 115 | 172.6 | -65.9 | -174 | -179.8 | -172.9 | 0.7 | 109.2 | R34 Y35 | R32-R34 PolarHBondContact O-N 2.99Å; R32-Y35 PolarHBondContact N-O 3.42Å; R32-Y35 PolarHBondContact O-N 3.03Å; R32-Y35 VanDerWaalsContact O-O 3.13Å |
| 33 | G | 89.5 | Confident | 86.9 | Confident | 73 Ų | 73 | 62.6 Ų | 62.6 | 75% | 0.753 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.4 | -122.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | K31 | K31-G33 VanDerWaalsContact CE-O 3.28Å; K31-G33 WeakPolarHBondContact CE-O 3.46Å |
| 34 | R | 92.1 | Very high | 89.1 | Confident | 190 Ų | 190 | 66.4 Ų | 66.4 | 72% | 0.717 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -21.2 | -176.3 | -65.2 | -170.1 | -65.5 | 171.1 | -1 | 114.4 | R32 C66 | R32-R34 PolarHBondContact O-N 2.99Å; R34-C66 WeakPolarHBondContact O-CB 3.46Å |
| 35 | Y | 95.6 | Very high | 91.4 | Very high | 93 Ų | 93 | 63.5 Ų | 63.5 | 37% | 0.365 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 156.3 | -169 | -59.3 | -63.8 | 0 | 0 | 0 | 112.8 | K31 R32 C66 R68 | K31-Y35 WeakPolarHBondContact CG-O 3.44Å; R32-Y35 PolarHBondContact N-O 3.42Å; R32-Y35 PolarHBondContact O-N 3.03Å; R32-Y35 VanDerWaalsContact O-O 3.13Å; Y35-C66 WeakPolarHBondContact CA-O 3.31Å; Y35-C66 HydrophobicContact CD1-CB 4.35Å; Y35-R68 HydrophobicContact CD1-CG 3.72Å; Y35-R68 HydrophobicContact CE1-CG 4.42Å; Y35-R68 HydrophobicContact CG-CG 3.88Å |
| 36 | V | 96.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 112.4 | 168.2 | -179.8 | 0 | 0 | 0 | 0 | 106.8 | W29 K31 V38 C66 I67 R68 Y213 | W29-V36 HydrophobicContact CB-CG1 3.51Å; K31-V36 HydrophobicContact CB-CG2 3.91Å; K31-V36 HydrophobicContact CD-CG2 4.43Å; K31-V36 HydrophobicContact CG-CG2 3.91Å; V36-V38 HydrophobicContact CG1-CG2 4.29Å; V36-C66 PolarHBondContact N-O 2.89Å; V36-I67 HydrophobicContact CB-CD1 3.64Å; V36-I67 HydrophobicContact CG1-CD1 3.87Å; V36-I67 HydrophobicContact CG2-CD1 4Å; V36-I67 CarbonylContact O-C 3.16Å; V36-R68 PolarHBondContact O-N 2.68Å; V36-Y213 HydrophobicContact CB-CD1 4.24Å; V36-Y213 HydrophobicContact CG1-CD1 3.9Å; V36-Y213 HydrophobicContact CG1-CE1 3.86Å; V36-Y213 HydrophobicContact CG2-CD1 3.45Å; V36-Y213 VanDerWaalsContact CG2-CD1 3.45Å; V36-Y213 HydrophobicContact CG2-CE1 4.27Å; V36-Y213 HydrophobicContact CG2-CG 3.92Å |
| 37 | T | 97.3 | Very high | 94.9 | Very high | 49 Ų | 49 | 59.1 Ų | 59.1 | 30% | 0.301 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 121.8 | -179.4 | -60.5 | 0 | 0 | 0 | 0 | 109.6 | R68 V70 | T37-R68 CarbonylContact C-O 3.6Å; T37-R68 WeakPolarHBondContact CA-O 3.29Å; T37-V70 HydrophobicContact CG2-CB 4.26Å; T37-V70 HydrophobicContact CG2-CG1 3.86Å; T37-V70 HydrophobicContact CG2-CG2 3.35Å |
| 38 | V | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 100.4 | 176.7 | -176.4 | 0 | 0 | 0 | 0 | 108.3 | W29 V36 I67 R68 F69 V70 I80 L122 | W29-V38 HydrophobicContact CB-CG2 4.12Å; W29-V38 HydrophobicContact CD2-CB 4.42Å; W29-V38 HydrophobicContact CD2-CG1 4.01Å; W29-V38 HydrophobicContact CD2-CG2 3.9Å; W29-V38 HydrophobicContact CE3-CB 4.43Å; W29-V38 HydrophobicContact CE3-CG1 4.12Å; W29-V38 HydrophobicContact CE3-CG2 4.23Å; W29-V38 HydrophobicContact CG-CG2 3.82Å; W29-V38 HydrophobicContact CH2-CG1 4.16Å; W29-V38 HydrophobicContact CZ2-CG1 4.03Å; W29-V38 HydrophobicContact CZ3-CG1 4.2Å; V36-V38 HydrophobicContact CG1-CG2 4.29Å; V38-I67 HydrophobicContact CG2-CG2 3.89Å; V38-R68 PolarHBondContact N-O 3.23Å; V38-F69 HydrophobicContact CB-CD1 3.85Å; V38-F69 HydrophobicContact CB-CE1 3.86Å; V38-F69 HydrophobicContact CG1-CD1 3.98Å; V38-F69 HydrophobicContact CG1-CE1 3.78Å; V38-F69 HydrophobicContact CG2-CE1 4.48Å; V38-F69 WeakPolarHBondContact O-CA 3.4Å; V38-V70 PolarHBondContact O-N 3.3Å; V38-V70 VanDerWaalsContact O-N 3.16Å; V38-I80 HydrophobicContact CG1-CD1 3.55Å; V38-I80 HydrophobicContact CG1-CG1 4.06Å; V38-L122 HydrophobicContact CG2-CD2 4.3Å |
| 39 | P | 98.4 | Very high | 96.2 | Very high | 4 Ų | 4 | 68.4 Ų | 68.4 | 3% | 0.026 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 141.3 | 176.9 | -18.9 | 33.1 | 0 | 0 | 0 | 111 | V70 Y76 Y79 I80 | P39-V70 CarbonylContact C-O 3.53Å; P39-V70 VanDerWaalsContact CA-O 3.24Å; P39-V70 WeakPolarHBondContact CA-O 3.31Å; P39-V70 HydrophobicContact CB-CG2 4.12Å; P39-V70 HydrophobicContact CG-CG2 4.17Å; P39-Y76 HydrophobicContact CB-CD1 4.25Å; P39-Y76 HydrophobicContact CB-CD2 3.58Å; P39-Y76 HydrophobicContact CB-CE2 4.03Å; P39-Y76 HydrophobicContact CB-CG 3.69Å; P39-Y76 HydrophobicContact CG-CD1 3.39Å; P39-Y76 HydrophobicContact CG-CD2 3.67Å; P39-Y76 HydrophobicContact CG-CE1 3.8Å; P39-Y76 HydrophobicContact CG-CE2 4.03Å; P39-Y76 HydrophobicContact CG-CG 3.33Å; P39-Y79 CarbonylContact O-C 3.58Å; P39-Y79 WeakPolarHBondContact O-CA 3.46Å; P39-Y79 WeakPolarHBondContact O-CB 3.49Å; P39-I80 PolarHBondContact O-N 3.27Å |
| 40 | Y | 98.6 | Very high | 96.4 | Very high | 37 Ų | 37 | 69.8 Ų | 69.8 | 15% | 0.145 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 151.5 | 179.6 | 77.1 | -85.5 | 0 | 0 | 0 | 113.5 | I42 L55 L58 F69 V70 P71 Y72 I80 F82 | Y40-I42 HydrophobicContact CD2-CD1 4.22Å; Y40-I42 HydrophobicContact CD2-CG1 3.82Å; Y40-I42 HydrophobicContact CE2-CD1 3.81Å; Y40-I42 HydrophobicContact CE2-CG1 3.86Å; Y40-L55 HydrophobicContact CE2-CD2 3.94Å; Y40-L55 WeakPolarHBondContact OH-CD2 3.48Å; Y40-L58 HydrophobicContact CD1-CD1 4.13Å; Y40-L58 HydrophobicContact CD2-CD1 4.08Å; Y40-L58 HydrophobicContact CE1-CD1 4.2Å; Y40-L58 HydrophobicContact CE2-CD1 4.18Å; Y40-L58 HydrophobicContact CG-CD1 4.07Å; Y40-F69 HydrophobicContact CD1-CB 3.66Å; Y40-F69 HydrophobicContact CD1-CD1 4.49Å; Y40-F69 HydrophobicContact CE1-CB 3.77Å; Y40-V70 WeakPolarHBondContact CD1-O 3.27Å; Y40-V70 PolarHBondContact N-O 3.24Å; Y40-P71 CarbonylContact O-C 3.47Å; Y40-Y72 WeakPolarHBondContact O-CB 3.43Å; Y40-Y72 PolarHBondContact O-N 2.91Å; Y40-I80 CarbonylContact C-O 3.6Å; Y40-I80 WeakPolarHBondContact CA-O 3.47Å; Y40-F82 HydrophobicContact CD2-CD2 4.47Å; Y40-F82 HydrophobicContact CD2-CE2 4.4Å; Y40-F82 HydrophobicContact CG-CE2 4.47Å |
| 41 | Y | 98.3 | Very high | 96.7 | Very high | 80 Ų | 80 | 70 Ų | 70 | 31% | 0.314 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 134.8 | 167.4 | 172 | -100.4 | 0 | 0 | 0 | 108.4 | D44 I80 R81 F82 | Y41-D44 PolarHBondContact OH-OD2 3.25Å; Y41-I80 PolarHBondContact N-O 2.71Å; Y41-R81 CarbonylContact O-C 3.29Å; Y41-R81 WeakPolarHBondContact O-CA 3.49Å; Y41-F82 PolarHBondContact O-N 2.76Å |
| 42 | I | 98.6 | Very high | 97 | Very high | 2 Ų | 2 | 71.3 Ų | 71.3 | 1% | 0.01 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 124.3 | 171.9 | -56.5 | 170.7 | 0 | 0 | 0 | 107.1 | Y40 Y46 R51 I54 L55 F82 | Y40-I42 HydrophobicContact CD2-CD1 4.22Å; Y40-I42 HydrophobicContact CD2-CG1 3.82Å; Y40-I42 HydrophobicContact CE2-CD1 3.81Å; Y40-I42 HydrophobicContact CE2-CG1 3.86Å; I42-Y46 HydrophobicContact CG2-CD2 3.52Å; I42-Y46 HydrophobicContact CG2-CE2 4.24Å; I42-Y46 HydrophobicContact CG2-CG 4.06Å; I42-R51 HydrophobicContact CG2-CG 3.92Å; I42-R51 PolarHBondContact O-NH1 2.8Å; I42-R51 PolarHBondContact O-NH2 2.9Å; I42-I54 HydrophobicContact CD1-CB 4.15Å; I42-I54 HydrophobicContact CD1-CG2 3.77Å; I42-I54 HydrophobicContact CG1-CG2 4.17Å; I42-I54 HydrophobicContact CG2-CD1 3.86Å; I42-L55 HydrophobicContact CD1-CD2 3.92Å; I42-L55 HydrophobicContact CD1-CG 4.01Å; I42-F82 HydrophobicContact CG1-CB 4.31Å; I42-F82 HydrophobicContact CG1-CD2 3.92Å; I42-F82 HydrophobicContact CG1-CG 4.43Å; I42-F82 HydrophobicContact CG2-CB 4.33Å |
| 43 | S | 98.2 | Very high | 97.4 | Very high | 14 Ų | 14 | 65 Ų | 65 | 10% | 0.098 | 33% | 0.327 | C | S | . | . | trans | -53.8 | 140.1 | -179.9 | 173.6 | 0 | 0 | 0 | 0 | 112.4 | S45 Y46 R51 F82 | S43-S45 PolarHBondContact O-N 3.22Å; S43-S45 VanDerWaalsContact O-N 3.14Å; S43-S45 WeakPolarHBondContact OG-CB 3.38Å; S43-S45 PolarHBondContact OG-N 3.04Å; S43-S45 VanDerWaalsContact OG-N 3.12Å; S43-S45 PolarHBondContact OG-OG 2.71Å; S43-Y46 WeakPolarHBondContact O-CD2 3.28Å; S43-Y46 PolarHBondContact O-N 3.05Å; S43-R51 PolarHBondContact O-NH1 3.07Å; S43-F82 VanDerWaalsContact CB-O 3.26Å; S43-F82 WeakPolarHBondContact CB-O 3.29Å; S43-F82 PolarHBondContact N-O 3.03Å | ||
| 44 | D | 97.9 | Very high | 97.8 | Very high | 122 Ų | 122 | 61.5 Ų | 61.5 | 65% | 0.652 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -10.6 | 174.3 | -58.3 | -37.4 | 0 | 0 | 0 | 112.4 | Y41 Y46 R51 | Y41-D44 PolarHBondContact OH-OD2 3.25Å; D44-Y46 PolarHBondContact O-N 3.45Å; D44-R51 IonicContact OD1-NH1 3.9Å |
| 45 | S | 98.1 | Very high | 98.1 | Very high | 77 Ų | 77 | 55.7 Ų | 55.7 | 54% | 0.538 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -24.9 | 167.8 | -55.5 | 0 | 0 | 0 | 0 | 112.4 | S43 K105 | S43-S45 PolarHBondContact O-N 3.22Å; S43-S45 VanDerWaalsContact O-N 3.14Å; S43-S45 WeakPolarHBondContact OG-CB 3.38Å; S43-S45 PolarHBondContact OG-N 3.04Å; S43-S45 VanDerWaalsContact OG-N 3.12Å; S43-S45 PolarHBondContact OG-OG 2.71Å; S45-K105 PolarHBondContact O-NZ 2.85Å |
| 46 | Y | 98.4 | Very high | 98.2 | Very high | 8 Ų | 8 | 52.7 Ų | 52.7 | 3% | 0.031 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -77.2 | 131.5 | 174.7 | -67.7 | -78.3 | 0 | 0 | 0 | 112.5 | I42 S43 D44 E50 I54 F82 E83 P84 L103 K105 L109 | I42-Y46 HydrophobicContact CG2-CD2 3.52Å; I42-Y46 HydrophobicContact CG2-CE2 4.24Å; I42-Y46 HydrophobicContact CG2-CG 4.06Å; S43-Y46 WeakPolarHBondContact O-CD2 3.28Å; S43-Y46 PolarHBondContact O-N 3.05Å; D44-Y46 PolarHBondContact O-N 3.45Å; Y46-E50 WeakPolarHBondContact CA-OE2 3.29Å; Y46-E50 HydrophobicContact CD1-CB 3.95Å; Y46-I54 HydrophobicContact CD1-CD1 3.85Å; Y46-I54 HydrophobicContact CD2-CD1 4.05Å; Y46-I54 HydrophobicContact CE1-CD1 3.9Å; Y46-I54 HydrophobicContact CE2-CD1 4.02Å; Y46-I54 HydrophobicContact CG-CD1 3.97Å; Y46-F82 HydrophobicContact CE2-CB 4.32Å; Y46-F82 WeakPolarHBondContact CE2-O 3.36Å; Y46-E83 PolarHBondContact OH-O 3.45Å; Y46-E83 VanDerWaalsContact OH-O 3.07Å; Y46-P84 HydrophobicContact CE1-CB 4.03Å; Y46-P84 HydrophobicContact CE2-CB 4.43Å; Y46-P84 HydrophobicContact CE2-CG 4.36Å; Y46-P84 VanDerWaalsContact OH-CA 3.29Å; Y46-P84 WeakPolarHBondContact OH-CA 3.39Å; Y46-L103 WeakPolarHBondContact OH-CB 3.47Å; Y46-L103 PolarHBondContact OH-O 3.27Å; Y46-K105 HydrophobicContact CD1-CD 4.22Å; Y46-K105 HydrophobicContact CD1-CG 4.24Å; Y46-K105 HydrophobicContact CE1-CD 4.15Å; Y46-K105 HydrophobicContact CE1-CG 3.79Å; Y46-L109 HydrophobicContact CD1-CD2 4.37Å; Y46-L109 HydrophobicContact CE1-CD1 4.49Å; Y46-L109 HydrophobicContact CE1-CD2 3.92Å |
| 47 | T | 98.4 | Very high | 98.3 | Very high | 77 Ų | 77 | 52.8 Ų | 52.8 | 47% | 0.472 | 27% | 0.272 | S | S | . | . | trans | -66.4 | 163.5 | 171.3 | 74.1 | 0 | 0 | 0 | 0 | 110.5 | E49 E50 R51 | T47-E49 VanDerWaalsContact C-N 3.25Å; T47-E49 PolarHBondContact O-N 3.1Å; T47-E50 PolarHBondContact N-OE2 2.86Å; T47-E50 PolarHBondContact O-N 2.88Å; T47-E50 VanDerWaalsContact OG1-CG 3.28Å; T47-E50 WeakPolarHBondContact OG1-CG 3.3Å; T47-E50 PolarHBondContact OG1-N 3.1Å; T47-E50 PolarHBondContact OG1-OE2 3.25Å; T47-R51 VanDerWaalsContact O-CG 3.25Å; T47-R51 WeakPolarHBondContact O-CG 3.34Å; T47-R51 PolarHBondContact O-N 2.89Å | ||
| 48 | Q | 98.2 | Very high | 98.4 | Very high | 146 Ų | 146 | 50.6 Ų | 50.6 | 68% | 0.682 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -57.8 | -38.3 | 179.8 | -166.9 | 177.1 | 40.5 | 0 | 0 | 112.7 | R51 K52 | Q48-R51 PolarHBondContact O-N 2.91Å; Q48-K52 WeakPolarHBondContact O-CG 3.26Å; Q48-K52 PolarHBondContact O-N 3.12Å; Q48-K52 VanDerWaalsContact O-N 3.09Å |
| 49 | E | 98.1 | Very high | 98.4 | Very high | 108 Ų | 108 | 55.8 Ų | 55.8 | 51% | 0.505 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -69.3 | -41.2 | 177.7 | -63.9 | -49.9 | 140.7 | 0 | 0 | 112.3 | T47 R51 K52 I53 | T47-E49 VanDerWaalsContact C-N 3.25Å; T47-E49 PolarHBondContact O-N 3.1Å; E49-R51 VanDerWaalsContact C-N 3.31Å; E49-R51 PolarHBondContact O-N 2.99Å; E49-K52 VanDerWaalsContact CD-NZ 3.33Å; E49-K52 WeakPolarHBondContact O-CB 3.45Å; E49-K52 PolarHBondContact O-N 3.31Å; E49-K52 VanDerWaalsContact O-N 3.16Å; E49-K52 IonicContact OE1-NZ 2.64Å; E49-K52 PolarHBondContact OE1-NZ 2.66Å; E49-K52 WeakPolarHBondContact OE2-CD 3Å; E49-K52 IonicContact OE2-NZ 3.62Å; E49-K52 PolarHBondContact OE2-NZ 3.4Å; E49-K52 VanDerWaalsContact OE2-NZ 3.15Å; E49-I53 WeakPolarHBondContact O-CG1 3.47Å; E49-I53 PolarHBondContact O-N 3.19Å; E49-I53 VanDerWaalsContact O-N 3.16Å |
| 50 | E | 98.4 | Very high | 98.3 | Very high | 34 Ų | 34 | 56.5 Ų | 56.5 | 16% | 0.159 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.2 | -37.1 | 176 | -61.9 | 170.5 | 140.9 | 0 | 0 | 111.7 | Y46 T47 K52 I53 I54 K105 L109 | Y46-E50 WeakPolarHBondContact CA-OE2 3.29Å; Y46-E50 HydrophobicContact CD1-CB 3.95Å; T47-E50 PolarHBondContact N-OE2 2.86Å; T47-E50 PolarHBondContact O-N 2.88Å; T47-E50 VanDerWaalsContact OG1-CG 3.28Å; T47-E50 WeakPolarHBondContact OG1-CG 3.3Å; T47-E50 PolarHBondContact OG1-N 3.1Å; T47-E50 PolarHBondContact OG1-OE2 3.25Å; E50-K52 VanDerWaalsContact C-N 3.32Å; E50-K52 PolarHBondContact O-N 2.97Å; E50-I53 WeakPolarHBondContact O-CB 3.39Å; E50-I53 PolarHBondContact O-N 2.74Å; E50-I54 WeakPolarHBondContact O-CG1 3.09Å; E50-I54 PolarHBondContact O-N 2.81Å; E50-I54 VanDerWaalsContact O-N 3.09Å; E50-K105 WeakPolarHBondContact OE1-CD 3.5Å; E50-K105 IonicContact OE1-NZ 3.33Å; E50-K105 PolarHBondContact OE1-NZ 2.74Å; E50-K105 WeakPolarHBondContact OE2-CE 3.14Å; E50-K105 IonicContact OE2-NZ 3.4Å; E50-K105 PolarHBondContact OE2-NZ 2.84Å; E50-L109 HydrophobicContact CB-CD1 3.65Å; E50-L109 HydrophobicContact CG-CD1 3.44Å; E50-L109 VanDerWaalsContact CG-CD1 3.44Å |
| 51 | R | 98.5 | Very high | 98.3 | Very high | 71 Ų | 71 | 54.8 Ų | 54.8 | 27% | 0.268 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.9 | -41 | 173.1 | -67 | 173 | 82.1 | 89.1 | -0.4 | 111.2 | I42 S43 D44 T47 Q48 E49 I53 I54 L55 | I42-R51 HydrophobicContact CG2-CG 3.92Å; I42-R51 PolarHBondContact O-NH1 2.8Å; I42-R51 PolarHBondContact O-NH2 2.9Å; S43-R51 PolarHBondContact O-NH1 3.07Å; D44-R51 IonicContact OD1-NH1 3.9Å; T47-R51 VanDerWaalsContact O-CG 3.25Å; T47-R51 WeakPolarHBondContact O-CG 3.34Å; T47-R51 PolarHBondContact O-N 2.89Å; Q48-R51 PolarHBondContact O-N 2.91Å; E49-R51 VanDerWaalsContact C-N 3.31Å; E49-R51 PolarHBondContact O-N 2.99Å; R51-I53 VanDerWaalsContact C-N 3.31Å; R51-I53 PolarHBondContact O-N 3.45Å; R51-I54 PolarHBondContact O-N 3.05Å; R51-L55 WeakPolarHBondContact O-CB 3.3Å; R51-L55 WeakPolarHBondContact O-CG 3.33Å; R51-L55 PolarHBondContact O-N 2.99Å |
| 52 | K | 98.3 | Very high | 98.3 | Very high | 108 Ų | 108 | 53.7 Ų | 53.7 | 47% | 0.47 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.2 | -38.6 | 175.1 | -71.1 | 173.5 | -169.6 | 164.6 | 0 | 112 | Q48 E49 E50 L55 G56 | Q48-K52 WeakPolarHBondContact O-CG 3.26Å; Q48-K52 PolarHBondContact O-N 3.12Å; Q48-K52 VanDerWaalsContact O-N 3.09Å; E49-K52 VanDerWaalsContact CD-NZ 3.33Å; E49-K52 WeakPolarHBondContact O-CB 3.45Å; E49-K52 PolarHBondContact O-N 3.31Å; E49-K52 VanDerWaalsContact O-N 3.16Å; E49-K52 IonicContact OE1-NZ 2.64Å; E49-K52 PolarHBondContact OE1-NZ 2.66Å; E49-K52 WeakPolarHBondContact OE2-CD 3Å; E49-K52 IonicContact OE2-NZ 3.62Å; E49-K52 PolarHBondContact OE2-NZ 3.4Å; E49-K52 VanDerWaalsContact OE2-NZ 3.15Å; E50-K52 VanDerWaalsContact C-N 3.32Å; E50-K52 PolarHBondContact O-N 2.97Å; K52-L55 PolarHBondContact O-N 3.03Å; K52-G56 PolarHBondContact O-N 2.63Å |
| 53 | I | 98.4 | Very high | 98.2 | Very high | 72 Ų | 72 | 60 Ų | 60 | 37% | 0.369 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.9 | -47.2 | 176.1 | -60.4 | 169.6 | 0 | 0 | 0 | 110.5 | E49 E50 R51 G56 G57 I114 | E49-I53 WeakPolarHBondContact O-CG1 3.47Å; E49-I53 PolarHBondContact O-N 3.19Å; E49-I53 VanDerWaalsContact O-N 3.16Å; E50-I53 WeakPolarHBondContact O-CB 3.39Å; E50-I53 PolarHBondContact O-N 2.74Å; R51-I53 VanDerWaalsContact C-N 3.31Å; R51-I53 PolarHBondContact O-N 3.45Å; I53-G56 PolarHBondContact O-N 3.13Å; I53-G57 PolarHBondContact O-N 2.97Å; I53-G57 VanDerWaalsContact O-N 3.08Å; I53-I114 HydrophobicContact CG2-CD1 3.75Å; I53-I114 WeakPolarHBondContact O-CD1 3.17Å |
| 54 | I | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.2 | -49.3 | 176.7 | -63.3 | 168.5 | 0 | 0 | 0 | 110.5 | I42 Y46 E50 R51 G56 G57 L58 F82 L103 L109 I114 | I42-I54 HydrophobicContact CD1-CB 4.15Å; I42-I54 HydrophobicContact CD1-CG2 3.77Å; I42-I54 HydrophobicContact CG1-CG2 4.17Å; I42-I54 HydrophobicContact CG2-CD1 3.86Å; Y46-I54 HydrophobicContact CD1-CD1 3.85Å; Y46-I54 HydrophobicContact CD2-CD1 4.05Å; Y46-I54 HydrophobicContact CE1-CD1 3.9Å; Y46-I54 HydrophobicContact CE2-CD1 4.02Å; Y46-I54 HydrophobicContact CG-CD1 3.97Å; E50-I54 WeakPolarHBondContact O-CG1 3.09Å; E50-I54 PolarHBondContact O-N 2.81Å; E50-I54 VanDerWaalsContact O-N 3.09Å; R51-I54 PolarHBondContact O-N 3.05Å; I54-G56 VanDerWaalsContact C-N 3.33Å; I54-G56 PolarHBondContact O-N 3.39Å; I54-G57 WeakPolarHBondContact O-CA 3.4Å; I54-G57 PolarHBondContact O-N 3.31Å; I54-G57 VanDerWaalsContact O-N 3.08Å; I54-L58 WeakPolarHBondContact O-CG 3.2Å; I54-L58 PolarHBondContact O-N 2.85Å; I54-F82 HydrophobicContact CD1-CB 4.41Å; I54-F82 HydrophobicContact CG2-CD1 4.07Å; I54-F82 HydrophobicContact CG2-CD2 4.15Å; I54-F82 HydrophobicContact CG2-CE1 4.3Å; I54-F82 HydrophobicContact CG2-CE2 4.39Å; I54-F82 HydrophobicContact CG2-CG 3.99Å; I54-F82 HydrophobicContact CG2-CZ 4.48Å; I54-L103 HydrophobicContact CD1-CD1 4.11Å; I54-L103 HydrophobicContact CG1-CD1 3.88Å; I54-L109 HydrophobicContact CD1-CD2 4.14Å; I54-L109 HydrophobicContact CG1-CD2 3.96Å; I54-I114 HydrophobicContact CG1-CD1 4.31Å |
| 55 | L | 98.7 | Very high | 98.1 | Very high | 67 Ų | 67 | 56.7 Ų | 56.7 | 35% | 0.351 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61 | -39.2 | 178.9 | -69.8 | 171.1 | 0 | 0 | 0 | 112.5 | Y40 I42 R51 K52 G57 L58 Q59 | Y40-L55 HydrophobicContact CE2-CD2 3.94Å; Y40-L55 WeakPolarHBondContact OH-CD2 3.48Å; I42-L55 HydrophobicContact CD1-CD2 3.92Å; I42-L55 HydrophobicContact CD1-CG 4.01Å; R51-L55 WeakPolarHBondContact O-CB 3.3Å; R51-L55 WeakPolarHBondContact O-CG 3.33Å; R51-L55 PolarHBondContact O-N 2.99Å; K52-L55 PolarHBondContact O-N 3.03Å; L55-G57 VanDerWaalsContact C-N 3.3Å; L55-G57 PolarHBondContact O-N 3Å; L55-L58 HydrophobicContact CD2-CD1 4.49Å; L55-L58 PolarHBondContact O-N 2.85Å; L55-Q59 WeakPolarHBondContact O-CB 3.35Å; L55-Q59 PolarHBondContact O-N 2.79Å |
| 56 | G | 98.3 | Very high | 98.1 | Very high | 31 Ų | 31 | 53.4 Ų | 53.4 | 32% | 0.32 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.2 | -37.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | K52 I53 I54 S60 | K52-G56 PolarHBondContact O-N 2.63Å; I53-G56 PolarHBondContact O-N 3.13Å; I54-G56 VanDerWaalsContact C-N 3.33Å; I54-G56 PolarHBondContact O-N 3.39Å; G56-S60 PolarHBondContact O-N 2.84Å |
| 57 | G | 98.3 | Very high | 98.1 | Very high | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.3 | -45.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | I53 I54 L55 S60 F61 | I53-G57 PolarHBondContact O-N 2.97Å; I53-G57 VanDerWaalsContact O-N 3.08Å; I54-G57 WeakPolarHBondContact O-CA 3.4Å; I54-G57 PolarHBondContact O-N 3.31Å; I54-G57 VanDerWaalsContact O-N 3.08Å; L55-G57 VanDerWaalsContact C-N 3.3Å; L55-G57 PolarHBondContact O-N 3Å; G57-S60 WeakPolarHBondContact O-CB 3.44Å; G57-S60 PolarHBondContact O-N 2.75Å; G57-S60 PolarHBondContact O-OG 2.98Å; G57-F61 WeakPolarHBondContact O-CD2 3.25Å |
| 58 | L | 98.8 | Very high | 98.1 | Very high | 4 Ų | 4 | 52.5 Ų | 52.5 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.5 | -46.6 | 176.5 | -61.4 | -172 | 0 | 0 | 0 | 112.3 | Y40 I54 L55 S60 F61 E62 F69 F82 V118 | Y40-L58 HydrophobicContact CD1-CD1 4.13Å; Y40-L58 HydrophobicContact CD2-CD1 4.08Å; Y40-L58 HydrophobicContact CE1-CD1 4.2Å; Y40-L58 HydrophobicContact CE2-CD1 4.18Å; Y40-L58 HydrophobicContact CG-CD1 4.07Å; I54-L58 WeakPolarHBondContact O-CG 3.2Å; I54-L58 PolarHBondContact O-N 2.85Å; L55-L58 HydrophobicContact CD2-CD1 4.49Å; L55-L58 PolarHBondContact O-N 2.85Å; L58-S60 PolarHBondContact O-N 3.48Å; L58-S60 VanDerWaalsContact O-N 3.16Å; L58-F61 PolarHBondContact O-N 3.37Å; L58-F61 VanDerWaalsContact O-N 3.07Å; L58-E62 PolarHBondContact O-N 3.45Å; L58-F69 HydrophobicContact CB-CB 4.37Å; L58-F69 HydrophobicContact CB-CD2 3.69Å; L58-F69 HydrophobicContact CB-CE2 4.14Å; L58-F69 HydrophobicContact CB-CG 4Å; L58-F69 HydrophobicContact CD1-CB 4.07Å; L58-F69 HydrophobicContact CD1-CD1 4.17Å; L58-F69 HydrophobicContact CD1-CG 4.01Å; L58-F69 HydrophobicContact CD2-CD1 3.91Å; L58-F69 HydrophobicContact CD2-CD2 4.1Å; L58-F69 HydrophobicContact CD2-CE1 3.8Å; L58-F69 HydrophobicContact CD2-CE2 3.97Å; L58-F69 HydrophobicContact CD2-CG 4.07Å; L58-F69 HydrophobicContact CD2-CZ 3.84Å; L58-F69 HydrophobicContact CG-CD1 4.47Å; L58-F69 HydrophobicContact CG-CD2 4.31Å; L58-F69 HydrophobicContact CG-CG 4.24Å; L58-F82 HydrophobicContact CD1-CE2 4.11Å; L58-F82 HydrophobicContact CD1-CZ 4.45Å; L58-F82 HydrophobicContact CD2-CE2 4.24Å; L58-F82 HydrophobicContact CD2-CZ 3.77Å; L58-V118 HydrophobicContact CD2-CG2 3.92Å |
| 59 | Q | 98.4 | Very high | 98.1 | Very high | 108 Ų | 108 | 46.2 Ų | 46.2 | 51% | 0.505 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -57 | -33.5 | -179.9 | -170.4 | 178.5 | 28.3 | 0 | 0 | 112.2 | L55 F61 E62 L63 | L55-Q59 WeakPolarHBondContact O-CB 3.35Å; L55-Q59 PolarHBondContact O-N 2.79Å; Q59-F61 PolarHBondContact O-N 2.91Å; Q59-E62 PolarHBondContact O-N 2.8Å; Q59-L63 HydrophobicContact CG-CD1 4.26Å; Q59-L63 HydrophobicContact CG-CG 4.34Å; Q59-L63 WeakPolarHBondContact O-CG 3.44Å; Q59-L63 PolarHBondContact O-N 2.91Å |
| 60 | S | 97.7 | Very high | 98.1 | Very high | 20 Ų | 20 | 42.7 Ų | 42.7 | 14% | 0.14 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.5 | -32.2 | 178.5 | 77.3 | 0 | 0 | 0 | 0 | 114 | G56 G57 L58 T64 Q115 | G56-S60 PolarHBondContact O-N 2.84Å; G57-S60 WeakPolarHBondContact O-CB 3.44Å; G57-S60 PolarHBondContact O-N 2.75Å; G57-S60 PolarHBondContact O-OG 2.98Å; L58-S60 PolarHBondContact O-N 3.48Å; L58-S60 VanDerWaalsContact O-N 3.16Å; S60-T64 PolarHBondContact O-OG1 2.91Å; S60-Q115 PolarHBondContact OG-NE2 3.05Å |
| 61 | F | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -75.9 | -38.7 | 173.3 | -68.4 | -93.8 | 0 | 0 | 0 | 111.4 | G57 L58 Q59 L63 T64 T65 F69 Q115 V118 L119 L122 M201 | G57-F61 WeakPolarHBondContact O-CD2 3.25Å; L58-F61 PolarHBondContact O-N 3.37Å; L58-F61 VanDerWaalsContact O-N 3.07Å; Q59-F61 PolarHBondContact O-N 2.91Å; F61-L63 PolarHBondContact O-N 3.44Å; F61-T64 PolarHBondContact O-N 2.86Å; F61-T65 WeakPolarHBondContact O-CA 2.99Å; F61-T65 WeakPolarHBondContact O-CB 3.13Å; F61-T65 PolarHBondContact O-N 3.47Å; F61-T65 PolarHBondContact O-OG1 3.32Å; F61-F69 HydrophobicContact CB-CE2 3.91Å; F61-F69 HydrophobicContact CD2-CE2 4.24Å; F61-F69 HydrophobicContact CG-CE2 4.24Å; F61-Q115 HydrophobicContact CE2-CB 4.24Å; F61-Q115 HydrophobicContact CE2-CG 3.89Å; F61-Q115 HydrophobicContact CZ-CB 4.2Å; F61-Q115 HydrophobicContact CZ-CG 4.25Å; F61-V118 HydrophobicContact CD2-CG1 4.04Å; F61-V118 HydrophobicContact CE1-CG1 4.06Å; F61-V118 HydrophobicContact CE2-CB 3.79Å; F61-V118 HydrophobicContact CE2-CG1 3.51Å; F61-V118 HydrophobicContact CZ-CB 3.8Å; F61-V118 HydrophobicContact CZ-CG1 3.53Å; F61-L119 HydrophobicContact CE1-CD2 3.93Å; F61-L119 HydrophobicContact CE1-CG 4.01Å; F61-L119 HydrophobicContact CZ-CG 4.11Å; F61-L122 HydrophobicContact CD1-CD1 3.91Å; F61-L122 HydrophobicContact CE1-CD1 3.79Å; F61-M201 HydrophobicContact CD1-CE 3.76Å; F61-M201 HydrophobicContact CD1-SD 4.01Å; F61-M201 HydrophobicContact CD2-CE 4.31Å; F61-M201 HydrophobicContact CE1-CE 3.69Å; F61-M201 HydrophobicContact CE1-SD 3.39Å; F61-M201 WeakPolarHBondContact CE1-SD 3.16Å; F61-M201 HydrophobicContact CE2-CE 4.25Å; F61-M201 HydrophobicContact CG-CE 4.06Å; F61-M201 HydrophobicContact CZ-CE 3.94Å; F61-M201 HydrophobicContact CZ-SD 3.7Å |
| 62 | E | 97.8 | Very high | 98 | Very high | 58 Ų | 58 | 45.8 Ų | 45.8 | 27% | 0.271 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63.9 | -33.4 | -178.4 | -55.5 | -171.1 | 148.8 | 0 | 0 | 112.2 | L58 Q59 R68 F69 | L58-E62 PolarHBondContact O-N 3.45Å; Q59-E62 PolarHBondContact O-N 2.8Å; E62-R68 PolarHBondContact O-NH1 2.98Å; E62-R68 VanDerWaalsContact O-NH1 3.14Å; E62-R68 PolarHBondContact O-NH2 2.94Å; E62-R68 VanDerWaalsContact O-NH2 3.17Å; E62-F69 HydrophobicContact CG-CD2 4.03Å; E62-F69 PolarHBondContact OE1-N 3.29Å |
| 63 | L | 97 | Very high | 97.9 | Very high | 133 Ų | 133 | 42.7 Ų | 42.7 | 70% | 0.696 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -72.3 | -26.6 | 177.3 | -69.7 | 172.9 | 0 | 0 | 0 | 113.7 | Q59 F61 | Q59-L63 HydrophobicContact CG-CD1 4.26Å; Q59-L63 HydrophobicContact CG-CG 4.34Å; Q59-L63 WeakPolarHBondContact O-CG 3.44Å; Q59-L63 PolarHBondContact O-N 2.91Å; F61-L63 PolarHBondContact O-N 3.44Å |
| 64 | T | 96.5 | Very high | 97.7 | Very high | 56 Ų | 56 | 46.5 Ų | 46.5 | 34% | 0.344 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -119.1 | -8.3 | -168.5 | 56.7 | 0 | 0 | 0 | 0 | 113.7 | S60 F61 I206 N210 | S60-T64 PolarHBondContact O-OG1 2.91Å; F61-T64 PolarHBondContact O-N 2.86Å; T64-I206 HydrophobicContact CG2-CD1 4.13Å; T64-N210 PolarHBondContact O-ND2 3.22Å |
| 65 | T | 97.5 | Very high | 97.5 | Very high | 11 Ų | 11 | 54 Ų | 54 | 7% | 0.067 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -142.5 | 177.5 | -175.3 | 77.5 | 0 | 0 | 0 | 0 | 112.2 | F61 I67 R68 I206 V209 N210 | F61-T65 WeakPolarHBondContact O-CA 2.99Å; F61-T65 WeakPolarHBondContact O-CB 3.13Å; F61-T65 PolarHBondContact O-N 3.47Å; F61-T65 PolarHBondContact O-OG1 3.32Å; T65-I67 VanDerWaalsContact C-N 3.33Å; T65-I67 WeakPolarHBondContact OG1-CB 3.36Å; T65-I67 WeakPolarHBondContact OG1-CG1 3.43Å; T65-I67 PolarHBondContact OG1-N 2.53Å; T65-I67 VanDerWaalsContact OG1-N 3.13Å; T65-R68 PolarHBondContact O-NH1 3.05Å; T65-I206 HydrophobicContact CG2-CG2 4.32Å; T65-V209 HydrophobicContact CG2-CB 4Å; T65-V209 HydrophobicContact CG2-CG1 3.78Å; T65-N210 WeakPolarHBondContact CA-OD1 3.49Å; T65-N210 VanDerWaalsContact CB-OD1 3.25Å; T65-N210 WeakPolarHBondContact CB-OD1 3.48Å |
| 66 | C | 97.5 | Very high | 97.3 | Very high | 8 Ų | 8 | 53.7 Ų | 53.7 | 5% | 0.054 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -87.3 | 5.3 | 171.5 | 68.2 | 0 | 0 | 0 | 0 | 114.4 | R34 Y35 V36 C215 | R34-C66 WeakPolarHBondContact O-CB 3.46Å; Y35-C66 WeakPolarHBondContact CA-O 3.31Å; Y35-C66 HydrophobicContact CD1-CB 4.35Å; V36-C66 PolarHBondContact N-O 2.89Å; C66-C215 HydrophobicContact CB-CB 3.57Å; C66-C215 WeakPolarHBondContact CB-SG 3.37Å; C66-C215 PolarHBondContact N-SG 3.47Å; C66-C215 WeakPolarHBondContact SG-CA 3.21Å; C66-C215 WeakPolarHBondContact SG-CB 3.45Å; C66-C215 CovalentContact SG-SG 2.04Å; C66-C215 PolarHBondContact SG-SG 3.18Å |
| 67 | I | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 133.4 | 173.9 | -52.9 | -53.3 | 0 | 0 | 0 | 109.3 | V36 V38 T65 F69 L122 V209 Y213 | V36-I67 HydrophobicContact CB-CD1 3.64Å; V36-I67 HydrophobicContact CG1-CD1 3.87Å; V36-I67 HydrophobicContact CG2-CD1 4Å; V36-I67 CarbonylContact O-C 3.16Å; V38-I67 HydrophobicContact CG2-CG2 3.89Å; T65-I67 VanDerWaalsContact C-N 3.33Å; T65-I67 WeakPolarHBondContact OG1-CB 3.36Å; T65-I67 WeakPolarHBondContact OG1-CG1 3.43Å; T65-I67 PolarHBondContact OG1-N 2.53Å; T65-I67 VanDerWaalsContact OG1-N 3.13Å; I67-F69 HydrophobicContact CG2-CD2 4.33Å; I67-F69 HydrophobicContact CG2-CE1 4.35Å; I67-F69 HydrophobicContact CG2-CE2 3.7Å; I67-F69 HydrophobicContact CG2-CZ 3.7Å; I67-L122 HydrophobicContact CD1-CD2 4Å; I67-L122 HydrophobicContact CG1-CD1 4.16Å; I67-L122 HydrophobicContact CG1-CD2 4.22Å; I67-L122 HydrophobicContact CG2-CD2 4.19Å; I67-V209 HydrophobicContact CD1-CG1 4.24Å; I67-V209 HydrophobicContact CG1-CG1 3.81Å; I67-Y213 HydrophobicContact CD1-CD1 4.24Å; I67-Y213 HydrophobicContact CD1-CD2 3.81Å; I67-Y213 HydrophobicContact CD1-CE1 4.48Å; I67-Y213 HydrophobicContact CD1-CE2 4.11Å; I67-Y213 HydrophobicContact CD1-CG 3.87Å |
| 68 | R | 98.1 | Very high | 96.9 | Very high | 67 Ų | 67 | 61.7 Ų | 61.7 | 25% | 0.253 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 121.7 | 178.4 | -66.5 | -64.4 | 177.5 | -87.2 | 11.1 | 109.7 | Y35 V36 T37 V38 E62 T65 | Y35-R68 HydrophobicContact CD1-CG 3.72Å; Y35-R68 HydrophobicContact CE1-CG 4.42Å; Y35-R68 HydrophobicContact CG-CG 3.88Å; V36-R68 PolarHBondContact O-N 2.68Å; T37-R68 CarbonylContact C-O 3.6Å; T37-R68 WeakPolarHBondContact CA-O 3.29Å; V38-R68 PolarHBondContact N-O 3.23Å; E62-R68 PolarHBondContact O-NH1 2.98Å; E62-R68 VanDerWaalsContact O-NH1 3.14Å; E62-R68 PolarHBondContact O-NH2 2.94Å; E62-R68 VanDerWaalsContact O-NH2 3.17Å; T65-R68 PolarHBondContact O-NH1 3.05Å |
| 69 | F | 98.6 | Very high | 96.9 | Very high | 13 Ų | 13 | 63.4 Ų | 63.4 | 6% | 0.057 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 126.7 | 178.8 | -66.7 | -80.3 | 0 | 0 | 0 | 109.3 | V38 Y40 L58 F61 E62 I67 V118 | V38-F69 HydrophobicContact CB-CD1 3.85Å; V38-F69 HydrophobicContact CB-CE1 3.86Å; V38-F69 HydrophobicContact CG1-CD1 3.98Å; V38-F69 HydrophobicContact CG1-CE1 3.78Å; V38-F69 HydrophobicContact CG2-CE1 4.48Å; V38-F69 WeakPolarHBondContact O-CA 3.4Å; Y40-F69 HydrophobicContact CD1-CB 3.66Å; Y40-F69 HydrophobicContact CD1-CD1 4.49Å; Y40-F69 HydrophobicContact CE1-CB 3.77Å; L58-F69 HydrophobicContact CB-CB 4.37Å; L58-F69 HydrophobicContact CB-CD2 3.69Å; L58-F69 HydrophobicContact CB-CE2 4.14Å; L58-F69 HydrophobicContact CB-CG 4Å; L58-F69 HydrophobicContact CD1-CB 4.07Å; L58-F69 HydrophobicContact CD1-CD1 4.17Å; L58-F69 HydrophobicContact CD1-CG 4.01Å; L58-F69 HydrophobicContact CD2-CD1 3.91Å; L58-F69 HydrophobicContact CD2-CD2 4.1Å; L58-F69 HydrophobicContact CD2-CE1 3.8Å; L58-F69 HydrophobicContact CD2-CE2 3.97Å; L58-F69 HydrophobicContact CD2-CG 4.07Å; L58-F69 HydrophobicContact CD2-CZ 3.84Å; L58-F69 HydrophobicContact CG-CD1 4.47Å; L58-F69 HydrophobicContact CG-CD2 4.31Å; L58-F69 HydrophobicContact CG-CG 4.24Å; F61-F69 HydrophobicContact CB-CE2 3.91Å; F61-F69 HydrophobicContact CD2-CE2 4.24Å; F61-F69 HydrophobicContact CG-CE2 4.24Å; E62-F69 HydrophobicContact CG-CD2 4.03Å; E62-F69 PolarHBondContact OE1-N 3.29Å; I67-F69 HydrophobicContact CG2-CD2 4.33Å; I67-F69 HydrophobicContact CG2-CE1 4.35Å; I67-F69 HydrophobicContact CG2-CE2 3.7Å; I67-F69 HydrophobicContact CG2-CZ 3.7Å; F69-V118 HydrophobicContact CE1-CG1 4.28Å; F69-V118 HydrophobicContact CZ-CG1 3.65Å |
| 70 | V | 98.1 | Very high | 96.9 | Very high | 35 Ų | 35 | 58.3 Ų | 58.3 | 21% | 0.212 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 143.6 | -179.9 | -60.9 | 0 | 0 | 0 | 0 | 110.4 | T37 V38 P39 Y40 Y72 Y76 | T37-V70 HydrophobicContact CG2-CB 4.26Å; T37-V70 HydrophobicContact CG2-CG1 3.86Å; T37-V70 HydrophobicContact CG2-CG2 3.35Å; V38-V70 PolarHBondContact O-N 3.3Å; V38-V70 VanDerWaalsContact O-N 3.16Å; P39-V70 CarbonylContact C-O 3.53Å; P39-V70 VanDerWaalsContact CA-O 3.24Å; P39-V70 WeakPolarHBondContact CA-O 3.31Å; P39-V70 HydrophobicContact CB-CG2 4.12Å; P39-V70 HydrophobicContact CG-CG2 4.17Å; Y40-V70 WeakPolarHBondContact CD1-O 3.27Å; Y40-V70 PolarHBondContact N-O 3.24Å; V70-Y72 PolarHBondContact O-N 3.34Å; V70-Y76 HydrophobicContact CG2-CE2 3.92Å |
| 71 | P | 98.1 | Very high | 96.9 | Very high | 94 Ų | 94 | 61.4 Ų | 61.4 | 61% | 0.61 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -54.7 | 135.9 | 172.8 | -26.1 | 35.2 | 0 | 0 | 0 | 111.4 | Y40 | Y40-P71 CarbonylContact O-C 3.47Å |
| 72 | Y | 97.2 | Very high | 96.9 | Very high | 75 Ų | 75 | 61.5 Ų | 61.5 | 29% | 0.294 | 29% | 0.294 | S | S | . | . | trans | -59.9 | 144.9 | 175.9 | 171.4 | -99.3 | 0 | 0 | 0 | 110.9 | Y40 V70 Y76 Y79 | Y40-Y72 WeakPolarHBondContact O-CB 3.43Å; Y40-Y72 PolarHBondContact O-N 2.91Å; V70-Y72 PolarHBondContact O-N 3.34Å; Y72-Y76 WeakPolarHBondContact CE2-O 3.24Å; Y72-Y79 AromaticContact CD2-CD1 3.71Å; Y72-Y79 HydrophobicContact CD2-CD1 3.71Å; Y72-Y79 AromaticContact CD2-CD2 3.53Å; Y72-Y79 HydrophobicContact CD2-CD2 3.53Å; Y72-Y79 HydrophobicContact CD2-CE1 4.19Å; Y72-Y79 AromaticContact CD2-CE2 3.97Å; Y72-Y79 HydrophobicContact CD2-CE2 3.97Å; Y72-Y79 AromaticContact CD2-CG 3.38Å; Y72-Y79 HydrophobicContact CD2-CG 3.38Å; Y72-Y79 AromaticContact CE2-CD1 3.44Å; Y72-Y79 HydrophobicContact CE2-CD1 3.44Å; Y72-Y79 VanDerWaalsContact CE2-CD1 3.44Å; Y72-Y79 AromaticContact CE2-CD2 3.95Å; Y72-Y79 HydrophobicContact CE2-CD2 3.95Å; Y72-Y79 AromaticContact CE2-CE1 3.59Å; Y72-Y79 HydrophobicContact CE2-CE1 3.59Å; Y72-Y79 HydrophobicContact CE2-CE2 4.03Å; Y72-Y79 AromaticContact CE2-CG 3.65Å; Y72-Y79 HydrophobicContact CE2-CG 3.65Å; Y72-Y79 AromaticContact CE2-CZ 3.88Å; Y72-Y79 AromaticContact CG-CD2 3.93Å; Y72-Y79 HydrophobicContact CG-CD2 3.93Å; Y72-Y79 HydrophobicContact CG-CE2 4.21Å; Y72-Y79 HydrophobicContact CG-CG 4.23Å | ||
| 73 | S | 95.8 | Very high | 96.9 | Very high | 43 Ų | 43 | 59.8 Ų | 59.8 | 30% | 0.301 | 29% | 0.286 | S | S | . | . | trans | -151.3 | 160.3 | 169.6 | 54.4 | 0 | 0 | 0 | 0 | 107.8 | K75 Y76 | S73-K75 PolarHBondContact O-N 2.99Å; S73-K75 WeakPolarHBondContact OG-CE 3.31Å; S73-K75 WeakPolarHBondContact OG-CG 3.22Å; S73-Y76 PolarHBondContact O-N 3.22Å; S73-Y76 WeakPolarHBondContact OG-CE2 3.48Å | ||
| 74 | N | 93.4 | Very high | 96.9 | Very high | 152 Ų | 152 | 55.4 Ų | 55.4 | 81% | 0.813 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -7.6 | -170.5 | -52.6 | -4.3 | 0 | 0 | 0 | 114.5 | Y76 | N74-Y76 VanDerWaalsContact C-N 3.31Š|
| 75 | K | 94.2 | Very high | 96.9 | Very high | 159 Ų | 159 | 57.3 Ų | 57.3 | 69% | 0.691 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -17.1 | 172.6 | 74.7 | -170.8 | 179.8 | 179.8 | 0 | 113.5 | S73 | S73-K75 PolarHBondContact O-N 2.99Å; S73-K75 WeakPolarHBondContact OG-CE 3.31Å; S73-K75 WeakPolarHBondContact OG-CG 3.22Å |
| 76 | Y | 94.6 | Very high | 96.7 | Very high | 60 Ų | 60 | 63.5 Ų | 63.5 | 24% | 0.235 | 30% | 0.302 | C | S | . | . | trans | -96.3 | 120.1 | 179.7 | -60.3 | -62.5 | 0 | 0 | 0 | 109.6 | P39 V70 Y72 S73 N74 | P39-Y76 HydrophobicContact CB-CD1 4.25Å; P39-Y76 HydrophobicContact CB-CD2 3.58Å; P39-Y76 HydrophobicContact CB-CE2 4.03Å; P39-Y76 HydrophobicContact CB-CG 3.69Å; P39-Y76 HydrophobicContact CG-CD1 3.39Å; P39-Y76 HydrophobicContact CG-CD2 3.67Å; P39-Y76 HydrophobicContact CG-CE1 3.8Å; P39-Y76 HydrophobicContact CG-CE2 4.03Å; P39-Y76 HydrophobicContact CG-CG 3.33Å; V70-Y76 HydrophobicContact CG2-CE2 3.92Å; Y72-Y76 WeakPolarHBondContact CE2-O 3.24Å; S73-Y76 PolarHBondContact O-N 3.22Å; S73-Y76 WeakPolarHBondContact OG-CE2 3.48Å; N74-Y76 VanDerWaalsContact C-N 3.31Å | ||
| 77 | R | 94 | Very high | 96.6 | Very high | 173 Ų | 173 | 64.1 Ų | 64.1 | 65% | 0.653 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -71 | -49.5 | 171 | 179.3 | -173.1 | 170.8 | 157.2 | -0.2 | 110.9 | D96 G97 | R77-D96 IonicContact CZ-OD1 3.59Å; R77-D96 IonicContact NE-OD1 3.66Å; R77-D96 PolarHBondContact NE-OD1 3.14Å; R77-D96 IonicContact NH2-OD1 3.63Å; R77-D96 PolarHBondContact NH2-OD1 2.96Å; R77-D96 IonicContact NH2-OD2 2.74Å; R77-D96 PolarHBondContact NH2-OD2 3.4Å; R77-G97 CarbonylContact O-C 3.58Å; R77-G97 WeakPolarHBondContact O-CA 3.38Å |
| 78 | D | 95.3 | Very high | 96.6 | Very high | 27 Ų | 27 | 65.8 Ų | 65.8 | 14% | 0.144 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -103.5 | 133.4 | -175.1 | -45.7 | -39.8 | 0 | 0 | 0 | 110.8 | W29 R94 G97 | W29-D78 HydrophobicContact CH2-CB 4.34Å; W29-D78 HydrophobicContact CZ3-CB 4.03Å; D78-R94 HydrophobicContact CB-CG 4.07Å; D78-R94 IonicContact OD2-CZ 3.16Å; D78-R94 IonicContact OD2-NE 2.61Å; D78-R94 IonicContact OD2-NH1 3.49Å; D78-R94 PolarHBondContact OD2-NH1 2.97Å; D78-G97 WeakPolarHBondContact CA-O 3.3Å; D78-G97 PolarHBondContact OD1-N 2.99Å |
| 79 | Y | 97.6 | Very high | 96.5 | Very high | 39 Ų | 39 | 63.2 Ų | 63.2 | 15% | 0.153 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.7 | 159.7 | -176 | 64.4 | -75 | 0 | 0 | 0 | 111.9 | P39 Y72 R81 G97 G98 Q99 | P39-Y79 CarbonylContact O-C 3.58Å; P39-Y79 WeakPolarHBondContact O-CA 3.46Å; P39-Y79 WeakPolarHBondContact O-CB 3.49Å; Y72-Y79 AromaticContact CD2-CD1 3.71Å; Y72-Y79 HydrophobicContact CD2-CD1 3.71Å; Y72-Y79 AromaticContact CD2-CD2 3.53Å; Y72-Y79 HydrophobicContact CD2-CD2 3.53Å; Y72-Y79 HydrophobicContact CD2-CE1 4.19Å; Y72-Y79 AromaticContact CD2-CE2 3.97Å; Y72-Y79 HydrophobicContact CD2-CE2 3.97Å; Y72-Y79 AromaticContact CD2-CG 3.38Å; Y72-Y79 HydrophobicContact CD2-CG 3.38Å; Y72-Y79 AromaticContact CE2-CD1 3.44Å; Y72-Y79 HydrophobicContact CE2-CD1 3.44Å; Y72-Y79 VanDerWaalsContact CE2-CD1 3.44Å; Y72-Y79 AromaticContact CE2-CD2 3.95Å; Y72-Y79 HydrophobicContact CE2-CD2 3.95Å; Y72-Y79 AromaticContact CE2-CE1 3.59Å; Y72-Y79 HydrophobicContact CE2-CE1 3.59Å; Y72-Y79 HydrophobicContact CE2-CE2 4.03Å; Y72-Y79 AromaticContact CE2-CG 3.65Å; Y72-Y79 HydrophobicContact CE2-CG 3.65Å; Y72-Y79 AromaticContact CE2-CZ 3.88Å; Y72-Y79 AromaticContact CG-CD2 3.93Å; Y72-Y79 HydrophobicContact CG-CD2 3.93Å; Y72-Y79 HydrophobicContact CG-CE2 4.21Å; Y72-Y79 HydrophobicContact CG-CG 4.23Å; Y79-R81 HydrophobicContact CD2-CG 3.75Å; Y79-R81 VanDerWaalsContact CE2-CD 3.49Å; Y79-R81 HydrophobicContact CE2-CG 3.34Å; Y79-G97 PolarHBondContact N-O 3.42Å; Y79-G98 VanDerWaalsContact CE1-CA 3.42Å; Y79-Q99 PolarHBondContact O-N 3.18Å |
| 80 | I | 98.6 | Very high | 96.3 | Very high | 1 Ų | 1 | 62.6 Ų | 62.6 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 134 | 174.7 | -63.6 | 177.3 | 0 | 0 | 0 | 109.9 | W29 V38 P39 Y40 Y41 F82 Q99 I101 A121 | W29-I80 HydrophobicContact CH2-CG1 4.08Å; W29-I80 HydrophobicContact CZ2-CD1 4.07Å; W29-I80 HydrophobicContact CZ2-CG1 3.71Å; V38-I80 HydrophobicContact CG1-CD1 3.55Å; V38-I80 HydrophobicContact CG1-CG1 4.06Å; P39-I80 PolarHBondContact O-N 3.27Å; Y40-I80 CarbonylContact C-O 3.6Å; Y40-I80 WeakPolarHBondContact CA-O 3.47Å; Y41-I80 PolarHBondContact N-O 2.71Å; I80-F82 HydrophobicContact CB-CE2 4.48Å; I80-F82 HydrophobicContact CG2-CD2 4.11Å; I80-F82 HydrophobicContact CG2-CE1 4.24Å; I80-F82 HydrophobicContact CG2-CE2 3.67Å; I80-F82 HydrophobicContact CG2-CZ 3.72Å; I80-Q99 CarbonylContact C-O 3.58Å; I80-Q99 WeakPolarHBondContact CA-O 3.4Å; I80-Q99 HydrophobicContact CG1-CG 4.19Å; I80-I101 HydrophobicContact CD1-CD1 4.21Å; I80-I101 HydrophobicContact CG2-CB 4.31Å; I80-I101 HydrophobicContact CG2-CD1 3.7Å; I80-I101 HydrophobicContact CG2-CG1 3.8Å; I80-A121 HydrophobicContact CD1-CB 3.77Å |
| 81 | R | 98.2 | Very high | 96.1 | Very high | 86 Ų | 86 | 61.1 Ų | 61.1 | 33% | 0.325 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 115.6 | 168.8 | -53.6 | -164.9 | -25.8 | 175.4 | 3.2 | 110 | Y41 Y79 E83 Q99 F100 I101 | Y41-R81 CarbonylContact O-C 3.29Å; Y41-R81 WeakPolarHBondContact O-CA 3.49Å; Y79-R81 HydrophobicContact CD2-CG 3.75Å; Y79-R81 VanDerWaalsContact CE2-CD 3.49Å; Y79-R81 HydrophobicContact CE2-CG 3.34Å; R81-E83 HydrophobicContact CB-CG 4.21Å; R81-E83 IonicContact CZ-OE1 3.77Å; R81-E83 IonicContact NE-OE1 2.71Å; R81-E83 PolarHBondContact NE-OE1 2.94Å; R81-E83 IonicContact NH2-OE1 3.15Å; R81-E83 PolarHBondContact NH2-OE1 3Å; R81-E83 IonicContact NH2-OE2 3.44Å; R81-E83 PolarHBondContact NH2-OE2 2.66Å; R81-E83 VanDerWaalsContact NH2-OE2 3.16Å; R81-Q99 PolarHBondContact N-O 3Å; R81-F100 HydrophobicContact CB-CB 4.36Å; R81-F100 CarbonylContact O-C 3.55Å; R81-F100 WeakPolarHBondContact O-CA 3.38Å; R81-F100 WeakPolarHBondContact O-CB 3.23Å; R81-I101 PolarHBondContact O-N 3.19Å |
| 82 | F | 98.7 | Very high | 95.8 | Very high | 1 Ų | 1 | 57.7 Ų | 57.7 | 0% | 0.004 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 121.6 | 170.7 | -65.1 | -83.1 | 0 | 0 | 0 | 109.3 | Y40 Y41 I42 S43 Y46 I54 L58 I80 I101 L103 V118 | Y40-F82 HydrophobicContact CD2-CD2 4.47Å; Y40-F82 HydrophobicContact CD2-CE2 4.4Å; Y40-F82 HydrophobicContact CG-CE2 4.47Å; Y41-F82 PolarHBondContact O-N 2.76Å; I42-F82 HydrophobicContact CG1-CB 4.31Å; I42-F82 HydrophobicContact CG1-CD2 3.92Å; I42-F82 HydrophobicContact CG1-CG 4.43Å; I42-F82 HydrophobicContact CG2-CB 4.33Å; S43-F82 VanDerWaalsContact CB-O 3.26Å; S43-F82 WeakPolarHBondContact CB-O 3.29Å; S43-F82 PolarHBondContact N-O 3.03Å; Y46-F82 HydrophobicContact CE2-CB 4.32Å; Y46-F82 WeakPolarHBondContact CE2-O 3.36Å; I54-F82 HydrophobicContact CD1-CB 4.41Å; I54-F82 HydrophobicContact CG2-CD1 4.07Å; I54-F82 HydrophobicContact CG2-CD2 4.15Å; I54-F82 HydrophobicContact CG2-CE1 4.3Å; I54-F82 HydrophobicContact CG2-CE2 4.39Å; I54-F82 HydrophobicContact CG2-CG 3.99Å; I54-F82 HydrophobicContact CG2-CZ 4.48Å; L58-F82 HydrophobicContact CD1-CE2 4.11Å; L58-F82 HydrophobicContact CD1-CZ 4.45Å; L58-F82 HydrophobicContact CD2-CE2 4.24Å; L58-F82 HydrophobicContact CD2-CZ 3.77Å; I80-F82 HydrophobicContact CB-CE2 4.48Å; I80-F82 HydrophobicContact CG2-CD2 4.11Å; I80-F82 HydrophobicContact CG2-CE1 4.24Å; I80-F82 HydrophobicContact CG2-CE2 3.67Å; I80-F82 HydrophobicContact CG2-CZ 3.72Å; F82-I101 WeakPolarHBondContact CA-O 3.22Å; F82-I101 HydrophobicContact CD1-CB 3.93Å; F82-I101 HydrophobicContact CD1-CG2 4.05Å; F82-I101 HydrophobicContact CE1-CB 3.96Å; F82-I101 HydrophobicContact CE1-CD1 3.73Å; F82-I101 HydrophobicContact CE1-CG1 4.38Å; F82-I101 HydrophobicContact CE1-CG2 4.04Å; F82-I101 HydrophobicContact CZ-CD1 4.06Å; F82-L103 HydrophobicContact CD1-CD1 3.63Å; F82-L103 HydrophobicContact CD1-CG 4.33Å; F82-L103 HydrophobicContact CE1-CD1 4.22Å; F82-V118 HydrophobicContact CE1-CG2 4.19Å; F82-V118 HydrophobicContact CZ-CG2 4.12Å |
| 83 | E | 98.2 | Very high | 95.5 | Very high | 22 Ų | 22 | 54.1 Ų | 54.1 | 10% | 0.103 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 140.8 | -176.2 | -57.1 | -162.1 | 136.3 | 0 | 0 | 112.3 | Y46 R81 K85 F100 I101 S102 L103 | Y46-E83 PolarHBondContact OH-O 3.45Å; Y46-E83 VanDerWaalsContact OH-O 3.07Å; R81-E83 HydrophobicContact CB-CG 4.21Å; R81-E83 IonicContact CZ-OE1 3.77Å; R81-E83 IonicContact NE-OE1 2.71Å; R81-E83 PolarHBondContact NE-OE1 2.94Å; R81-E83 IonicContact NH2-OE1 3.15Å; R81-E83 PolarHBondContact NH2-OE1 3Å; R81-E83 IonicContact NH2-OE2 3.44Å; R81-E83 PolarHBondContact NH2-OE2 2.66Å; R81-E83 VanDerWaalsContact NH2-OE2 3.16Å; E83-K85 HydrophobicContact CB-CG 4.21Å; E83-K85 PolarHBondContact O-N 2.85Å; E83-K85 WeakPolarHBondContact OE2-CE 3.29Å; E83-K85 IonicContact OE2-NZ 3.81Å; E83-K85 PolarHBondContact OE2-NZ 2.87Å; E83-F100 HydrophobicContact CG-CB 4.43Å; E83-I101 PolarHBondContact N-O 2.96Å; E83-S102 CarbonylContact O-C 3.6Å; E83-S102 VanDerWaalsContact O-CA 3.25Å; E83-S102 WeakPolarHBondContact O-CA 3.45Å; E83-L103 PolarHBondContact O-N 3.33Å |
| 84 | P | 97.4 | Very high | 95.4 | Very high | 42 Ų | 42 | 55.1 Ų | 55.1 | 27% | 0.273 | 26% | 0.262 | S | S | . | . | trans | -84.8 | 58.6 | -179.3 | 35.2 | -35.1 | 0 | 0 | 0 | 111.1 | Y46 L103 K105 | Y46-P84 HydrophobicContact CE1-CB 4.03Å; Y46-P84 HydrophobicContact CE2-CB 4.43Å; Y46-P84 HydrophobicContact CE2-CG 4.36Å; Y46-P84 VanDerWaalsContact OH-CA 3.29Å; Y46-P84 WeakPolarHBondContact OH-CA 3.39Å; P84-L103 WeakPolarHBondContact CA-O 3.44Å; P84-K105 HydrophobicContact CB-CD 3.82Å; P84-K105 HydrophobicContact CB-CG 3.87Å; P84-K105 HydrophobicContact CG-CD 4.49Å | ||
| 85 | K | 95.8 | Very high | 95.2 | Very high | 95 Ų | 95 | 50 Ų | 50 | 41% | 0.413 | 23% | 0.233 | S | C | . | . | trans | -79.7 | 180 | 173 | -65 | 176 | -173 | -78.4 | 0 | 110.2 | E83 G87 F100 S102 E104 | E83-K85 HydrophobicContact CB-CG 4.21Å; E83-K85 PolarHBondContact O-N 2.85Å; E83-K85 WeakPolarHBondContact OE2-CE 3.29Å; E83-K85 IonicContact OE2-NZ 3.81Å; E83-K85 PolarHBondContact OE2-NZ 2.87Å; K85-G87 PolarHBondContact O-N 3.4Å; K85-F100 HydrophobicContact CD-CD2 3.8Å; K85-F100 HydrophobicContact CD-CE2 3.59Å; K85-F100 HydrophobicContact CD-CG 4.4Å; K85-F100 HydrophobicContact CD-CZ 4.06Å; K85-S102 WeakPolarHBondContact CA-OG 3.18Å; K85-S102 VanDerWaalsContact CB-OG 3.29Å; K85-S102 WeakPolarHBondContact CB-OG 3.43Å; K85-S102 PolarHBondContact N-OG 3.35Å; K85-S102 PolarHBondContact O-OG 3.49Å; K85-E104 WeakPolarHBondContact O-CA 3.32Å; K85-E104 WeakPolarHBondContact O-CB 3.46Å; K85-E104 WeakPolarHBondContact O-CG 3.14Å | ||
| 86 | N | 93.7 | Very high | 94.8 | Very high | 141 Ų | 141 | 47.9 Ų | 47.9 | 75% | 0.754 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -68.4 | 127.2 | 177.7 | -64.8 | -16.3 | 0 | 0 | 0 | 110.9 | E104 | N86-E104 WeakPolarHBondContact CA-OE2 3.44Š|
| 87 | G | 94.9 | Very high | 94.6 | Very high | 21 Ų | 21 | 45.9 Ų | 45.9 | 22% | 0.216 | 23% | 0.226 | C | C | . | . | S | Bend | trans | 82 | 172.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | K85 S102 E104 C108 | K85-G87 PolarHBondContact O-N 3.4Å; G87-S102 WeakPolarHBondContact O-CB 3.25Å; G87-S102 PolarHBondContact O-OG 3.4Å; G87-E104 PolarHBondContact N-OE2 2.72Å; G87-E104 PolarHBondContact O-N 3.39Å; G87-C108 VanDerWaalsContact C-SG 3.57Å |
| 88 | C | 97.4 | Very high | 94.3 | Very high | 35 Ų | 35 | 39.7 Ų | 39.7 | 24% | 0.236 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 115.1 | 165.8 | -33.3 | 0 | 0 | 0 | 0 | 105 | D8 S102 C108 T113 E117 | D8-C88 VanDerWaalsContact CB-O 3.25Å; D8-C88 WeakPolarHBondContact CB-O 3.46Å; C88-S102 WeakPolarHBondContact CA-O 3.37Å; C88-C108 WeakPolarHBondContact CA-SG 3.38Å; C88-C108 HydrophobicContact CB-CB 3.89Å; C88-C108 WeakPolarHBondContact CB-SG 3.28Å; C88-C108 PolarHBondContact N-SG 2.98Å; C88-C108 WeakPolarHBondContact SG-CB 3.32Å; C88-C108 CovalentContact SG-SG 2.04Å; C88-C108 PolarHBondContact SG-SG 2.02Å; C88-T113 HydrophobicContact CB-CG2 3.62Å; C88-E117 HydrophobicContact CB-CG 4.33Å; C88-E117 VanDerWaalsContact CB-OE1 3.31Å; C88-E117 WeakPolarHBondContact CB-OE1 3.46Å |
| 89 | L | 96.1 | Very high | 94.3 | Very high | 13 Ų | 13 | 38.9 Ų | 38.9 | 7% | 0.068 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 151.8 | -176.3 | 64.5 | 78.2 | 0 | 0 | 0 | 112.4 | I4 D8 L10 F100 I101 S102 E117 | I4-L89 HydrophobicContact CD1-CD2 3.96Å; D8-L89 HydrophobicContact CB-CB 4.43Å; D8-L89 CarbonylContact O-C 3.57Å; D8-L89 WeakPolarHBondContact O-CA 3.09Å; D8-L89 WeakPolarHBondContact O-CB 3.43Å; L10-L89 HydrophobicContact CB-CD1 4.2Å; L10-L89 HydrophobicContact CD2-CD1 4.39Å; L89-F100 HydrophobicContact CD1-CD2 4.18Å; L89-F100 HydrophobicContact CD1-CE2 3.27Å; L89-F100 HydrophobicContact CD1-CZ 3.75Å; L89-F100 HydrophobicContact CG-CE2 4.43Å; L89-I101 WeakPolarHBondContact O-CA 3.11Å; L89-S102 PolarHBondContact N-O 2.61Å; L89-S102 PolarHBondContact O-N 2.8Å; L89-E117 VanDerWaalsContact CA-OE2 3.26Å; L89-E117 WeakPolarHBondContact CA-OE2 3.41Å; L89-E117 PolarHBondContact N-OE2 2.61Å |
| 90 | S | 95.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | B | Isolated β-bridge | trans | -151.8 | 154.6 | -176.6 | -175.8 | 0 | 0 | 0 | 0 | 110.6 | D8 I9 L10 E117 A121 | D8-S90 PolarHBondContact O-N 3.46Å; I9-S90 CarbonylContact C-O 3.57Å; I9-S90 WeakPolarHBondContact CA-O 3.46Å; L10-S90 PolarHBondContact N-O 3.27Å; S90-E117 VanDerWaalsContact CB-O 3.27Å; S90-E117 WeakPolarHBondContact CB-O 3.49Å; S90-E117 VanDerWaalsContact CB-OE2 3.3Å; S90-E117 WeakPolarHBondContact CB-OE2 3.17Å; S90-E117 PolarHBondContact N-OE2 3.45Å; S90-E117 PolarHBondContact OG-O 3.33Å; S90-A121 PolarHBondContact OG-N 3.1Å |
| 91 | S | 93.3 | Very high | 94.2 | Very high | 4 Ų | 4 | 39.4 Ų | 39.4 | 3% | 0.028 | 22% | 0.215 | C | C | . | . | trans | -83.2 | 149 | 168.7 | -56.7 | 0 | 0 | 0 | 0 | 109.9 | L10 G93 H120 A121 | L10-S91 PolarHBondContact O-OG 3.44Å; S91-G93 PolarHBondContact O-N 3.32Å; S91-H120 CarbonylContact O-C 3.56Å; S91-H120 VanDerWaalsContact O-C 3.31Å; S91-A121 WeakPolarHBondContact O-CA 3.32Å; S91-A121 PolarHBondContact O-N 2.93Å | ||
| 92 | V | 91.5 | Very high | 94.2 | Very high | 23 Ų | 23 | 35.3 Ų | 35.3 | 14% | 0.139 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -79 | 117.2 | 175 | 176.9 | 0 | 0 | 0 | 0 | 110.6 | I9 Q95 H120 | I9-V92 HydrophobicContact CD1-CG2 3.87Å; I9-V92 HydrophobicContact CG1-CG2 4.06Å; I9-V92 HydrophobicContact CG2-CG2 3.71Å; V92-Q95 PolarHBondContact O-NE2 3.03Å; V92-H120 CarbonylContact C-O 3.56Å; V92-H120 VanDerWaalsContact CA-O 3.25Å; V92-H120 WeakPolarHBondContact CA-O 3.24Å |
| 93 | G | 91.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | S | Bend | trans | 79.3 | 179.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | S91 Q95 Q99 H120 A121 | S91-G93 PolarHBondContact O-N 3.32Å; G93-Q95 PolarHBondContact O-N 2.91Å; G93-Q95 PolarHBondContact O-NE2 3.37Å; G93-Q99 PolarHBondContact O-NE2 2.82Å; G93-Q99 PolarHBondContact O-OE1 3.16Å; G93-H120 PolarHBondContact N-O 3.39Å; G93-A121 CarbonylContact C-O 3.49Å; G93-A121 VanDerWaalsContact CA-O 3.23Å; G93-A121 WeakPolarHBondContact CA-O 3.25Å |
| 94 | R | 93.4 | Very high | 94.2 | Very high | 63 Ų | 63 | 36 Ų | 36 | 24% | 0.238 | 20% | 0.203 | C | C | . | . | P | Polyproline II helix | trans | -66.8 | 123.9 | 173.6 | -176.8 | 179.2 | 61.1 | 82.4 | 11.2 | 110 | G26 C27 L28 W29 D78 | G26-R94 PolarHBondContact O-NH2 3.24Å; C27-R94 WeakPolarHBondContact O-CA 3.48Å; C27-R94 VanDerWaalsContact O-CB 3.23Å; C27-R94 WeakPolarHBondContact O-CB 3.44Å; C27-R94 PolarHBondContact O-N 3.44Å; L28-R94 PolarHBondContact O-NE 3.01Å; W29-R94 HydrophobicContact CD2-CB 3.91Å; W29-R94 HydrophobicContact CD2-CG 4Å; W29-R94 HydrophobicContact CE3-CB 4.45Å; W29-R94 HydrophobicContact CE3-CG 4.02Å; W29-R94 HydrophobicContact CG-CB 4.15Å; W29-R94 HydrophobicContact CH2-CG 4.06Å; W29-R94 HydrophobicContact CZ2-CB 4.14Å; W29-R94 HydrophobicContact CZ2-CG 4.05Å; W29-R94 HydrophobicContact CZ3-CG 4.04Å; D78-R94 HydrophobicContact CB-CG 4.07Å; D78-R94 IonicContact OD2-CZ 3.16Å; D78-R94 IonicContact OD2-NE 2.61Å; D78-R94 IonicContact OD2-NH1 3.49Å; D78-R94 PolarHBondContact OD2-NH1 2.97Å |
| 95 | Q | 89.9 | Confident | 94.1 | Very high | 44 Ų | 44 | 36.6 Ų | 36.6 | 21% | 0.206 | 20% | 0.201 | C | C | . | . | P | Polyproline II helix | trans | -93.6 | 167.9 | 171.1 | -48.9 | -54.4 | -58.3 | 0 | 0 | 110.6 | V92 G93 G97 Q99 | V92-Q95 PolarHBondContact O-NE2 3.03Å; G93-Q95 PolarHBondContact O-N 2.91Å; G93-Q95 PolarHBondContact O-NE2 3.37Å; Q95-G97 PolarHBondContact O-N 3.05Å; Q95-Q99 HydrophobicContact CB-CB 4.03Å; Q95-Q99 HydrophobicContact CG-CB 3.91Å |
| 96 | D | 85.9 | Confident | 94.1 | Very high | 116 Ų | 116 | 37.2 Ų | 37.2 | 62% | 0.62 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -74.8 | 121.1 | 173.8 | -171.2 | 12.6 | 0 | 0 | 0 | 110.5 | R77 | R77-D96 IonicContact CZ-OD1 3.59Å; R77-D96 IonicContact NE-OD1 3.66Å; R77-D96 PolarHBondContact NE-OD1 3.14Å; R77-D96 IonicContact NH2-OD1 3.63Å; R77-D96 PolarHBondContact NH2-OD1 2.96Å; R77-D96 IonicContact NH2-OD2 2.74Å; R77-D96 PolarHBondContact NH2-OD2 3.4Å |
| 97 | G | 88.9 | Confident | 94.1 | Very high | 17 Ų | 17 | 38.1 Ų | 38.1 | 18% | 0.175 | 21% | 0.208 | C | C | . | . | S | Bend | trans | 79.9 | -152.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | R77 D78 Y79 Q95 Q99 | R77-G97 CarbonylContact O-C 3.58Å; R77-G97 WeakPolarHBondContact O-CA 3.38Å; D78-G97 WeakPolarHBondContact CA-O 3.3Å; D78-G97 PolarHBondContact OD1-N 2.99Å; Y79-G97 PolarHBondContact N-O 3.42Å; Q95-G97 PolarHBondContact O-N 3.05Å; G97-Q99 PolarHBondContact O-N 2.88Å |
| 98 | G | 88.5 | Confident | 94.2 | Very high | 44 Ų | 44 | 37.1 Ų | 37.1 | 45% | 0.454 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 123.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y79 | Y79-G98 VanDerWaalsContact CE1-CA 3.42Å |
| 99 | Q | 95.1 | Very high | 94.3 | Very high | 9 Ų | 9 | 36.7 Ų | 36.7 | 4% | 0.042 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 145.1 | 169.3 | 73.2 | -170 | 80.8 | 0 | 0 | 110.2 | Y79 I80 R81 G93 Q95 G97 | Y79-Q99 PolarHBondContact O-N 3.18Å; I80-Q99 CarbonylContact C-O 3.58Å; I80-Q99 WeakPolarHBondContact CA-O 3.4Å; I80-Q99 HydrophobicContact CG1-CG 4.19Å; R81-Q99 PolarHBondContact N-O 3Å; G93-Q99 PolarHBondContact O-NE2 2.82Å; G93-Q99 PolarHBondContact O-OE1 3.16Å; Q95-Q99 HydrophobicContact CB-CB 4.03Å; Q95-Q99 HydrophobicContact CG-CB 3.91Å; G97-Q99 PolarHBondContact O-N 2.88Å |
| 100 | F | 96.4 | Very high | 94.3 | Very high | 51 Ų | 51 | 38.1 Ų | 38.1 | 22% | 0.224 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 147.3 | 174.5 | 74.4 | -87.2 | 0 | 0 | 0 | 111.8 | L10 R81 E83 K85 L89 | L10-F100 HydrophobicContact CD2-CD1 4.38Å; L10-F100 HydrophobicContact CD2-CE1 3.46Å; L10-F100 VanDerWaalsContact CD2-CE1 3.46Å; L10-F100 HydrophobicContact CD2-CE2 4.41Å; L10-F100 HydrophobicContact CD2-CZ 3.48Å; L10-F100 VanDerWaalsContact CD2-CZ 3.48Å; R81-F100 HydrophobicContact CB-CB 4.36Å; R81-F100 CarbonylContact O-C 3.55Å; R81-F100 WeakPolarHBondContact O-CA 3.38Å; R81-F100 WeakPolarHBondContact O-CB 3.23Å; E83-F100 HydrophobicContact CG-CB 4.43Å; K85-F100 HydrophobicContact CD-CD2 3.8Å; K85-F100 HydrophobicContact CD-CE2 3.59Å; K85-F100 HydrophobicContact CD-CG 4.4Å; K85-F100 HydrophobicContact CD-CZ 4.06Å; L89-F100 HydrophobicContact CD1-CD2 4.18Å; L89-F100 HydrophobicContact CD1-CE2 3.27Å; L89-F100 HydrophobicContact CD1-CZ 3.75Å; L89-F100 HydrophobicContact CG-CE2 4.43Å |
| 101 | I | 98.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 122.3 | 157.1 | -67.7 | 179.6 | 0 | 0 | 0 | 106.2 | I80 R81 F82 E83 L89 L103 E117 V118 A121 | I80-I101 HydrophobicContact CD1-CD1 4.21Å; I80-I101 HydrophobicContact CG2-CB 4.31Å; I80-I101 HydrophobicContact CG2-CD1 3.7Å; I80-I101 HydrophobicContact CG2-CG1 3.8Å; R81-I101 PolarHBondContact O-N 3.19Å; F82-I101 WeakPolarHBondContact CA-O 3.22Å; F82-I101 HydrophobicContact CD1-CB 3.93Å; F82-I101 HydrophobicContact CD1-CG2 4.05Å; F82-I101 HydrophobicContact CE1-CB 3.96Å; F82-I101 HydrophobicContact CE1-CD1 3.73Å; F82-I101 HydrophobicContact CE1-CG1 4.38Å; F82-I101 HydrophobicContact CE1-CG2 4.04Å; F82-I101 HydrophobicContact CZ-CD1 4.06Å; E83-I101 PolarHBondContact N-O 2.96Å; L89-I101 WeakPolarHBondContact O-CA 3.11Å; I101-L103 HydrophobicContact CG2-CD2 4.1Å; I101-L103 HydrophobicContact CG2-CG 4.04Å; I101-E117 HydrophobicContact CG2-CB 3.53Å; I101-E117 HydrophobicContact CG2-CG 4.1Å; I101-V118 HydrophobicContact CD1-CG2 4.05Å; I101-A121 HydrophobicContact CD1-CB 3.85Å; I101-A121 HydrophobicContact CG1-CB 4.43Å |
| 102 | S | 98.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 124.9 | 172.8 | -170.5 | 0 | 0 | 0 | 0 | 109.6 | E83 K85 G87 C88 L89 | E83-S102 CarbonylContact O-C 3.6Å; E83-S102 VanDerWaalsContact O-CA 3.25Å; E83-S102 WeakPolarHBondContact O-CA 3.45Å; K85-S102 WeakPolarHBondContact CA-OG 3.18Å; K85-S102 VanDerWaalsContact CB-OG 3.29Å; K85-S102 WeakPolarHBondContact CB-OG 3.43Å; K85-S102 PolarHBondContact N-OG 3.35Å; K85-S102 PolarHBondContact O-OG 3.49Å; G87-S102 WeakPolarHBondContact O-CB 3.25Å; G87-S102 PolarHBondContact O-OG 3.4Å; C88-S102 WeakPolarHBondContact CA-O 3.37Å; L89-S102 PolarHBondContact N-O 2.61Å; L89-S102 PolarHBondContact O-N 2.8Å |
| 103 | L | 98.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 85.2 | 166.4 | -58.1 | 170.3 | 0 | 0 | 0 | 108.3 | Y46 I54 F82 E83 P84 I101 K105 C108 L109 T113 I114 E117 | Y46-L103 WeakPolarHBondContact OH-CB 3.47Å; Y46-L103 PolarHBondContact OH-O 3.27Å; I54-L103 HydrophobicContact CD1-CD1 4.11Å; I54-L103 HydrophobicContact CG1-CD1 3.88Å; F82-L103 HydrophobicContact CD1-CD1 3.63Å; F82-L103 HydrophobicContact CD1-CG 4.33Å; F82-L103 HydrophobicContact CE1-CD1 4.22Å; E83-L103 PolarHBondContact O-N 3.33Å; P84-L103 WeakPolarHBondContact CA-O 3.44Å; I101-L103 HydrophobicContact CG2-CD2 4.1Å; I101-L103 HydrophobicContact CG2-CG 4.04Å; L103-K105 PolarHBondContact O-N 3.45Å; L103-C108 HydrophobicContact CB-CB 3.96Å; L103-C108 HydrophobicContact CD2-CB 4.07Å; L103-L109 HydrophobicContact CB-CD2 4.3Å; L103-T113 HydrophobicContact CD2-CG2 4.19Å; L103-I114 HydrophobicContact CD1-CG1 3.81Å; L103-I114 HydrophobicContact CD2-CG1 4.25Å; L103-E117 HydrophobicContact CD2-CB 4.47Å; L103-E117 HydrophobicContact CD2-CG 3.98Å |
| 104 | E | 98.1 | Very high | 95.3 | Very high | 37 Ų | 37 | 45.6 Ų | 45.6 | 17% | 0.173 | 24% | 0.236 | C | C | . | . | trans | -54.2 | 138.1 | 175.8 | -165.1 | -176.5 | 124.5 | 0 | 0 | 111.5 | K85 N86 G87 P106 R107 C108 | K85-E104 WeakPolarHBondContact O-CA 3.32Å; K85-E104 WeakPolarHBondContact O-CB 3.46Å; K85-E104 WeakPolarHBondContact O-CG 3.14Å; N86-E104 WeakPolarHBondContact CA-OE2 3.44Å; G87-E104 PolarHBondContact N-OE2 2.72Å; G87-E104 PolarHBondContact O-N 3.39Å; E104-P106 CarbonylContact O-C 3.48Å; E104-R107 PolarHBondContact O-N 3.23Å; E104-R107 IonicContact OE1-CZ 2.66Å; E104-R107 IonicContact OE1-NE 3.35Å; E104-R107 PolarHBondContact OE1-NE 3.3Å; E104-R107 IonicContact OE1-NH2 2.87Å; E104-R107 PolarHBondContact OE1-NH2 3.04Å; E104-R107 IonicContact OE2-CZ 3.7Å; E104-R107 IonicContact OE2-NE 2.64Å; E104-R107 IonicContact OE2-NH2 3.15Å; E104-R107 PolarHBondContact OE2-NH2 2.64Å; E104-C108 PolarHBondContact N-SG 2.77Å; E104-C108 VanDerWaalsContact N-SG 3.37Å; E104-C108 VanDerWaalsContact O-CB 3.29Å; E104-C108 WeakPolarHBondContact O-CB 3.19Å; E104-C108 PolarHBondContact O-N 3.31Å | ||
| 105 | K | 95.4 | Very high | 95.5 | Very high | 56 Ų | 56 | 43 Ų | 43 | 24% | 0.243 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | 143.3 | 179.1 | -59.3 | 167.2 | 169.5 | -156.2 | 0 | 111.7 | S45 Y46 E50 P84 L103 R107 L109 | S45-K105 PolarHBondContact O-NZ 2.85Å; Y46-K105 HydrophobicContact CD1-CD 4.22Å; Y46-K105 HydrophobicContact CD1-CG 4.24Å; Y46-K105 HydrophobicContact CE1-CD 4.15Å; Y46-K105 HydrophobicContact CE1-CG 3.79Å; E50-K105 WeakPolarHBondContact OE1-CD 3.5Å; E50-K105 IonicContact OE1-NZ 3.33Å; E50-K105 PolarHBondContact OE1-NZ 2.74Å; E50-K105 WeakPolarHBondContact OE2-CE 3.14Å; E50-K105 IonicContact OE2-NZ 3.4Å; E50-K105 PolarHBondContact OE2-NZ 2.84Å; P84-K105 HydrophobicContact CB-CD 3.82Å; P84-K105 HydrophobicContact CB-CG 3.87Å; P84-K105 HydrophobicContact CG-CD 4.49Å; L103-K105 PolarHBondContact O-N 3.45Å; K105-R107 VanDerWaalsContact C-N 3.28Å; K105-L109 HydrophobicContact CG-CD1 4Å |
| 106 | P | 94.3 | Very high | 95.9 | Very high | 107 Ų | 107 | 41.4 Ų | 41.4 | 70% | 0.695 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -81.1 | -6 | -11.4 | 32.9 | -34.9 | 0 | 0 | 0 | 112.8 | E104 C108 L109 | E104-P106 CarbonylContact O-C 3.48Å; P106-C108 VanDerWaalsContact C-N 3.34Å; P106-C108 PolarHBondContact O-N 3.07Å; P106-L109 PolarHBondContact O-N 2.99Å; P106-L109 VanDerWaalsContact O-N 3.16Å |
| 107 | R | 94.8 | Very high | 96.5 | Very high | 160 Ų | 160 | 36.1 Ų | 36.1 | 60% | 0.604 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -31.6 | -160.1 | -57.5 | -168.9 | -61.1 | 126.4 | -7.1 | 115.2 | E104 K105 | E104-R107 PolarHBondContact O-N 3.23Å; E104-R107 IonicContact OE1-CZ 2.66Å; E104-R107 IonicContact OE1-NE 3.35Å; E104-R107 PolarHBondContact OE1-NE 3.3Å; E104-R107 IonicContact OE1-NH2 2.87Å; E104-R107 PolarHBondContact OE1-NH2 3.04Å; E104-R107 IonicContact OE2-CZ 3.7Å; E104-R107 IonicContact OE2-NE 2.64Å; E104-R107 IonicContact OE2-NH2 3.15Å; E104-R107 PolarHBondContact OE2-NH2 2.64Å; K105-R107 VanDerWaalsContact C-N 3.28Å |
| 108 | C | 97.8 | Very high | 97 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | -0.8 | -176.6 | -54.8 | 0 | 0 | 0 | 0 | 113.3 | G87 C88 L103 E104 P106 S110 T113 | G87-C108 VanDerWaalsContact C-SG 3.57Å; C88-C108 WeakPolarHBondContact CA-SG 3.38Å; C88-C108 HydrophobicContact CB-CB 3.89Å; C88-C108 WeakPolarHBondContact CB-SG 3.28Å; C88-C108 PolarHBondContact N-SG 2.98Å; C88-C108 WeakPolarHBondContact SG-CB 3.32Å; C88-C108 CovalentContact SG-SG 2.04Å; C88-C108 PolarHBondContact SG-SG 2.02Å; L103-C108 HydrophobicContact CB-CB 3.96Å; L103-C108 HydrophobicContact CD2-CB 4.07Å; E104-C108 PolarHBondContact N-SG 2.77Å; E104-C108 VanDerWaalsContact N-SG 3.37Å; E104-C108 VanDerWaalsContact O-CB 3.29Å; E104-C108 WeakPolarHBondContact O-CB 3.19Å; E104-C108 PolarHBondContact O-N 3.31Å; P106-C108 VanDerWaalsContact C-N 3.34Å; P106-C108 PolarHBondContact O-N 3.07Å; C108-S110 VanDerWaalsContact C-N 3.27Å; C108-S110 PolarHBondContact O-N 3.47Å; C108-T113 HydrophobicContact CB-CG2 3.81Å; C108-T113 WeakPolarHBondContact O-CB 3.22Å; C108-T113 WeakPolarHBondContact O-CG2 3.42Å |
| 109 | L | 97.8 | Very high | 97.5 | Very high | 26 Ų | 26 | 33.3 Ų | 33.3 | 14% | 0.136 | 16% | 0.161 | C | C | . | . | trans | -86.2 | 67.6 | -178.8 | -66.2 | -177.4 | 0 | 0 | 0 | 111.5 | Y46 E50 I54 L103 K105 P106 | Y46-L109 HydrophobicContact CD1-CD2 4.37Å; Y46-L109 HydrophobicContact CE1-CD1 4.49Å; Y46-L109 HydrophobicContact CE1-CD2 3.92Å; E50-L109 HydrophobicContact CB-CD1 3.65Å; E50-L109 HydrophobicContact CG-CD1 3.44Å; E50-L109 VanDerWaalsContact CG-CD1 3.44Å; I54-L109 HydrophobicContact CD1-CD2 4.14Å; I54-L109 HydrophobicContact CG1-CD2 3.96Å; L103-L109 HydrophobicContact CB-CD2 4.3Å; K105-L109 HydrophobicContact CG-CD1 4Å; P106-L109 PolarHBondContact O-N 2.99Å; P106-L109 VanDerWaalsContact O-N 3.16Å | ||
| 110 | S | 97.6 | Very high | 97.6 | Very high | 44 Ų | 44 | 32.9 Ų | 32.9 | 31% | 0.308 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -134.1 | 150.6 | 171.5 | 75.2 | 0 | 0 | 0 | 0 | 110.2 | C108 R112 T113 I114 | C108-S110 VanDerWaalsContact C-N 3.27Å; C108-S110 PolarHBondContact O-N 3.47Å; S110-R112 PolarHBondContact O-N 3.35Å; S110-T113 PolarHBondContact O-N 2.74Å; S110-T113 VanDerWaalsContact O-N 3.16Å; S110-T113 WeakPolarHBondContact OG-CB 3.18Å; S110-T113 PolarHBondContact OG-N 2.72Å; S110-T113 VanDerWaalsContact OG-N 3.13Å; S110-T113 PolarHBondContact OG-OG1 3.24Å; S110-T113 VanDerWaalsContact OG-OG1 3.06Å; S110-I114 WeakPolarHBondContact O-CD1 3.17Å; S110-I114 WeakPolarHBondContact O-CG1 3.46Å; S110-I114 PolarHBondContact O-N 2.67Å |
| 111 | L | 97.6 | Very high | 97.6 | Very high | 74 Ų | 74 | 30.4 Ų | 30.4 | 39% | 0.387 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -50.1 | -44.2 | 175 | 176 | 61.5 | 0 | 0 | 0 | 111 | I114 Q115 K200 | L111-I114 PolarHBondContact O-N 2.88Å; L111-Q115 HydrophobicContact CD1-CG 4.07Å; L111-Q115 WeakPolarHBondContact O-CB 3.38Å; L111-Q115 WeakPolarHBondContact O-CG 3.23Å; L111-Q115 PolarHBondContact O-N 2.87Å; L111-K200 HydrophobicContact CD2-CB 4.4Å |
| 112 | R | 97.4 | Very high | 97.5 | Very high | 95 Ų | 95 | 30.5 Ų | 30.5 | 36% | 0.358 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -56.6 | -56.4 | 179.2 | -178 | -165.7 | 172.4 | -89.6 | -7 | 111.6 | S110 I114 Q115 H116 I169 A198 T199 | S110-R112 PolarHBondContact O-N 3.35Å; R112-I114 PolarHBondContact O-N 2.68Å; R112-Q115 PolarHBondContact O-N 2.76Å; R112-H116 WeakPolarHBondContact O-CB 3.48Å; R112-H116 PolarHBondContact O-N 3.16Å; R112-I169 HydrophobicContact CB-CD1 4.24Å; R112-I169 HydrophobicContact CG-CD1 3.71Å; R112-I169 HydrophobicContact CG-CG1 3.84Å; R112-I169 WeakPolarHBondContact O-CD1 3.26Å; R112-A198 WeakPolarHBondContact CD-O 3.24Å; R112-A198 WeakPolarHBondContact CG-O 3.47Å; R112-A198 PolarHBondContact NE-O 3Å; R112-T199 WeakPolarHBondContact CB-O 3.25Å |
| 113 | T | 98.1 | Very high | 97.2 | Very high | 15 Ų | 15 | 30.7 Ų | 30.7 | 9% | 0.092 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.8 | -42.7 | -176.5 | -58.6 | 0 | 0 | 0 | 0 | 111.5 | C88 L103 C108 S110 Q115 H116 E117 | C88-T113 HydrophobicContact CB-CG2 3.62Å; L103-T113 HydrophobicContact CD2-CG2 4.19Å; C108-T113 HydrophobicContact CB-CG2 3.81Å; C108-T113 WeakPolarHBondContact O-CB 3.22Å; C108-T113 WeakPolarHBondContact O-CG2 3.42Å; S110-T113 PolarHBondContact O-N 2.74Å; S110-T113 VanDerWaalsContact O-N 3.16Å; S110-T113 WeakPolarHBondContact OG-CB 3.18Å; S110-T113 PolarHBondContact OG-N 2.72Å; S110-T113 VanDerWaalsContact OG-N 3.13Å; S110-T113 PolarHBondContact OG-OG1 3.24Å; S110-T113 VanDerWaalsContact OG-OG1 3.06Å; T113-Q115 VanDerWaalsContact C-N 3.33Å; T113-Q115 PolarHBondContact O-N 2.99Å; T113-H116 WeakPolarHBondContact O-CB 3.49Å; T113-H116 PolarHBondContact O-N 3.1Å; T113-E117 HydrophobicContact CG2-CG 4.24Å; T113-E117 WeakPolarHBondContact O-CG 3.36Å; T113-E117 PolarHBondContact O-N 3.29Å |
| 114 | I | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.1 | -44.4 | 179.2 | -66.4 | 155.2 | 0 | 0 | 0 | 110.8 | I53 I54 L103 S110 L111 R112 H116 V118 | I53-I114 HydrophobicContact CG2-CD1 3.75Å; I53-I114 WeakPolarHBondContact O-CD1 3.17Å; I54-I114 HydrophobicContact CG1-CD1 4.31Å; L103-I114 HydrophobicContact CD1-CG1 3.81Å; L103-I114 HydrophobicContact CD2-CG1 4.25Å; S110-I114 WeakPolarHBondContact O-CD1 3.17Å; S110-I114 WeakPolarHBondContact O-CG1 3.46Å; S110-I114 PolarHBondContact O-N 2.67Å; L111-I114 PolarHBondContact O-N 2.88Å; R112-I114 PolarHBondContact O-N 2.68Å; I114-H116 VanDerWaalsContact C-N 3.35Å; I114-H116 PolarHBondContact O-N 3.17Å; I114-V118 HydrophobicContact CG2-CG2 4.29Å; I114-V118 VanDerWaalsContact O-CB 3.31Å; I114-V118 WeakPolarHBondContact O-CB 3.13Å; I114-V118 WeakPolarHBondContact O-CG2 3.38Å; I114-V118 PolarHBondContact O-N 2.84Å |
| 115 | Q | 98.7 | Very high | 96.6 | Very high | 7 Ų | 7 | 32.1 Ų | 32.1 | 3% | 0.033 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.6 | -42.7 | 175.7 | -75.8 | 179 | -24.6 | 0 | 0 | 112.3 | S60 F61 L111 R112 T113 V118 L119 I169 M201 | S60-Q115 PolarHBondContact OG-NE2 3.05Å; F61-Q115 HydrophobicContact CE2-CB 4.24Å; F61-Q115 HydrophobicContact CE2-CG 3.89Å; F61-Q115 HydrophobicContact CZ-CB 4.2Å; F61-Q115 HydrophobicContact CZ-CG 4.25Å; L111-Q115 HydrophobicContact CD1-CG 4.07Å; L111-Q115 WeakPolarHBondContact O-CB 3.38Å; L111-Q115 WeakPolarHBondContact O-CG 3.23Å; L111-Q115 PolarHBondContact O-N 2.87Å; R112-Q115 PolarHBondContact O-N 2.76Å; T113-Q115 VanDerWaalsContact C-N 3.33Å; T113-Q115 PolarHBondContact O-N 2.99Å; Q115-V118 PolarHBondContact O-N 2.84Å; Q115-L119 WeakPolarHBondContact O-CB 3.35Å; Q115-L119 WeakPolarHBondContact O-CG 3.33Å; Q115-L119 PolarHBondContact O-N 3Å; Q115-I169 HydrophobicContact CB-CD1 3.81Å; Q115-M201 HydrophobicContact CB-CG 4.02Å; Q115-M201 HydrophobicContact CG-CE 4.44Å; Q115-M201 HydrophobicContact CG-CG 4.21Å |
| 116 | H | 98.5 | Very high | 96.6 | Very high | 12 Ų | 12 | 29.5 Ų | 29.5 | 6% | 0.056 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.3 | -52.3 | 177.5 | -175 | 97.8 | 0 | 0 | 0 | 112.1 | D8 R112 T113 I114 V118 L119 H120 H126 I169 M170 | D8-H116 IonicContact OD2-NE2 3Å; D8-H116 PolarHBondContact OD2-NE2 2.58Å; R112-H116 WeakPolarHBondContact O-CB 3.48Å; R112-H116 PolarHBondContact O-N 3.16Å; T113-H116 WeakPolarHBondContact O-CB 3.49Å; T113-H116 PolarHBondContact O-N 3.1Å; I114-H116 VanDerWaalsContact C-N 3.35Å; I114-H116 PolarHBondContact O-N 3.17Å; H116-V118 VanDerWaalsContact C-N 3.32Å; H116-V118 PolarHBondContact O-N 2.88Å; H116-L119 WeakPolarHBondContact O-CB 3.33Å; H116-L119 PolarHBondContact O-N 3.1Å; H116-H120 AromaticContact CD2-CD2 3.76Å; H116-H120 AromaticContact CD2-NE2 3.66Å; H116-H120 AromaticContact NE2-CD2 3.77Å; H116-H120 AromaticContact NE2-NE2 3.16Å; H116-H120 PolarHBondContact NE2-NE2 3.14Å; H116-H120 VanDerWaalsContact NE2-NE2 3.16Å; H116-H120 PolarHBondContact O-N 3.42Å; H116-H120 VanDerWaalsContact O-N 3.1Å; H116-H126 AromaticContact CE1-CD2 3.74Å; H116-H126 AromaticContact CE1-NE2 3.65Å; H116-H126 AromaticContact NE2-NE2 3.49Å; H116-H126 PolarHBondContact NE2-NE2 2.52Å; H116-I169 HydrophobicContact CB-CG1 4.42Å; H116-I169 PolarHBondContact ND1-O 3.24Å; H116-M170 HydrophobicContact CB-SD 4.39Å; H116-M170 PolarHBondContact ND1-SD 3.13Å |
| 117 | E | 98.6 | Very high | 96.7 | Very high | 4 Ų | 4 | 24.6 Ų | 24.6 | 2% | 0.019 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -67.8 | -32.3 | -178.7 | -60.1 | -49.8 | 150.5 | 0 | 0 | 113.2 | C88 L89 S90 I101 L103 T113 H120 A121 | C88-E117 HydrophobicContact CB-CG 4.33Å; C88-E117 VanDerWaalsContact CB-OE1 3.31Å; C88-E117 WeakPolarHBondContact CB-OE1 3.46Å; L89-E117 VanDerWaalsContact CA-OE2 3.26Å; L89-E117 WeakPolarHBondContact CA-OE2 3.41Å; L89-E117 PolarHBondContact N-OE2 2.61Å; S90-E117 VanDerWaalsContact CB-O 3.27Å; S90-E117 WeakPolarHBondContact CB-O 3.49Å; S90-E117 VanDerWaalsContact CB-OE2 3.3Å; S90-E117 WeakPolarHBondContact CB-OE2 3.17Å; S90-E117 PolarHBondContact N-OE2 3.45Å; S90-E117 PolarHBondContact OG-O 3.33Å; I101-E117 HydrophobicContact CG2-CB 3.53Å; I101-E117 HydrophobicContact CG2-CG 4.1Å; L103-E117 HydrophobicContact CD2-CB 4.47Å; L103-E117 HydrophobicContact CD2-CG 3.98Å; T113-E117 HydrophobicContact CG2-CG 4.24Å; T113-E117 WeakPolarHBondContact O-CG 3.36Å; T113-E117 PolarHBondContact O-N 3.29Å; E117-H120 WeakPolarHBondContact O-CB 3.45Å; E117-H120 PolarHBondContact O-N 3.49Å; E117-H120 IonicContact OE2-CD2 3.11Å; E117-A121 PolarHBondContact O-N 3.39Å; E117-A121 VanDerWaalsContact O-N 3.1Å |
| 118 | V | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -70.6 | -37.6 | 174.4 | 171.4 | 0 | 0 | 0 | 0 | 110.8 | L58 F61 F69 F82 I101 I114 Q115 H116 H120 A121 L122 | L58-V118 HydrophobicContact CD2-CG2 3.92Å; F61-V118 HydrophobicContact CD2-CG1 4.04Å; F61-V118 HydrophobicContact CE1-CG1 4.06Å; F61-V118 HydrophobicContact CE2-CB 3.79Å; F61-V118 HydrophobicContact CE2-CG1 3.51Å; F61-V118 HydrophobicContact CZ-CB 3.8Å; F61-V118 HydrophobicContact CZ-CG1 3.53Å; F69-V118 HydrophobicContact CE1-CG1 4.28Å; F69-V118 HydrophobicContact CZ-CG1 3.65Å; F82-V118 HydrophobicContact CE1-CG2 4.19Å; F82-V118 HydrophobicContact CZ-CG2 4.12Å; I101-V118 HydrophobicContact CD1-CG2 4.05Å; I114-V118 HydrophobicContact CG2-CG2 4.29Å; I114-V118 VanDerWaalsContact O-CB 3.31Å; I114-V118 WeakPolarHBondContact O-CB 3.13Å; I114-V118 WeakPolarHBondContact O-CG2 3.38Å; I114-V118 PolarHBondContact O-N 2.84Å; Q115-V118 PolarHBondContact O-N 2.84Å; H116-V118 VanDerWaalsContact C-N 3.32Å; H116-V118 PolarHBondContact O-N 2.88Å; V118-H120 VanDerWaalsContact C-N 3.31Å; V118-H120 PolarHBondContact O-N 3.47Å; V118-A121 CarbonylContact O-C 3.47Å; V118-A121 PolarHBondContact O-N 3.45Å; V118-A121 VanDerWaalsContact O-N 3.14Å; V118-L122 HydrophobicContact CG1-CD1 4.11Å; V118-L122 HydrophobicContact CG1-CG 4.32Å; V118-L122 WeakPolarHBondContact O-CB 3.49Å; V118-L122 VanDerWaalsContact O-CG 3.3Å; V118-L122 WeakPolarHBondContact O-CG 3.35Å; V118-L122 PolarHBondContact O-N 3.1Å |
| 119 | L | 98.2 | Very high | 96.5 | Very high | 2 Ų | 2 | 17.1 Ų | 17.1 | 1% | 0.01 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -60.7 | -40.6 | 172.4 | -80.4 | 170.3 | 0 | 0 | 0 | 111.6 | F61 Q115 H116 L122 G123 F124 I169 M170 M201 D205 V209 | F61-L119 HydrophobicContact CE1-CD2 3.93Å; F61-L119 HydrophobicContact CE1-CG 4.01Å; F61-L119 HydrophobicContact CZ-CG 4.11Å; Q115-L119 WeakPolarHBondContact O-CB 3.35Å; Q115-L119 WeakPolarHBondContact O-CG 3.33Å; Q115-L119 PolarHBondContact O-N 3Å; H116-L119 WeakPolarHBondContact O-CB 3.33Å; H116-L119 PolarHBondContact O-N 3.1Å; L119-L122 CarbonylContact O-C 3.46Å; L119-L122 PolarHBondContact O-N 3.47Å; L119-G123 PolarHBondContact O-N 2.9Å; L119-G123 VanDerWaalsContact O-N 3.16Å; L119-F124 HydrophobicContact CB-CB 4.29Å; L119-F124 HydrophobicContact CB-CD2 4.34Å; L119-F124 HydrophobicContact CD2-CD2 3.65Å; L119-F124 HydrophobicContact CD2-CE2 4.08Å; L119-F124 HydrophobicContact CD2-CG 4.28Å; L119-F124 WeakPolarHBondContact O-CB 3.14Å; L119-F124 WeakPolarHBondContact O-CD2 3.3Å; L119-F124 PolarHBondContact O-N 3.02Å; L119-I169 HydrophobicContact CD1-CG2 3.42Å; L119-I169 VanDerWaalsContact CD1-CG2 3.42Å; L119-M170 HydrophobicContact CB-CE 4.25Å; L119-M170 HydrophobicContact CB-CG 4.47Å; L119-M170 HydrophobicContact CB-SD 3.61Å; L119-M170 HydrophobicContact CD1-CG 3.88Å; L119-M170 HydrophobicContact CD1-SD 3.58Å; L119-M170 VanDerWaalsContact CD1-SD 3.58Å; L119-M170 HydrophobicContact CG-SD 4.25Å; L119-M201 HydrophobicContact CD1-CG 4.01Å; L119-M201 HydrophobicContact CD1-SD 4Å; L119-M201 HydrophobicContact CD2-SD 4.17Å; L119-M201 HydrophobicContact CG-SD 4.19Å; L119-D205 HydrophobicContact CD1-CB 4.33Å; L119-V209 HydrophobicContact CD2-CG2 3.45Å; L119-V209 VanDerWaalsContact CD2-CG2 3.45Å |
| 120 | H | 97.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -55.4 | -53.2 | 169.2 | -76.7 | -42.2 | 0 | 0 | 0 | 111.4 | D8 S91 V92 G93 H116 E117 V118 L122 G123 F124 H126 M170 | D8-H120 IonicContact OD1-NE2 3.53Å; D8-H120 PolarHBondContact OD1-NE2 2.95Å; S91-H120 CarbonylContact O-C 3.56Å; S91-H120 VanDerWaalsContact O-C 3.31Å; V92-H120 CarbonylContact C-O 3.56Å; V92-H120 VanDerWaalsContact CA-O 3.25Å; V92-H120 WeakPolarHBondContact CA-O 3.24Å; G93-H120 PolarHBondContact N-O 3.39Å; H116-H120 AromaticContact CD2-CD2 3.76Å; H116-H120 AromaticContact CD2-NE2 3.66Å; H116-H120 AromaticContact NE2-CD2 3.77Å; H116-H120 AromaticContact NE2-NE2 3.16Å; H116-H120 PolarHBondContact NE2-NE2 3.14Å; H116-H120 VanDerWaalsContact NE2-NE2 3.16Å; H116-H120 PolarHBondContact O-N 3.42Å; H116-H120 VanDerWaalsContact O-N 3.1Å; E117-H120 WeakPolarHBondContact O-CB 3.45Å; E117-H120 PolarHBondContact O-N 3.49Å; E117-H120 IonicContact OE2-CD2 3.11Å; V118-H120 VanDerWaalsContact C-N 3.31Å; V118-H120 PolarHBondContact O-N 3.47Å; H120-L122 PolarHBondContact O-N 3.18Å; H120-L122 VanDerWaalsContact O-N 3.1Å; H120-G123 WeakPolarHBondContact O-CA 3.47Å; H120-G123 PolarHBondContact O-N 3.38Å; H120-F124 PolarHBondContact ND1-O 3.23Å; H120-H126 AromaticContact CE1-CE1 3.8Å; H120-H126 AromaticContact CE1-NE2 3.78Å; H120-H126 AromaticContact NE2-CE1 3.81Å; H120-H126 AromaticContact NE2-NE2 3.59Å; H120-M170 WeakPolarHBondContact CE1-CE 3.45Å; H120-M170 WeakPolarHBondContact ND1-CE 3.44Å |
| 121 | A | 96.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -61.3 | -24.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | W29 I80 S90 S91 G93 I101 E117 V118 | W29-A121 PolarHBondContact NE1-O 3.45Å; I80-A121 HydrophobicContact CD1-CB 3.77Å; S90-A121 PolarHBondContact OG-N 3.1Å; S91-A121 WeakPolarHBondContact O-CA 3.32Å; S91-A121 PolarHBondContact O-N 2.93Å; G93-A121 CarbonylContact C-O 3.49Å; G93-A121 VanDerWaalsContact CA-O 3.23Å; G93-A121 WeakPolarHBondContact CA-O 3.25Å; I101-A121 HydrophobicContact CD1-CB 3.85Å; I101-A121 HydrophobicContact CG1-CB 4.43Å; E117-A121 PolarHBondContact O-N 3.39Å; E117-A121 VanDerWaalsContact O-N 3.1Å; V118-A121 CarbonylContact O-C 3.47Å; V118-A121 PolarHBondContact O-N 3.45Å; V118-A121 VanDerWaalsContact O-N 3.14Å |
| 122 | L | 96.1 | Very high | 95.6 | Very high | 1 Ų | 1 | 14.5 Ų | 14.5 | 1% | 0.005 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -82.4 | -8.5 | 173.7 | -70.3 | 176.3 | 0 | 0 | 0 | 113.9 | V38 F61 I67 V118 L119 H120 F124 V209 Y213 | V38-L122 HydrophobicContact CG2-CD2 4.3Å; F61-L122 HydrophobicContact CD1-CD1 3.91Å; F61-L122 HydrophobicContact CE1-CD1 3.79Å; I67-L122 HydrophobicContact CD1-CD2 4Å; I67-L122 HydrophobicContact CG1-CD1 4.16Å; I67-L122 HydrophobicContact CG1-CD2 4.22Å; I67-L122 HydrophobicContact CG2-CD2 4.19Å; V118-L122 HydrophobicContact CG1-CD1 4.11Å; V118-L122 HydrophobicContact CG1-CG 4.32Å; V118-L122 WeakPolarHBondContact O-CB 3.49Å; V118-L122 VanDerWaalsContact O-CG 3.3Å; V118-L122 WeakPolarHBondContact O-CG 3.35Å; V118-L122 PolarHBondContact O-N 3.1Å; L119-L122 CarbonylContact O-C 3.46Å; L119-L122 PolarHBondContact O-N 3.47Å; H120-L122 PolarHBondContact O-N 3.18Å; H120-L122 VanDerWaalsContact O-N 3.1Å; L122-F124 HydrophobicContact CB-CD2 4.14Å; L122-F124 HydrophobicContact CB-CE2 4.16Å; L122-V209 HydrophobicContact CD1-CG1 4.34Å; L122-Y213 HydrophobicContact CB-CE2 4.19Å; L122-Y213 HydrophobicContact CD2-CE2 4.19Å; L122-Y213 WeakPolarHBondContact O-CE2 3.17Å; L122-Y213 PolarHBondContact O-OH 3.16Å |
| 123 | G | 92.5 | Very high | 95.6 | Very high | 5 Ų | 5 | 10.6 Ų | 10.6 | 5% | 0.052 | 6% | 0.059 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 111.6 | 13.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | L119 H120 | L119-G123 PolarHBondContact O-N 2.9Å; L119-G123 VanDerWaalsContact O-N 3.16Å; H120-G123 WeakPolarHBondContact O-CA 3.47Å; H120-G123 PolarHBondContact O-N 3.38Å |
| 124 | F | 92.5 | Very high | 95.5 | Very high | 25 Ų | 25 | 12.8 Ų | 12.8 | 11% | 0.11 | 7% | 0.07 | C | C | . | . | trans | -93.5 | 132.5 | -179.7 | -63.7 | -79.7 | 0 | 0 | 0 | 111.5 | L119 H120 L122 L160 R208 V209 L212 | L119-F124 HydrophobicContact CB-CB 4.29Å; L119-F124 HydrophobicContact CB-CD2 4.34Å; L119-F124 HydrophobicContact CD2-CD2 3.65Å; L119-F124 HydrophobicContact CD2-CE2 4.08Å; L119-F124 HydrophobicContact CD2-CG 4.28Å; L119-F124 WeakPolarHBondContact O-CB 3.14Å; L119-F124 WeakPolarHBondContact O-CD2 3.3Å; L119-F124 PolarHBondContact O-N 3.02Å; H120-F124 PolarHBondContact ND1-O 3.23Å; L122-F124 HydrophobicContact CB-CD2 4.14Å; L122-F124 HydrophobicContact CB-CE2 4.16Å; F124-L160 HydrophobicContact CE1-CD1 4.1Å; F124-R208 HydrophobicContact CD1-CB 4.48Å; F124-R208 HydrophobicContact CE1-CB 3.67Å; F124-R208 HydrophobicContact CZ-CB 4.14Å; F124-V209 HydrophobicContact CD2-CG2 4.44Å; F124-V209 HydrophobicContact CE2-CB 4.36Å; F124-V209 HydrophobicContact CE2-CG2 3.66Å; F124-V209 HydrophobicContact CZ-CB 4.43Å; F124-V209 HydrophobicContact CZ-CG2 4.03Å; F124-L212 HydrophobicContact CE1-CD2 3.93Å; F124-L212 HydrophobicContact CE2-CD2 3.79Å; F124-L212 HydrophobicContact CZ-CB 3.96Å; F124-L212 HydrophobicContact CZ-CD2 3.37Å; F124-L212 HydrophobicContact CZ-CG 4.29Å | ||
| 125 | N | 92.4 | Very high | 95.4 | Very high | 41 Ų | 41 | 19.6 Ų | 19.6 | 22% | 0.219 | 10% | 0.102 | C | C | . | . | trans | -88.8 | 174.4 | 166.4 | -70.2 | -82 | 0 | 0 | 0 | 109.3 | ||||
| 126 | H | 95.4 | Very high | 95.3 | Very high | 2 Ų | 2 | 21.9 Ų | 21.9 | 1% | 0.009 | 11% | 0.112 | C | C | . | . | trans | -62.5 | 150.7 | 173.2 | -66.1 | 111.7 | 0 | 0 | 0 | 114.2 | Q6 D8 H116 H120 S129 M170 Y172 | Q6-H126 WeakPolarHBondContact CB-ND1 3.26Å; Q6-H126 PolarHBondContact O-CE1 3.23Å; Q6-H126 PolarHBondContact OE1-ND1 2.94Å; D8-H126 IonicContact OD1-CE1 2.81Å; D8-H126 PolarHBondContact OD1-CE1 2.76Å; D8-H126 IonicContact OD1-NE2 2.99Å; D8-H126 PolarHBondContact OD1-NE2 2.99Å; D8-H126 IonicContact OD2-CE1 3.45Å; D8-H126 IonicContact OD2-NE2 2.78Å; D8-H126 PolarHBondContact OD2-NE2 3.31Å; H116-H126 AromaticContact CE1-CD2 3.74Å; H116-H126 AromaticContact CE1-NE2 3.65Å; H116-H126 AromaticContact NE2-NE2 3.49Å; H116-H126 PolarHBondContact NE2-NE2 2.52Å; H120-H126 AromaticContact CE1-CE1 3.8Å; H120-H126 AromaticContact CE1-NE2 3.78Å; H120-H126 AromaticContact NE2-CE1 3.81Å; H120-H126 AromaticContact NE2-NE2 3.59Å; H126-S129 WeakPolarHBondContact O-CB 3.47Å; H126-S129 PolarHBondContact O-N 2.88Å; H126-S129 VanDerWaalsContact O-N 3.13Å; H126-S129 PolarHBondContact O-OG 2.97Å; H126-M170 CarbonylContact C-O 3.46Å; H126-M170 VanDerWaalsContact CA-O 3.32Å; H126-M170 WeakPolarHBondContact CA-O 3.37Å; H126-M170 WeakPolarHBondContact CB-O 3.35Å; H126-M170 PolarHBondContact CD2-O 3.16Å; H126-Y172 AromaticContact CD2-CD1 3.91Å; H126-Y172 AromaticContact CD2-CE1 3.52Å; H126-Y172 AromaticContact CE1-CE1 3.63Å; H126-Y172 AromaticContact CE1-CZ 3.98Å; H126-Y172 AromaticContact CG-CE1 3.88Å; H126-Y172 AromaticContact ND1-CE1 3.95Å; H126-Y172 AromaticContact NE2-CE1 3.32Å; H126-Y172 VanDerWaalsContact NE2-CE1 3.32Å; H126-Y172 WeakPolarHBondContact NE2-CE1 3.39Å | ||
| 127 | E | 96.1 | Very high | 95.2 | Very high | 4 Ų | 4 | 21.3 Ų | 21.3 | 2% | 0.019 | 11% | 0.11 | C | C | . | . | G | 310 helix | trans | -67 | -43.8 | -179.1 | -175.1 | 71.9 | 173.2 | 0 | 0 | 111.9 | S129 R130 Y164 D165 M170 E171 R208 | E127-S129 PolarHBondContact O-N 2.84Å; E127-R130 WeakPolarHBondContact O-CB 3.46Å; E127-R130 VanDerWaalsContact O-CG 3.22Å; E127-R130 WeakPolarHBondContact O-CG 3.27Å; E127-R130 PolarHBondContact O-N 2.8Å; E127-R130 WeakPolarHBondContact OE1-CD 3.42Å; E127-R130 VanDerWaalsContact OE2-CD 3.3Å; E127-R130 WeakPolarHBondContact OE2-CD 3.29Å; E127-Y164 HydrophobicContact CG-CD1 4.46Å; E127-Y164 HydrophobicContact CG-CD2 4.34Å; E127-Y164 HydrophobicContact CG-CE1 4.15Å; E127-Y164 HydrophobicContact CG-CE2 4.03Å; E127-Y164 WeakPolarHBondContact O-CE2 3.31Å; E127-Y164 WeakPolarHBondContact OE1-CA 3.2Å; E127-D165 PolarHBondContact OE1-N 3.18Å; E127-M170 PolarHBondContact N-O 3.02Å; E127-E171 HydrophobicContact CB-CB 3.95Å; E127-E171 VanDerWaalsContact CB-OE2 3.22Å; E127-E171 WeakPolarHBondContact CB-OE2 3.42Å; E127-E171 HydrophobicContact CG-CB 4.39Å; E127-R208 VanDerWaalsContact CD-NH1 3.34Å; E127-R208 IonicContact OE1-CZ 3.46Å; E127-R208 IonicContact OE1-NH1 3.96Å; E127-R208 PolarHBondContact OE1-NH1 2.84Å; E127-R208 IonicContact OE1-NH2 3.44Å; E127-R208 PolarHBondContact OE1-NH2 3.07Å; E127-R208 IonicContact OE2-CZ 2.61Å; E127-R208 VanDerWaalsContact OE2-CZ 3.31Å; E127-R208 IonicContact OE2-NH1 2.67Å; E127-R208 PolarHBondContact OE2-NH1 3.01Å; E127-R208 IonicContact OE2-NH2 3.81Å; E127-R208 PolarHBondContact OE2-NH2 3.01Å |
| 128 | Q | 95.3 | Very high | 95.2 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | G | 310 helix | trans | -65.2 | -8 | 174.8 | 82.9 | -71.2 | -20.9 | 0 | 0 | 113.9 | R133 Y164 E171 Y172 I185 | Q128-R133 VanDerWaalsContact O-CD 3.24Å; Q128-R133 WeakPolarHBondContact O-CD 3.45Å; Q128-R133 VanDerWaalsContact O-CG 3.27Å; Q128-R133 WeakPolarHBondContact O-CG 3.25Å; Q128-R133 PolarHBondContact O-NH1 2.92Å; Q128-Y164 VanDerWaalsContact CA-OH 3.31Å; Q128-Y164 WeakPolarHBondContact CA-OH 3.15Å; Q128-E171 WeakPolarHBondContact CB-OE2 3.43Å; Q128-E171 PolarHBondContact N-OE2 3.46Å; Q128-Y172 VanDerWaalsContact CD-CD2 3.45Å; Q128-Y172 HydrophobicContact CG-CD2 3.92Å; Q128-Y172 HydrophobicContact CG-CG 4.12Å; Q128-Y172 VanDerWaalsContact NE2-CG 3.26Å; Q128-Y172 VanDerWaalsContact NE2-CZ 3.28Å; Q128-I185 HydrophobicContact CB-CD1 4.15Å; Q128-I185 HydrophobicContact CG-CD1 4.11Å |
| 129 | S | 92.8 | Very high | 95.1 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.007 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -92.9 | -4 | 176.4 | 82.1 | 0 | 0 | 0 | 0 | 113.6 | Q6 H126 E127 K154 V155 | Q6-S129 VanDerWaalsContact NE2-CB 3.27Å; H126-S129 WeakPolarHBondContact O-CB 3.47Å; H126-S129 PolarHBondContact O-N 2.88Å; H126-S129 VanDerWaalsContact O-N 3.13Å; H126-S129 PolarHBondContact O-OG 2.97Å; E127-S129 PolarHBondContact O-N 2.84Å; S129-K154 CarbonylContact O-C 3.31Å; S129-K154 WeakPolarHBondContact O-CA 3.32Å; S129-V155 PolarHBondContact O-N 2.86Å |
| 130 | R | 92.2 | Very high | 95.1 | Very high | 8 Ų | 8 | 27.9 Ų | 27.9 | 3% | 0.03 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -54.9 | 152.1 | 180 | -72.9 | 171.2 | 59.2 | 116.6 | -12.4 | 113.2 | E127 D132 R133 T157 N159 T162 | E127-R130 WeakPolarHBondContact O-CB 3.46Å; E127-R130 VanDerWaalsContact O-CG 3.22Å; E127-R130 WeakPolarHBondContact O-CG 3.27Å; E127-R130 PolarHBondContact O-N 2.8Å; E127-R130 WeakPolarHBondContact OE1-CD 3.42Å; E127-R130 VanDerWaalsContact OE2-CD 3.3Å; E127-R130 WeakPolarHBondContact OE2-CD 3.29Å; R130-D132 WeakPolarHBondContact CB-OD1 3.32Å; R130-D132 IonicContact CZ-OD1 3.54Å; R130-D132 IonicContact CZ-OD2 3.2Å; R130-D132 IonicContact NE-OD1 3.24Å; R130-D132 PolarHBondContact NE-OD1 3.49Å; R130-D132 IonicContact NE-OD2 3.31Å; R130-D132 IonicContact NH2-OD1 2.72Å; R130-D132 PolarHBondContact NH2-OD1 2.61Å; R130-D132 IonicContact NH2-OD2 2.85Å; R130-D132 PolarHBondContact NH2-OD2 3.34Å; R130-D132 PolarHBondContact O-N 2.78Å; R130-R133 HydrophobicContact CB-CB 4.33Å; R130-R133 WeakPolarHBondContact O-CB 2.81Å; R130-R133 WeakPolarHBondContact O-CG 3.47Å; R130-R133 PolarHBondContact O-N 3Å; R130-T157 WeakPolarHBondContact CA-OG1 3.33Å; R130-N159 VanDerWaalsContact NH2-CB 3.33Å; R130-N159 PolarHBondContact NH2-ND2 3.24Å; R130-T162 PolarHBondContact NH1-O 3.06Å; R130-T162 PolarHBondContact NH2-O 3.46Å |
| 131 | S | 90.1 | Very high | 95.1 | Very high | 52 Ų | 52 | 32.7 Ų | 32.7 | 36% | 0.364 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -31.8 | 178.4 | 55.5 | 0 | 0 | 0 | 0 | 113.5 | V155 T157 | S131-V155 PolarHBondContact N-O 3.22Å; S131-T157 PolarHBondContact N-OG1 3.31Å; S131-T157 PolarHBondContact OG-OG1 2.92Å |
| 132 | D | 92.6 | Very high | 95.1 | Very high | 30 Ų | 30 | 38.1 Ų | 38.1 | 16% | 0.16 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94 | 4.2 | 179.4 | 61.7 | -11.9 | 0 | 0 | 0 | 113.4 | R130 D134 E135 H136 N159 | R130-D132 WeakPolarHBondContact CB-OD1 3.32Å; R130-D132 IonicContact CZ-OD1 3.54Å; R130-D132 IonicContact CZ-OD2 3.2Å; R130-D132 IonicContact NE-OD1 3.24Å; R130-D132 PolarHBondContact NE-OD1 3.49Å; R130-D132 IonicContact NE-OD2 3.31Å; R130-D132 IonicContact NH2-OD1 2.72Å; R130-D132 PolarHBondContact NH2-OD1 2.61Å; R130-D132 IonicContact NH2-OD2 2.85Å; R130-D132 PolarHBondContact NH2-OD2 3.34Å; R130-D132 PolarHBondContact O-N 2.78Å; D132-D134 PolarHBondContact O-N 2.64Å; D132-E135 WeakPolarHBondContact O-CB 3.36Å; D132-E135 PolarHBondContact O-N 2.04Å; D132-H136 PolarHBondContact O-CD2 3.16Å; D132-N159 PolarHBondContact OD1-ND2 3.05Å; D132-N159 VanDerWaalsContact OD1-ND2 3.12Å; D132-N159 PolarHBondContact OD2-ND2 3.32Å |
| 133 | R | 96.1 | Very high | 95.2 | Very high | 13 Ų | 13 | 38.8 Ų | 38.8 | 5% | 0.049 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -57.5 | -30.1 | -173 | 71.8 | 101.6 | -172.7 | -86 | 7.5 | 113.9 | Q128 R130 E135 H136 V137 F152 K154 Y164 | Q128-R133 VanDerWaalsContact O-CD 3.24Å; Q128-R133 WeakPolarHBondContact O-CD 3.45Å; Q128-R133 VanDerWaalsContact O-CG 3.27Å; Q128-R133 WeakPolarHBondContact O-CG 3.25Å; Q128-R133 PolarHBondContact O-NH1 2.92Å; R130-R133 HydrophobicContact CB-CB 4.33Å; R130-R133 WeakPolarHBondContact O-CB 2.81Å; R130-R133 WeakPolarHBondContact O-CG 3.47Å; R130-R133 PolarHBondContact O-N 3Å; R133-E135 PolarHBondContact O-N 3.06Å; R133-H136 PolarHBondContact O-N 2.93Å; R133-V137 HydrophobicContact CB-CG2 4.21Å; R133-V137 VanDerWaalsContact O-CG2 3.31Å; R133-V137 WeakPolarHBondContact O-CG2 3.29Å; R133-V137 PolarHBondContact O-N 3.48Å; R133-F152 VanDerWaalsContact CZ-O 3.24Å; R133-F152 PolarHBondContact NH1-O 2.74Å; R133-F152 PolarHBondContact NH2-O 3.03Å; R133-K154 HydrophobicContact CG-CD 3.8Å; R133-K154 HydrophobicContact CG-CG 3.83Å; R133-Y164 HydrophobicContact CB-CD2 4.45Å; R133-Y164 HydrophobicContact CB-CE2 3.74Å |
| 134 | D | 96.3 | Very high | 95.5 | Very high | 60 Ų | 60 | 38.6 Ų | 38.6 | 32% | 0.321 | 19% | 0.189 | S | C | . | . | G | 310 helix | trans | -69.9 | -8.6 | 178.4 | -61.1 | -27.2 | 0 | 0 | 0 | 112.9 | D132 H136 K154 K188 | D132-D134 PolarHBondContact O-N 2.64Å; D134-H136 VanDerWaalsContact C-N 3.35Å; D134-K154 WeakPolarHBondContact OD2-CD 3.31Å; D134-K154 VanDerWaalsContact OD2-CE 3.24Å; D134-K154 WeakPolarHBondContact OD2-CE 3.39Å; D134-K154 IonicContact OD2-NZ 2.67Å; D134-K154 PolarHBondContact OD2-NZ 3.34Å; D134-K188 WeakPolarHBondContact O-CD 3.08Å; D134-K188 WeakPolarHBondContact O-CE 3.1Å; D134-K188 PolarHBondContact O-NZ 3.41Å |
| 135 | E | 96.8 | Very high | 95.7 | Very high | 144 Ų | 144 | 42.6 Ų | 42.6 | 67% | 0.673 | 21% | 0.206 | S | C | * | . | G | 310 helix | trans | -80.3 | -20.5 | 169.3 | -63.3 | 175.4 | -152 | 0 | 0 | 111.8 | D132 R133 | D132-E135 WeakPolarHBondContact O-CB 3.36Å; D132-E135 PolarHBondContact O-N 2.04Å; R133-E135 PolarHBondContact O-N 3.06Å |
| 136 | H | 96.5 | Very high | 96 | Very high | 54 Ų | 54 | 50.2 Ų | 50.2 | 25% | 0.25 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.8 | -36.5 | -170.8 | -55.3 | -69.7 | 0 | 0 | 0 | 113.1 | D132 R133 D134 Y164 F166 K188 | D132-H136 PolarHBondContact O-CD2 3.16Å; R133-H136 PolarHBondContact O-N 2.93Å; D134-H136 VanDerWaalsContact C-N 3.35Å; H136-Y164 HydrophobicContact CB-CD1 3.86Å; H136-Y164 HydrophobicContact CB-CD2 4.04Å; H136-Y164 HydrophobicContact CB-CE1 4.29Å; H136-Y164 HydrophobicContact CB-CE2 4.43Å; H136-Y164 HydrophobicContact CB-CG 3.73Å; H136-Y164 WeakPolarHBondContact CD2-CB 3.4Å; H136-Y164 AromaticContact CD2-CD2 3.55Å; H136-Y164 AromaticContact CD2-CG 3.53Å; H136-Y164 VanDerWaalsContact CG-CB 3.43Å; H136-Y164 AromaticContact CG-CD2 3.96Å; H136-Y164 AromaticContact CG-CG 3.58Å; H136-Y164 WeakPolarHBondContact NE2-CB 3.29Å; H136-F166 HydrophobicContact CB-CE2 4.47Å; H136-F166 HydrophobicContact CB-CZ 4.31Å; H136-K188 PolarHBondContact O-N 3.07Å |
| 137 | V | 97.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 157 | -177.3 | -60.2 | 0 | 0 | 0 | 0 | 112.2 | R133 I139 Y164 F166 I185 V186 K188 | R133-V137 HydrophobicContact CB-CG2 4.21Å; R133-V137 VanDerWaalsContact O-CG2 3.31Å; R133-V137 WeakPolarHBondContact O-CG2 3.29Å; R133-V137 PolarHBondContact O-N 3.48Å; V137-I139 HydrophobicContact CG2-CD1 4.19Å; V137-Y164 HydrophobicContact CG1-CE1 4.11Å; V137-F166 HydrophobicContact CG1-CD1 4.5Å; V137-F166 HydrophobicContact CG1-CE1 3.37Å; V137-F166 HydrophobicContact CG1-CZ 3.58Å; V137-I185 HydrophobicContact CB-CG2 3.74Å; V137-I185 HydrophobicContact CG1-CG2 3.89Å; V137-I185 HydrophobicContact CG2-CG2 4.13Å; V137-V186 CarbonylContact C-O 3.59Å; V137-V186 VanDerWaalsContact CA-O 3.24Å; V137-V186 WeakPolarHBondContact CA-O 3.48Å; V137-K188 WeakPolarHBondContact O-CE 3.48Å |
| 138 | E | 97.1 | Very high | 95.8 | Very high | 103 Ų | 103 | 57.1 Ų | 57.1 | 48% | 0.481 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 136.4 | 166.5 | 176 | 176.4 | -163.7 | 0 | 0 | 109.1 | L140 I185 V186 | E138-L140 HydrophobicContact CG-CD2 4.09Å; E138-I185 WeakPolarHBondContact O-CA 3.17Å; E138-V186 HydrophobicContact CB-CG2 3.8Å; E138-V186 HydrophobicContact CG-CG2 4.38Å; E138-V186 PolarHBondContact N-O 2.81Å; E138-V186 PolarHBondContact O-N 3.22Å |
| 139 | I | 97.8 | Very high | 95.7 | Very high | 15 Ų | 15 | 60.3 Ų | 60.3 | 8% | 0.077 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 115.5 | 177.9 | -52.9 | -53.1 | 0 | 0 | 0 | 108.6 | V137 F141 I144 F152 T184 I185 | V137-I139 HydrophobicContact CG2-CD1 4.19Å; I139-F141 HydrophobicContact CB-CD2 4.21Å; I139-F141 HydrophobicContact CB-CE2 3.8Å; I139-F141 HydrophobicContact CB-CZ 4.28Å; I139-F141 HydrophobicContact CG2-CD1 4.44Å; I139-F141 HydrophobicContact CG2-CD2 3.95Å; I139-F141 HydrophobicContact CG2-CE1 4.23Å; I139-F141 HydrophobicContact CG2-CE2 3.71Å; I139-F141 HydrophobicContact CG2-CG 4.31Å; I139-F141 HydrophobicContact CG2-CZ 3.86Å; I139-F141 WeakPolarHBondContact O-CD2 3.49Å; I139-F141 PolarHBondContact O-N 3.31Å; I139-I144 HydrophobicContact CG2-CD1 3.83Å; I139-F152 HydrophobicContact CD1-CD1 4.08Å; I139-F152 HydrophobicContact CG2-CB 3.96Å; I139-F152 HydrophobicContact CG2-CD1 3.82Å; I139-F152 HydrophobicContact CG2-CG 4Å; I139-T184 WeakPolarHBondContact CA-O 3.32Å; I139-I185 HydrophobicContact CD1-CB 4.48Å; I139-I185 HydrophobicContact CD1-CG1 4.01Å; I139-I185 HydrophobicContact CD1-CG2 4.09Å |
| 140 | L | 97.4 | Very high | 95.5 | Very high | 26 Ų | 26 | 64.9 Ų | 64.9 | 14% | 0.136 | 32% | 0.322 | C | S | . | . | trans | -87.1 | 81.5 | 179.7 | -57.7 | -178.5 | 0 | 0 | 0 | 109.6 | E138 E142 N143 P183 T184 V186 | E138-L140 HydrophobicContact CG-CD2 4.09Å; L140-E142 WeakPolarHBondContact CA-OE2 3.33Å; L140-E142 PolarHBondContact O-N 3.01Å; L140-N143 HydrophobicContact CB-CB 4.47Å; L140-N143 PolarHBondContact O-N 3.37Å; L140-P183 HydrophobicContact CD1-CG 4.37Å; L140-P183 WeakPolarHBondContact CD1-O 3.17Å; L140-T184 PolarHBondContact N-O 3.28Å; L140-V186 HydrophobicContact CD1-CG1 3.73Å; L140-V186 HydrophobicContact CD1-CG2 4.34Å; L140-V186 HydrophobicContact CD2-CG2 4.39Å; L140-V186 HydrophobicContact CG-CG1 4.45Å; L140-V186 HydrophobicContact CG-CG2 4.32Å | ||
| 141 | F | 96.9 | Very high | 95.4 | Very high | 101 Ų | 101 | 65.1 Ų | 65.1 | 44% | 0.443 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -59.1 | -31.6 | -174.8 | -76.9 | -86.7 | 0 | 0 | 0 | 113.4 | I139 N143 I144 E149 | I139-F141 HydrophobicContact CB-CD2 4.21Å; I139-F141 HydrophobicContact CB-CE2 3.8Å; I139-F141 HydrophobicContact CB-CZ 4.28Å; I139-F141 HydrophobicContact CG2-CD1 4.44Å; I139-F141 HydrophobicContact CG2-CD2 3.95Å; I139-F141 HydrophobicContact CG2-CE1 4.23Å; I139-F141 HydrophobicContact CG2-CE2 3.71Å; I139-F141 HydrophobicContact CG2-CG 4.31Å; I139-F141 HydrophobicContact CG2-CZ 3.86Å; I139-F141 WeakPolarHBondContact O-CD2 3.49Å; I139-F141 PolarHBondContact O-N 3.31Å; F141-N143 PolarHBondContact O-N 2.75Å; F141-I144 HydrophobicContact CB-CD1 4.43Å; F141-I144 HydrophobicContact CD1-CD1 3.7Å; F141-I144 HydrophobicContact CE1-CD1 4.2Å; F141-I144 HydrophobicContact CG-CD1 4.18Å; F141-I144 WeakPolarHBondContact O-CB 3.33Å; F141-I144 PolarHBondContact O-N 3.21Å; F141-E149 HydrophobicContact CD1-CB 4.25Å; F141-E149 HydrophobicContact CD1-CG 4.32Å; F141-E149 HydrophobicContact CE1-CB 4.32Å |
| 142 | E | 97.9 | Very high | 95.6 | Very high | 115 Ų | 115 | 62.7 Ų | 62.7 | 54% | 0.537 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -60.3 | -22.4 | 175 | 69.3 | -81.8 | -166.6 | 0 | 0 | 113.2 | L140 K179 | L140-E142 WeakPolarHBondContact CA-OE2 3.33Å; L140-E142 PolarHBondContact O-N 3.01Å; E142-K179 WeakPolarHBondContact O-CE 3.42Å; E142-K179 PolarHBondContact O-NZ 3.27Å |
| 143 | N | 98.1 | Very high | 95.5 | Very high | 15 Ų | 15 | 68.1 Ų | 68.1 | 8% | 0.08 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -94.2 | -8.6 | 177.6 | -65.8 | -29.4 | 0 | 0 | 0 | 113.2 | L140 F141 S178 K179 N180 L182 P183 T184 | L140-N143 HydrophobicContact CB-CB 4.47Å; L140-N143 PolarHBondContact O-N 3.37Å; F141-N143 PolarHBondContact O-N 2.75Å; N143-S178 CarbonylContact O-C 3.52Å; N143-S178 WeakPolarHBondContact O-CA 3.28Å; N143-K179 PolarHBondContact O-N 3.15Å; N143-N180 PolarHBondContact OD1-ND2 3.36Å; N143-L182 HydrophobicContact CB-CB 4.48Å; N143-P183 WeakPolarHBondContact CB-O 3.25Å; N143-P183 PolarHBondContact ND2-O 2.04Å; N143-T184 HydrophobicContact CB-CG2 4.02Å |
| 144 | I | 97.9 | Very high | 95.1 | Very high | 1 Ų | 1 | 72 Ų | 72 | 1% | 0.005 | 34% | 0.343 | C | S | . | . | B | Isolated β-bridge | trans | -79.4 | 139.6 | -176.8 | -59 | 173.1 | 0 | 0 | 0 | 110.7 | I139 F141 K146 K148 E149 F152 F177 K179 T184 | I139-I144 HydrophobicContact CG2-CD1 3.83Å; F141-I144 HydrophobicContact CB-CD1 4.43Å; F141-I144 HydrophobicContact CD1-CD1 3.7Å; F141-I144 HydrophobicContact CE1-CD1 4.2Å; F141-I144 HydrophobicContact CG-CD1 4.18Å; F141-I144 WeakPolarHBondContact O-CB 3.33Å; F141-I144 PolarHBondContact O-N 3.21Å; I144-K146 PolarHBondContact O-N 3.32Å; I144-K148 HydrophobicContact CG2-CB 3.99Å; I144-E149 HydrophobicContact CG2-CG 4.34Å; I144-F152 HydrophobicContact CD1-CD1 4.39Å; I144-F152 HydrophobicContact CD1-CD2 3.49Å; I144-F152 VanDerWaalsContact CD1-CD2 3.49Å; I144-F152 HydrophobicContact CD1-CE1 4.49Å; I144-F152 HydrophobicContact CD1-CE2 3.62Å; I144-F152 HydrophobicContact CD1-CG 3.89Å; I144-F152 HydrophobicContact CD1-CZ 4.12Å; I144-F152 HydrophobicContact CG1-CD2 4.31Å; I144-F152 HydrophobicContact CG1-CE2 3.92Å; I144-F152 HydrophobicContact CG1-CZ 4.23Å; I144-F152 HydrophobicContact CG2-CD2 4.36Å; I144-F152 HydrophobicContact CG2-CE2 3.92Å; I144-F177 HydrophobicContact CG2-CB 4.46Å; I144-K179 WeakPolarHBondContact O-CD 3.3Å; I144-T184 HydrophobicContact CG1-CG2 3.73Å |
| 145 | K | 97.7 | Very high | 94.5 | Very high | 108 Ų | 108 | 69.9 Ų | 69.9 | 47% | 0.47 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -55.9 | 131.2 | 169.9 | -73.9 | 175.1 | -171.2 | -173.4 | 0 | 110.6 | G147 K148 F177 S178 K179 | K145-G147 PolarHBondContact O-N 2.86Å; K145-K148 HydrophobicContact CB-CB 4.26Å; K145-K148 HydrophobicContact CB-CG 3.88Å; K145-K148 VanDerWaalsContact O-CB 3.31Å; K145-K148 WeakPolarHBondContact O-CB 3.42Å; K145-K148 PolarHBondContact O-N 3.47Å; K145-F177 VanDerWaalsContact CG-O 3.29Å; K145-F177 WeakPolarHBondContact CG-O 3.36Å; K145-F177 PolarHBondContact N-O 2.89Å; K145-S178 WeakPolarHBondContact CE-O 3.08Å; K145-K179 HydrophobicContact CB-CB 4.45Å; K145-K179 HydrophobicContact CG-CB 3.8Å |
| 146 | K | 96.8 | Very high | 93.6 | Very high | 201 Ų | 201 | 71.3 Ų | 71.3 | 87% | 0.874 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.2 | 127.6 | 176.5 | -174.2 | 176 | -179.6 | 178.6 | 0 | 110.8 | I144 E149 | I144-K146 PolarHBondContact O-N 3.32Å; K146-E149 WeakPolarHBondContact CA-OE1 3.42Å |
| 147 | G | 93.7 | Very high | 92.6 | Very high | 55 Ų | 55 | 70.3 Ų | 70.3 | 57% | 0.567 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84 | 5.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115 | K145 E149 | K145-G147 PolarHBondContact O-N 2.86Å; G147-E149 WeakPolarHBondContact CA-OE2 3.5Å; G147-E149 PolarHBondContact N-OE1 3.41Å; G147-E149 PolarHBondContact N-OE2 2.85Å |
| 148 | K | 93.6 | Very high | 91.8 | Very high | 96 Ų | 96 | 75.1 Ų | 75.1 | 42% | 0.417 | 36% | 0.359 | S | S | . | . | trans | -110.4 | 2.7 | 176 | -57.9 | -61.6 | 179 | -175.6 | 0 | 113.5 | I144 K145 N150 N151 F177 | I144-K148 HydrophobicContact CG2-CB 3.99Å; K145-K148 HydrophobicContact CB-CB 4.26Å; K145-K148 HydrophobicContact CB-CG 3.88Å; K145-K148 VanDerWaalsContact O-CB 3.31Å; K145-K148 WeakPolarHBondContact O-CB 3.42Å; K145-K148 PolarHBondContact O-N 3.47Å; K148-N150 PolarHBondContact O-N 2.8Å; K148-N151 VanDerWaalsContact O-CB 3.29Å; K148-N151 WeakPolarHBondContact O-CB 3.26Å; K148-N151 PolarHBondContact O-N 3.44Å; K148-F177 HydrophobicContact CB-CB 4.05Å; K148-F177 HydrophobicContact CB-CD1 4.1Å; K148-F177 HydrophobicContact CB-CG 4.2Å; K148-F177 HydrophobicContact CD-CD1 4.16Å; K148-F177 HydrophobicContact CD-CE1 4.48Å; K148-F177 HydrophobicContact CG-CD1 4.06Å | ||
| 149 | E | 93.1 | Very high | 91.1 | Very high | 68 Ų | 68 | 71.7 Ų | 71.7 | 32% | 0.318 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -59.1 | -33.9 | 179.9 | -56.3 | 82.4 | 177.3 | 0 | 0 | 111.4 | F141 I144 K146 G147 N151 F152 | F141-E149 HydrophobicContact CD1-CB 4.25Å; F141-E149 HydrophobicContact CD1-CG 4.32Å; F141-E149 HydrophobicContact CE1-CB 4.32Å; I144-E149 HydrophobicContact CG2-CG 4.34Å; K146-E149 WeakPolarHBondContact CA-OE1 3.42Å; G147-E149 WeakPolarHBondContact CA-OE2 3.5Å; G147-E149 PolarHBondContact N-OE1 3.41Å; G147-E149 PolarHBondContact N-OE2 2.85Å; E149-N151 PolarHBondContact O-N 3.48Å; E149-N151 VanDerWaalsContact O-N 3.15Å; E149-F152 PolarHBondContact O-N 3.25Å |
| 150 | N | 89.4 | Confident | 90.4 | Very high | 97 Ų | 97 | 72.3 Ų | 72.3 | 52% | 0.519 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | -61.6 | -22.1 | 177.1 | -76.3 | -33.2 | 0 | 0 | 0 | 113.9 | K148 F152 R153 | K148-N150 PolarHBondContact O-N 2.8Å; N150-F152 PolarHBondContact O-N 3.34Å; N150-R153 PolarHBondContact O-N 3.03Å; N150-R153 WeakPolarHBondContact OD1-CD 3.42Å |
| 151 | N | 90.8 | Very high | 89.8 | Confident | 13 Ų | 13 | 74.4 Ų | 74.4 | 7% | 0.07 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -71 | -8.1 | 175.4 | -63.2 | -28.1 | 0 | 0 | 0 | 113.1 | Q6 G7 K148 E149 F177 | Q6-N151 VanDerWaalsContact CA-OD1 3.24Å; Q6-N151 WeakPolarHBondContact CA-OD1 3.46Å; Q6-N151 WeakPolarHBondContact CG-O 3.5Å; Q6-N151 PolarHBondContact N-OD1 2.96Å; G7-N151 PolarHBondContact N-OD1 3.37Å; K148-N151 VanDerWaalsContact O-CB 3.29Å; K148-N151 WeakPolarHBondContact O-CB 3.26Å; K148-N151 PolarHBondContact O-N 3.44Å; E149-N151 PolarHBondContact O-N 3.48Å; E149-N151 VanDerWaalsContact O-N 3.15Å; N151-F177 HydrophobicContact CB-CD2 4.12Å; N151-F177 HydrophobicContact CB-CE2 3.87Å; N151-F177 HydrophobicContact CB-CZ 4.3Å; N151-F177 VanDerWaalsContact ND2-CE1 3.29Å; N151-F177 WeakPolarHBondContact ND2-CE1 3.47Å; N151-F177 VanDerWaalsContact ND2-CZ 3.31Å; N151-F177 WeakPolarHBondContact ND2-CZ 3.3Å |
| 152 | F | 93.9 | Very high | 89.4 | Confident | 2 Ų | 2 | 70 Ų | 70 | 1% | 0.009 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -112.4 | 12.6 | 178.5 | -61.3 | -97.9 | 0 | 0 | 0 | 111.9 | R133 I139 I144 E149 N150 K154 Y172 A176 F177 I185 | R133-F152 VanDerWaalsContact CZ-O 3.24Å; R133-F152 PolarHBondContact NH1-O 2.74Å; R133-F152 PolarHBondContact NH2-O 3.03Å; I139-F152 HydrophobicContact CD1-CD1 4.08Å; I139-F152 HydrophobicContact CG2-CB 3.96Å; I139-F152 HydrophobicContact CG2-CD1 3.82Å; I139-F152 HydrophobicContact CG2-CG 4Å; I144-F152 HydrophobicContact CD1-CD1 4.39Å; I144-F152 HydrophobicContact CD1-CD2 3.49Å; I144-F152 VanDerWaalsContact CD1-CD2 3.49Å; I144-F152 HydrophobicContact CD1-CE1 4.49Å; I144-F152 HydrophobicContact CD1-CE2 3.62Å; I144-F152 HydrophobicContact CD1-CG 3.89Å; I144-F152 HydrophobicContact CD1-CZ 4.12Å; I144-F152 HydrophobicContact CG1-CD2 4.31Å; I144-F152 HydrophobicContact CG1-CE2 3.92Å; I144-F152 HydrophobicContact CG1-CZ 4.23Å; I144-F152 HydrophobicContact CG2-CD2 4.36Å; I144-F152 HydrophobicContact CG2-CE2 3.92Å; E149-F152 PolarHBondContact O-N 3.25Å; N150-F152 PolarHBondContact O-N 3.34Å; F152-K154 PolarHBondContact O-N 3.39Å; F152-Y172 HydrophobicContact CE1-CD2 4.25Å; F152-A176 HydrophobicContact CZ-CB 4.38Å; F152-A176 WeakPolarHBondContact CZ-O 3.39Å; F152-F177 HydrophobicContact CE2-CB 4.01Å; F152-F177 AromaticContact CE2-CD2 3.79Å; F152-F177 HydrophobicContact CE2-CD2 3.79Å; F152-F177 HydrophobicContact CE2-CG 4.27Å; F152-F177 HydrophobicContact CZ-CB 4.25Å; F152-F177 AromaticContact CZ-CD2 3.91Å; F152-F177 HydrophobicContact CZ-CD2 3.91Å; F152-I185 HydrophobicContact CD1-CD1 4.4Å; F152-I185 HydrophobicContact CD1-CG1 4.32Å; F152-I185 HydrophobicContact CE1-CD1 3.92Å; F152-I185 HydrophobicContact CE1-CG1 3.77Å |
| 153 | R | 90.8 | Very high | 89.2 | Confident | 144 Ų | 144 | 68.8 Ų | 68.8 | 54% | 0.543 | 36% | 0.359 | S | S | . | . | trans | -66.3 | 135.6 | 174.6 | -73.4 | -179 | 69.3 | -165.1 | 1.9 | 110.6 | Q6 N150 | Q6-R153 PolarHBondContact NE2-O 3.05Å; N150-R153 PolarHBondContact O-N 3.03Å; N150-R153 WeakPolarHBondContact OD1-CD 3.42Å | ||
| 154 | K | 87.9 | Confident | 89.1 | Confident | 93 Ų | 93 | 68.9 Ų | 68.9 | 40% | 0.404 | 36% | 0.359 | S | S | . | . | trans | -66.2 | 148.7 | 168.6 | -64.3 | -168.5 | -64.8 | -174.8 | 0 | 110.3 | S129 R133 D134 F152 | S129-K154 CarbonylContact O-C 3.31Å; S129-K154 WeakPolarHBondContact O-CA 3.32Å; R133-K154 HydrophobicContact CG-CD 3.8Å; R133-K154 HydrophobicContact CG-CG 3.83Å; D134-K154 WeakPolarHBondContact OD2-CD 3.31Å; D134-K154 VanDerWaalsContact OD2-CE 3.24Å; D134-K154 WeakPolarHBondContact OD2-CE 3.39Å; D134-K154 IonicContact OD2-NZ 2.67Å; D134-K154 PolarHBondContact OD2-NZ 3.34Å; F152-K154 PolarHBondContact O-N 3.39Å | ||
| 155 | V | 82.1 | Confident | 89 | Confident | 17 Ų | 17 | 69.6 Ų | 69.6 | 10% | 0.103 | 36% | 0.363 | C | S | . | . | trans | -114.1 | 146.7 | 171.8 | -178.7 | 0 | 0 | 0 | 0 | 107.3 | S129 S131 T157 | S129-V155 PolarHBondContact O-N 2.86Å; S131-V155 PolarHBondContact N-O 3.22Å; V155-T157 HydrophobicContact CB-CG2 4.12Å; V155-T157 HydrophobicContact CG1-CG2 4.3Å; V155-T157 PolarHBondContact O-N 2.74Å | ||
| 156 | K | 78.4 | Confident | 88.9 | Confident | 174 Ų | 174 | 65.7 Ų | 65.7 | 76% | 0.757 | 35% | 0.346 | S | S | * | . | trans | -72.4 | 94 | 169.8 | -174 | 177.5 | -178.8 | 176.9 | 0 | 108.2 | ||||
| 157 | T | 76.3 | Confident | 88.9 | Confident | 32 Ų | 32 | 59.7 Ų | 59.7 | 20% | 0.196 | 33% | 0.326 | C | S | . | . | trans | -93.5 | 148.9 | -175.1 | 49.6 | 0 | 0 | 0 | 0 | 112.1 | R130 S131 V155 N159 | R130-T157 WeakPolarHBondContact CA-OG1 3.33Å; S131-T157 PolarHBondContact N-OG1 3.31Å; S131-T157 PolarHBondContact OG-OG1 2.92Å; V155-T157 HydrophobicContact CB-CG2 4.12Å; V155-T157 HydrophobicContact CG1-CG2 4.3Å; V155-T157 PolarHBondContact O-N 2.74Å; T157-N159 WeakPolarHBondContact CB-OD1 3.35Å; T157-N159 PolarHBondContact OG1-OD1 3.45Å | ||
| 158 | N | 79.8 | Confident | 89 | Confident | 101 Ų | 101 | 57.2 Ų | 57.2 | 54% | 0.54 | 30% | 0.3 | S | S | . | . | trans | -91 | 108.7 | 156 | 178.5 | -2.1 | 0 | 0 | 0 | 106.9 | L160 | N158-L160 PolarHBondContact O-N 3.16Å; N158-L160 PolarHBondContact OD1-N 3.47Å | ||
| 159 | N | 82.5 | Confident | 89.2 | Confident | 32 Ų | 32 | 52.7 Ų | 52.7 | 17% | 0.171 | 28% | 0.28 | C | S | . | . | trans | -76.3 | -2.2 | -175.3 | -69 | -8.2 | 0 | 0 | 0 | 113.3 | R130 D132 T157 G161 T162 | R130-N159 VanDerWaalsContact NH2-CB 3.33Å; R130-N159 PolarHBondContact NH2-ND2 3.24Å; D132-N159 PolarHBondContact OD1-ND2 3.05Å; D132-N159 VanDerWaalsContact OD1-ND2 3.12Å; D132-N159 PolarHBondContact OD2-ND2 3.32Å; T157-N159 WeakPolarHBondContact CB-OD1 3.35Å; T157-N159 PolarHBondContact OG1-OD1 3.45Å; N159-G161 PolarHBondContact O-N 3.35Å; N159-G161 VanDerWaalsContact O-N 3.07Å; N159-T162 PolarHBondContact O-N 2.95Å; N159-T162 PolarHBondContact O-OG1 3.17Å | ||
| 160 | L | 84.1 | Confident | 89.4 | Confident | 27 Ų | 27 | 49.6 Ų | 49.6 | 14% | 0.141 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | 31.8 | 176.5 | -60 | 169.8 | 0 | 0 | 0 | 113.2 | F124 N158 T162 R208 R211 L212 | F124-L160 HydrophobicContact CE1-CD1 4.1Å; N158-L160 PolarHBondContact O-N 3.16Å; N158-L160 PolarHBondContact OD1-N 3.47Å; L160-T162 VanDerWaalsContact C-N 3.25Å; L160-T162 PolarHBondContact O-N 2.88Å; L160-R208 HydrophobicContact CD1-CB 4.01Å; L160-R208 HydrophobicContact CD1-CG 4.32Å; L160-R208 WeakPolarHBondContact CD1-O 3.36Å; L160-R211 HydrophobicContact CB-CB 4.4Å; L160-R211 VanDerWaalsContact O-CD 3.22Å; L160-R211 WeakPolarHBondContact O-CD 3.43Å; L160-R211 PolarHBondContact O-NH1 3.05Å; L160-L212 HydrophobicContact CD1-CB 3.88Å; L160-L212 HydrophobicContact CD1-CD1 4.08Å; L160-L212 HydrophobicContact CD2-CD1 4.1Å |
| 161 | G | 83.1 | Confident | 89.8 | Confident | 71 Ų | 71 | 45.3 Ų | 45.3 | 73% | 0.732 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.5 | 29.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | N159 R211 | N159-G161 PolarHBondContact O-N 3.35Å; N159-G161 VanDerWaalsContact O-N 3.07Å; G161-R211 PolarHBondContact O-NH1 3.06Å |
| 162 | T | 88.7 | Confident | 90 | Very high | 9 Ų | 9 | 45.6 Ų | 45.6 | 6% | 0.055 | 24% | 0.243 | C | C | . | . | trans | -110.6 | 143.7 | 176.8 | 56.5 | 0 | 0 | 0 | 0 | 110.9 | R130 N159 L160 T207 R208 R211 | R130-T162 PolarHBondContact NH1-O 3.06Å; R130-T162 PolarHBondContact NH2-O 3.46Å; N159-T162 PolarHBondContact O-N 2.95Å; N159-T162 PolarHBondContact O-OG1 3.17Å; L160-T162 VanDerWaalsContact C-N 3.25Å; L160-T162 PolarHBondContact O-N 2.88Å; T162-T207 HydrophobicContact CG2-CG2 4.17Å; T162-R208 HydrophobicContact CG2-CG 3.78Å; T162-R208 PolarHBondContact OG1-NE 2.91Å; T162-R208 PolarHBondContact OG1-NH2 2.89Å; T162-R211 VanDerWaalsContact CG2-NH1 3.32Å | ||
| 163 | P | 94.6 | Very high | 90 | Very high | 88 Ų | 88 | 46.9 Ų | 46.9 | 57% | 0.571 | 26% | 0.257 | S | S | * | . | trans | -66.3 | 165.4 | 173.8 | 30.5 | -34.8 | 0 | 0 | 0 | 110.7 | R208 | P163-R208 PolarHBondContact O-NH2 3.33Š| ||
| 164 | Y | 95.1 | Very high | 90.2 | Very high | 18 Ų | 18 | 40.9 Ų | 40.9 | 7% | 0.071 | 24% | 0.235 | C | C | . | . | trans | -64.5 | 135.6 | 169.8 | -167.6 | -81.5 | 0 | 0 | 0 | 110.4 | E127 Q128 R133 H136 V137 F166 E171 | E127-Y164 HydrophobicContact CG-CD1 4.46Å; E127-Y164 HydrophobicContact CG-CD2 4.34Å; E127-Y164 HydrophobicContact CG-CE1 4.15Å; E127-Y164 HydrophobicContact CG-CE2 4.03Å; E127-Y164 WeakPolarHBondContact O-CE2 3.31Å; E127-Y164 WeakPolarHBondContact OE1-CA 3.2Å; Q128-Y164 VanDerWaalsContact CA-OH 3.31Å; Q128-Y164 WeakPolarHBondContact CA-OH 3.15Å; R133-Y164 HydrophobicContact CB-CD2 4.45Å; R133-Y164 HydrophobicContact CB-CE2 3.74Å; H136-Y164 HydrophobicContact CB-CD1 3.86Å; H136-Y164 HydrophobicContact CB-CD2 4.04Å; H136-Y164 HydrophobicContact CB-CE1 4.29Å; H136-Y164 HydrophobicContact CB-CE2 4.43Å; H136-Y164 HydrophobicContact CB-CG 3.73Å; H136-Y164 WeakPolarHBondContact CD2-CB 3.4Å; H136-Y164 AromaticContact CD2-CD2 3.55Å; H136-Y164 AromaticContact CD2-CG 3.53Å; H136-Y164 VanDerWaalsContact CG-CB 3.43Å; H136-Y164 AromaticContact CG-CD2 3.96Å; H136-Y164 AromaticContact CG-CG 3.58Å; H136-Y164 WeakPolarHBondContact NE2-CB 3.29Å; V137-Y164 HydrophobicContact CG1-CE1 4.11Å; Y164-F166 AromaticContact CD1-CD2 3.95Å; Y164-F166 HydrophobicContact CD1-CD2 3.95Å; Y164-F166 AromaticContact CD1-CE2 3.81Å; Y164-F166 HydrophobicContact CD1-CE2 3.81Å; Y164-F166 HydrophobicContact CD1-CG 4.36Å; Y164-F166 HydrophobicContact CD1-CZ 4.12Å; Y164-F166 HydrophobicContact CE1-CD1 4.03Å; Y164-F166 HydrophobicContact CE1-CD2 4.16Å; Y164-F166 AromaticContact CE1-CE1 3.93Å; Y164-F166 HydrophobicContact CE1-CE1 3.93Å; Y164-F166 HydrophobicContact CE1-CE2 4.03Å; Y164-F166 HydrophobicContact CE1-CG 4.16Å; Y164-F166 AromaticContact CE1-CZ 3.92Å; Y164-F166 HydrophobicContact CE1-CZ 3.92Å; Y164-E171 PolarHBondContact OH-OE1 2.82Å; Y164-E171 PolarHBondContact OH-OE2 3.48Å | ||
| 165 | D | 96.1 | Very high | 90.6 | Very high | 16 Ų | 16 | 42.9 Ų | 42.9 | 9% | 0.086 | 24% | 0.24 | C | C | . | . | trans | -126.5 | 97.5 | -172 | -177.1 | 12.9 | 0 | 0 | 0 | 112.6 | E127 T167 S168 S202 N204 | E127-D165 PolarHBondContact OE1-N 3.18Å; D165-T167 PolarHBondContact O-N 3.02Å; D165-T167 VanDerWaalsContact O-N 3.1Å; D165-T167 WeakPolarHBondContact OD1-CA 3.42Å; D165-T167 WeakPolarHBondContact OD1-CB 3.04Å; D165-T167 PolarHBondContact OD1-N 3Å; D165-T167 PolarHBondContact OD1-OG1 3.38Å; D165-S168 VanDerWaalsContact CG-N 3.29Å; D165-S168 WeakPolarHBondContact O-CB 3.01Å; D165-S168 PolarHBondContact O-N 3.4Å; D165-S168 PolarHBondContact OD1-N 3.49Å; D165-S168 PolarHBondContact OD2-N 2.97Å; D165-S202 WeakPolarHBondContact OD2-CB 3.38Å; D165-S202 PolarHBondContact OD2-OG 3.49Å; D165-N204 HydrophobicContact CB-CB 4.16Å; D165-N204 WeakPolarHBondContact OD2-CB 3.34Å | ||
| 166 | F | 95.9 | Very high | 91.2 | Very high | 26 Ų | 26 | 43.1 Ų | 43.1 | 11% | 0.114 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -17 | 173.2 | -70.1 | -85.9 | 0 | 0 | 0 | 114.3 | H136 V137 Y164 A187 Y193 W195 | H136-F166 HydrophobicContact CB-CE2 4.47Å; H136-F166 HydrophobicContact CB-CZ 4.31Å; V137-F166 HydrophobicContact CG1-CD1 4.5Å; V137-F166 HydrophobicContact CG1-CE1 3.37Å; V137-F166 HydrophobicContact CG1-CZ 3.58Å; Y164-F166 AromaticContact CD1-CD2 3.95Å; Y164-F166 HydrophobicContact CD1-CD2 3.95Å; Y164-F166 AromaticContact CD1-CE2 3.81Å; Y164-F166 HydrophobicContact CD1-CE2 3.81Å; Y164-F166 HydrophobicContact CD1-CG 4.36Å; Y164-F166 HydrophobicContact CD1-CZ 4.12Å; Y164-F166 HydrophobicContact CE1-CD1 4.03Å; Y164-F166 HydrophobicContact CE1-CD2 4.16Å; Y164-F166 AromaticContact CE1-CE1 3.93Å; Y164-F166 HydrophobicContact CE1-CE1 3.93Å; Y164-F166 HydrophobicContact CE1-CE2 4.03Å; Y164-F166 HydrophobicContact CE1-CG 4.16Å; Y164-F166 AromaticContact CE1-CZ 3.92Å; Y164-F166 HydrophobicContact CE1-CZ 3.92Å; F166-A187 HydrophobicContact CE1-CB 3.7Å; F166-A187 HydrophobicContact CE2-CB 4.49Å; F166-A187 HydrophobicContact CZ-CB 3.59Å; F166-Y193 HydrophobicContact CB-CD1 4.49Å; F166-Y193 HydrophobicContact CB-CE1 3.59Å; F166-Y193 HydrophobicContact CD1-CD1 4.24Å; F166-Y193 HydrophobicContact CD1-CE1 4.13Å; F166-Y193 HydrophobicContact CD2-CE1 4.1Å; F166-Y193 HydrophobicContact CG-CD1 4.2Å; F166-Y193 AromaticContact CG-CE1 3.69Å; F166-Y193 HydrophobicContact CG-CE1 3.69Å; F166-W195 HydrophobicContact CB-CB 4.15Å; F166-W195 HydrophobicContact CB-CG 4.22Å; F166-W195 AromaticContact CD1-CD2 3.75Å; F166-W195 HydrophobicContact CD1-CD2 3.75Å; F166-W195 AromaticContact CD1-CE2 3.81Å; F166-W195 HydrophobicContact CD1-CE3 4.09Å; F166-W195 HydrophobicContact CD1-CG 4.02Å; F166-W195 HydrophobicContact CD1-CZ2 4.2Å; F166-W195 HydrophobicContact CD1-CZ3 4.46Å; F166-W195 HydrophobicContact CE1-CD2 4.37Å; F166-W195 HydrophobicContact CE1-CE3 4.43Å; F166-W195 HydrophobicContact CE1-CH2 4.2Å; F166-W195 HydrophobicContact CE1-CZ2 4.14Å; F166-W195 HydrophobicContact CE1-CZ3 4.35Å |
| 167 | T | 96.1 | Very high | 92.1 | Very high | 74 Ų | 74 | 37.3 Ų | 37.3 | 45% | 0.454 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -1.8 | 177.1 | 73.7 | 0 | 0 | 0 | 0 | 112.9 | D165 A198 | D165-T167 PolarHBondContact O-N 3.02Å; D165-T167 VanDerWaalsContact O-N 3.1Å; D165-T167 WeakPolarHBondContact OD1-CA 3.42Å; D165-T167 WeakPolarHBondContact OD1-CB 3.04Å; D165-T167 PolarHBondContact OD1-N 3Å; D165-T167 PolarHBondContact OD1-OG1 3.38Å; T167-A198 WeakPolarHBondContact O-CB 3.49Å |
| 168 | S | 97.5 | Very high | 93.1 | Very high | 3 Ų | 3 | 36.6 Ų | 36.6 | 2% | 0.021 | 22% | 0.215 | C | C | . | . | trans | -57.3 | 140.8 | 174.8 | 174.5 | 0 | 0 | 0 | 0 | 110 | D165 M170 E171 D205 | D165-S168 VanDerWaalsContact CG-N 3.29Å; D165-S168 WeakPolarHBondContact O-CB 3.01Å; D165-S168 PolarHBondContact O-N 3.4Å; D165-S168 PolarHBondContact OD1-N 3.49Å; D165-S168 PolarHBondContact OD2-N 2.97Å; S168-M170 PolarHBondContact O-N 2.99Å; S168-M170 WeakPolarHBondContact OG-CB 3.38Å; S168-M170 PolarHBondContact OG-N 2.85Å; S168-E171 WeakPolarHBondContact O-CB 3.5Å; S168-E171 PolarHBondContact O-N 3.12Å; S168-E171 VanDerWaalsContact O-N 3.14Å; S168-D205 WeakPolarHBondContact CB-OD1 3.38Å; S168-D205 PolarHBondContact OG-OD1 3.19Å | ||
| 169 | I | 97.4 | Very high | 93.9 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -17.2 | 172.4 | -155.7 | 172 | 0 | 0 | 0 | 112.4 | R112 Q115 H116 L119 M201 D205 | R112-I169 HydrophobicContact CB-CD1 4.24Å; R112-I169 HydrophobicContact CG-CD1 3.71Å; R112-I169 HydrophobicContact CG-CG1 3.84Å; R112-I169 WeakPolarHBondContact O-CD1 3.26Å; Q115-I169 HydrophobicContact CB-CD1 3.81Å; H116-I169 HydrophobicContact CB-CG1 4.42Å; H116-I169 PolarHBondContact ND1-O 3.24Å; L119-I169 HydrophobicContact CD1-CG2 3.42Å; L119-I169 VanDerWaalsContact CD1-CG2 3.42Å; I169-M201 HydrophobicContact CG2-CG 4.25Å; I169-D205 WeakPolarHBondContact CG2-OD2 3.45Å; I169-D205 PolarHBondContact N-OD2 3.19Å |
| 170 | M | 97.1 | Very high | 94.6 | Very high | 4 Ų | 4 | 39.3 Ų | 39.3 | 2% | 0.02 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | 0.6 | 176.9 | -52.6 | -51.6 | -63.7 | 0 | 0 | 112.7 | H116 L119 H120 H126 E127 S168 | H116-M170 HydrophobicContact CB-SD 4.39Å; H116-M170 PolarHBondContact ND1-SD 3.13Å; L119-M170 HydrophobicContact CB-CE 4.25Å; L119-M170 HydrophobicContact CB-CG 4.47Å; L119-M170 HydrophobicContact CB-SD 3.61Å; L119-M170 HydrophobicContact CD1-CG 3.88Å; L119-M170 HydrophobicContact CD1-SD 3.58Å; L119-M170 VanDerWaalsContact CD1-SD 3.58Å; L119-M170 HydrophobicContact CG-SD 4.25Å; H120-M170 WeakPolarHBondContact CE1-CE 3.45Å; H120-M170 WeakPolarHBondContact ND1-CE 3.44Å; H126-M170 CarbonylContact C-O 3.46Å; H126-M170 VanDerWaalsContact CA-O 3.32Å; H126-M170 WeakPolarHBondContact CA-O 3.37Å; H126-M170 WeakPolarHBondContact CB-O 3.35Å; H126-M170 PolarHBondContact CD2-O 3.16Å; E127-M170 PolarHBondContact N-O 3.02Å; S168-M170 PolarHBondContact O-N 2.99Å; S168-M170 WeakPolarHBondContact OG-CB 3.38Å; S168-M170 PolarHBondContact OG-N 2.85Å |
| 171 | E | 97.3 | Very high | 95.2 | Very high | 6 Ų | 6 | 47 Ų | 47 | 3% | 0.028 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -86 | 129.2 | 177.1 | -179.5 | 64.5 | 172.4 | 0 | 0 | 111.6 | E127 Q128 Y164 S168 | E127-E171 HydrophobicContact CB-CB 3.95Å; E127-E171 VanDerWaalsContact CB-OE2 3.22Å; E127-E171 WeakPolarHBondContact CB-OE2 3.42Å; E127-E171 HydrophobicContact CG-CB 4.39Å; Q128-E171 WeakPolarHBondContact CB-OE2 3.43Å; Q128-E171 PolarHBondContact N-OE2 3.46Å; Y164-E171 PolarHBondContact OH-OE1 2.82Å; Y164-E171 PolarHBondContact OH-OE2 3.48Å; S168-E171 WeakPolarHBondContact O-CB 3.5Å; S168-E171 PolarHBondContact O-N 3.12Å; S168-E171 VanDerWaalsContact O-N 3.14Å |
| 172 | Y | 95.7 | Very high | 95.9 | Very high | 20 Ų | 20 | 47.9 Ų | 47.9 | 8% | 0.078 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -62.4 | 140.9 | 170.2 | -83.3 | 5.3 | 0 | 0 | 0 | 112.5 | Q6 H126 Q128 F152 A176 F177 I185 W195 | Q6-Y172 VanDerWaalsContact CA-OH 3.28Å; Q6-Y172 WeakPolarHBondContact CA-OH 2.82Å; Q6-Y172 WeakPolarHBondContact CB-OH 2.86Å; Q6-Y172 PolarHBondContact O-OH 3.15Å; H126-Y172 AromaticContact CD2-CD1 3.91Å; H126-Y172 AromaticContact CD2-CE1 3.52Å; H126-Y172 AromaticContact CE1-CE1 3.63Å; H126-Y172 AromaticContact CE1-CZ 3.98Å; H126-Y172 AromaticContact CG-CE1 3.88Å; H126-Y172 AromaticContact ND1-CE1 3.95Å; H126-Y172 AromaticContact NE2-CE1 3.32Å; H126-Y172 VanDerWaalsContact NE2-CE1 3.32Å; H126-Y172 WeakPolarHBondContact NE2-CE1 3.39Å; Q128-Y172 VanDerWaalsContact CD-CD2 3.45Å; Q128-Y172 HydrophobicContact CG-CD2 3.92Å; Q128-Y172 HydrophobicContact CG-CG 4.12Å; Q128-Y172 VanDerWaalsContact NE2-CG 3.26Å; Q128-Y172 VanDerWaalsContact NE2-CZ 3.28Å; F152-Y172 HydrophobicContact CE1-CD2 4.25Å; Y172-A176 HydrophobicContact CD2-CB 3.69Å; Y172-A176 HydrophobicContact CE2-CB 4.43Å; Y172-A176 HydrophobicContact CG-CB 3.97Å; Y172-F177 HydrophobicContact CD2-CE2 4.38Å; Y172-F177 HydrophobicContact CE2-CD2 4.11Å; Y172-F177 AromaticContact CE2-CE2 3.57Å; Y172-F177 HydrophobicContact CE2-CE2 3.57Å; Y172-F177 AromaticContact CZ-CE2 3.8Å; Y172-I185 HydrophobicContact CD2-CD1 4.41Å; Y172-W195 PolarHBondContact O-NE1 2.82Å |
| 173 | G | 94.3 | Very high | 96.2 | Very high | 29 Ų | 29 | 48.9 Ų | 48.9 | 30% | 0.299 | 25% | 0.25 | S | S | . | . | P | Polyproline II helix | trans | -65.5 | 152.8 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y175 A176 | G173-Y175 PolarHBondContact O-N 3.14Å; G173-A176 VanDerWaalsContact O-CB 3.32Å; G173-A176 WeakPolarHBondContact O-CB 3.36Å; G173-A176 PolarHBondContact O-N 3.19Å |
| 174 | K | 94.2 | Very high | 96.4 | Very high | 18 Ų | 18 | 44.7 Ų | 44.7 | 8% | 0.078 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.5 | -29.9 | -176.7 | -60.8 | -175 | 67.4 | 165.5 | 0 | 115.2 | P183 T184 I185 P191 Y193 W195 | K174-P183 HydrophobicContact CB-CB 4.43Å; K174-P183 CarbonylContact O-C 3.6Å; K174-P183 VanDerWaalsContact O-CA 3.24Å; K174-P183 WeakPolarHBondContact O-CA 3.39Å; K174-T184 PolarHBondContact O-N 3.19Å; K174-T184 PolarHBondContact O-OG1 3Å; K174-I185 PolarHBondContact O-N 2.79Å; K174-P191 PolarHBondContact NZ-O 2.84Å; K174-Y193 PolarHBondContact NZ-O 2.82Å; K174-W195 HydrophobicContact CD-CD2 4.22Å; K174-W195 HydrophobicContact CD-CE3 3.77Å; K174-W195 HydrophobicContact CD-CH2 4.1Å; K174-W195 HydrophobicContact CD-CZ3 3.72Å; K174-W195 HydrophobicContact CG-CD2 3.77Å; K174-W195 HydrophobicContact CG-CE3 3.8Å; K174-W195 HydrophobicContact CG-CH2 3.7Å; K174-W195 HydrophobicContact CG-CZ2 3.65Å; K174-W195 HydrophobicContact CG-CZ3 3.77Å |
| 175 | Y | 95.6 | Very high | 96.5 | Very high | 134 Ų | 134 | 43.8 Ų | 43.8 | 53% | 0.525 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | 11.3 | -173.6 | -54 | -76.9 | 0 | 0 | 0 | 113.4 | G173 F177 S178 K181 P183 | G173-Y175 PolarHBondContact O-N 3.14Å; Y175-F177 PolarHBondContact O-N 2.7Å; Y175-S178 VanDerWaalsContact O-CB 3.26Å; Y175-S178 WeakPolarHBondContact O-CB 3.46Å; Y175-S178 PolarHBondContact O-N 3.16Å; Y175-K181 WeakPolarHBondContact CD1-O 3.43Å; Y175-K181 WeakPolarHBondContact CE1-O 3.08Å; Y175-P183 HydrophobicContact CE1-CB 4.38Å |
| 176 | A | 95.2 | Very high | 96.5 | Very high | 22 Ų | 22 | 43.9 Ų | 43.9 | 18% | 0.182 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | 128.4 | -180 | 0 | 0 | 0 | 0 | 0 | 110.3 | F152 Y172 G173 S178 T184 | F152-A176 HydrophobicContact CZ-CB 4.38Å; F152-A176 WeakPolarHBondContact CZ-O 3.39Å; Y172-A176 HydrophobicContact CD2-CB 3.69Å; Y172-A176 HydrophobicContact CE2-CB 4.43Å; Y172-A176 HydrophobicContact CG-CB 3.97Å; G173-A176 VanDerWaalsContact O-CB 3.32Å; G173-A176 WeakPolarHBondContact O-CB 3.36Å; G173-A176 PolarHBondContact O-N 3.19Å; A176-S178 PolarHBondContact O-N 3.19Å; A176-T184 WeakPolarHBondContact O-CB 3.46Å; A176-T184 VanDerWaalsContact O-CG2 3.28Å; A176-T184 WeakPolarHBondContact O-CG2 3.42Å; A176-T184 PolarHBondContact O-OG1 2.83Å |
| 177 | F | 96.6 | Very high | 96.6 | Very high | 53 Ų | 53 | 42.6 Ų | 42.6 | 23% | 0.232 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 23.3 | -179.5 | -51.9 | -78.3 | 0 | 0 | 0 | 116.1 | I144 K145 K148 N151 F152 Y172 Y175 | I144-F177 HydrophobicContact CG2-CB 4.46Å; K145-F177 VanDerWaalsContact CG-O 3.29Å; K145-F177 WeakPolarHBondContact CG-O 3.36Å; K145-F177 PolarHBondContact N-O 2.89Å; K148-F177 HydrophobicContact CB-CB 4.05Å; K148-F177 HydrophobicContact CB-CD1 4.1Å; K148-F177 HydrophobicContact CB-CG 4.2Å; K148-F177 HydrophobicContact CD-CD1 4.16Å; K148-F177 HydrophobicContact CD-CE1 4.48Å; K148-F177 HydrophobicContact CG-CD1 4.06Å; N151-F177 HydrophobicContact CB-CD2 4.12Å; N151-F177 HydrophobicContact CB-CE2 3.87Å; N151-F177 HydrophobicContact CB-CZ 4.3Å; N151-F177 VanDerWaalsContact ND2-CE1 3.29Å; N151-F177 WeakPolarHBondContact ND2-CE1 3.47Å; N151-F177 VanDerWaalsContact ND2-CZ 3.31Å; N151-F177 WeakPolarHBondContact ND2-CZ 3.3Å; F152-F177 HydrophobicContact CE2-CB 4.01Å; F152-F177 AromaticContact CE2-CD2 3.79Å; F152-F177 HydrophobicContact CE2-CD2 3.79Å; F152-F177 HydrophobicContact CE2-CG 4.27Å; F152-F177 HydrophobicContact CZ-CB 4.25Å; F152-F177 AromaticContact CZ-CD2 3.91Å; F152-F177 HydrophobicContact CZ-CD2 3.91Å; Y172-F177 HydrophobicContact CD2-CE2 4.38Å; Y172-F177 HydrophobicContact CE2-CD2 4.11Å; Y172-F177 AromaticContact CE2-CE2 3.57Å; Y172-F177 HydrophobicContact CE2-CE2 3.57Å; Y172-F177 AromaticContact CZ-CE2 3.8Å; Y175-F177 PolarHBondContact O-N 2.7Å |
| 178 | S | 97.6 | Very high | 96.6 | Very high | 17 Ų | 17 | 44.6 Ų | 44.6 | 12% | 0.119 | 22% | 0.217 | C | C | . | . | B | Isolated β-bridge | trans | -66.1 | 136.6 | 177.5 | -179.8 | 0 | 0 | 0 | 0 | 112.2 | N143 K145 Y175 A176 N180 K181 L182 | N143-S178 CarbonylContact O-C 3.52Å; N143-S178 WeakPolarHBondContact O-CA 3.28Å; K145-S178 WeakPolarHBondContact CE-O 3.08Å; Y175-S178 VanDerWaalsContact O-CB 3.26Å; Y175-S178 WeakPolarHBondContact O-CB 3.46Å; Y175-S178 PolarHBondContact O-N 3.16Å; A176-S178 PolarHBondContact O-N 3.19Å; S178-N180 PolarHBondContact OG-N 2.59Å; S178-N180 PolarHBondContact OG-OD1 2.95Å; S178-K181 WeakPolarHBondContact OG-CA 3.26Å; S178-K181 PolarHBondContact OG-N 2.61Å; S178-L182 VanDerWaalsContact CB-O 3.3Å; S178-L182 WeakPolarHBondContact CB-O 3.06Å; S178-L182 PolarHBondContact OG-N 3.44Å; S178-L182 PolarHBondContact OG-O 2.94Å |
| 179 | K | 97.8 | Very high | 96.4 | Very high | 127 Ų | 127 | 49.7 Ų | 49.7 | 55% | 0.552 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -91.7 | -19 | 175.2 | 75.1 | -176.4 | 172.5 | -155.2 | 0 | 113.8 | E142 N143 I144 K145 | E142-K179 WeakPolarHBondContact O-CE 3.42Å; E142-K179 PolarHBondContact O-NZ 3.27Å; N143-K179 PolarHBondContact O-N 3.15Å; I144-K179 WeakPolarHBondContact O-CD 3.3Å; K145-K179 HydrophobicContact CB-CB 4.45Å; K145-K179 HydrophobicContact CG-CB 3.8Å |
| 180 | N | 97.8 | Very high | 96.1 | Very high | 63 Ų | 63 | 53.1 Ų | 53.1 | 34% | 0.337 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -130.8 | 13.9 | -168.5 | 56.8 | 2.7 | 0 | 0 | 0 | 112.8 | N143 S178 L182 | N143-N180 PolarHBondContact OD1-ND2 3.36Å; S178-N180 PolarHBondContact OG-N 2.59Å; S178-N180 PolarHBondContact OG-OD1 2.95Å; N180-L182 PolarHBondContact O-N 2.61Å; N180-L182 VanDerWaalsContact O-N 3.1Å; N180-L182 WeakPolarHBondContact OD1-CB 3.4Å; N180-L182 PolarHBondContact OD1-N 2.87Å |
| 181 | K | 95.9 | Very high | 95.7 | Very high | 188 Ų | 188 | 56.9 Ų | 56.9 | 82% | 0.817 | 30% | 0.296 | S | S | * | . | S | Bend | trans | 61.7 | 10.1 | -176 | -52.9 | 176 | 179.9 | 176.6 | 0 | 114 | Y175 S178 | Y175-K181 WeakPolarHBondContact CD1-O 3.43Å; Y175-K181 WeakPolarHBondContact CE1-O 3.08Å; S178-K181 WeakPolarHBondContact OG-CA 3.26Å; S178-K181 PolarHBondContact OG-N 2.61Å |
| 182 | L | 96.6 | Very high | 95.3 | Very high | 89 Ų | 89 | 65.4 Ų | 65.4 | 47% | 0.466 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -87.8 | 155.6 | 170.1 | -60.2 | -177.5 | 0 | 0 | 0 | 110.1 | N143 S178 N180 | N143-L182 HydrophobicContact CB-CB 4.48Å; S178-L182 VanDerWaalsContact CB-O 3.3Å; S178-L182 WeakPolarHBondContact CB-O 3.06Å; S178-L182 PolarHBondContact OG-N 3.44Å; S178-L182 PolarHBondContact OG-O 2.94Å; N180-L182 PolarHBondContact O-N 2.61Å; N180-L182 VanDerWaalsContact O-N 3.1Å; N180-L182 WeakPolarHBondContact OD1-CB 3.4Å; N180-L182 PolarHBondContact OD1-N 2.87Å |
| 183 | P | 96.5 | Very high | 95.1 | Very high | 30 Ų | 30 | 68.7 Ų | 68.7 | 20% | 0.195 | 35% | 0.346 | C | S | . | . | trans | -60.6 | 139.2 | 179.1 | 25.5 | -34.9 | 0 | 0 | 0 | 111.4 | L140 N143 K174 Y175 V186 | L140-P183 HydrophobicContact CD1-CG 4.37Å; L140-P183 WeakPolarHBondContact CD1-O 3.17Å; N143-P183 WeakPolarHBondContact CB-O 3.25Å; N143-P183 PolarHBondContact ND2-O 2.04Å; K174-P183 HydrophobicContact CB-CB 4.43Å; K174-P183 CarbonylContact O-C 3.6Å; K174-P183 VanDerWaalsContact O-CA 3.24Å; K174-P183 WeakPolarHBondContact O-CA 3.39Å; Y175-P183 HydrophobicContact CE1-CB 4.38Å; P183-V186 HydrophobicContact CB-CG1 4.04Å; P183-V186 HydrophobicContact CG-CG1 4.02Å | ||
| 184 | T | 97.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -96.7 | -16.8 | 169 | 50.6 | 0 | 0 | 0 | 0 | 111.8 | I139 L140 N143 I144 K174 A176 | I139-T184 WeakPolarHBondContact CA-O 3.32Å; L140-T184 PolarHBondContact N-O 3.28Å; N143-T184 HydrophobicContact CB-CG2 4.02Å; I144-T184 HydrophobicContact CG1-CG2 3.73Å; K174-T184 PolarHBondContact O-N 3.19Å; K174-T184 PolarHBondContact O-OG1 3Å; A176-T184 WeakPolarHBondContact O-CB 3.46Å; A176-T184 VanDerWaalsContact O-CG2 3.28Å; A176-T184 WeakPolarHBondContact O-CG2 3.42Å; A176-T184 PolarHBondContact O-OG1 2.83Å |
| 185 | I | 97.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 129.8 | 176.3 | -46 | 178.7 | 0 | 0 | 0 | 108.8 | Q128 V137 E138 I139 F152 Y172 K174 W195 | Q128-I185 HydrophobicContact CB-CD1 4.15Å; Q128-I185 HydrophobicContact CG-CD1 4.11Å; V137-I185 HydrophobicContact CB-CG2 3.74Å; V137-I185 HydrophobicContact CG1-CG2 3.89Å; V137-I185 HydrophobicContact CG2-CG2 4.13Å; E138-I185 WeakPolarHBondContact O-CA 3.17Å; I139-I185 HydrophobicContact CD1-CB 4.48Å; I139-I185 HydrophobicContact CD1-CG1 4.01Å; I139-I185 HydrophobicContact CD1-CG2 4.09Å; F152-I185 HydrophobicContact CD1-CD1 4.4Å; F152-I185 HydrophobicContact CD1-CG1 4.32Å; F152-I185 HydrophobicContact CE1-CD1 3.92Å; F152-I185 HydrophobicContact CE1-CG1 3.77Å; Y172-I185 HydrophobicContact CD2-CD1 4.41Å; K174-I185 PolarHBondContact O-N 2.79Å; I185-W195 HydrophobicContact CB-CZ2 4.01Å; I185-W195 HydrophobicContact CG2-CH2 4.31Å; I185-W195 HydrophobicContact CG2-CZ2 3.73Å; I185-W195 WeakPolarHBondContact O-CH2 3.38Å |
| 186 | V | 96.9 | Very high | 94.4 | Very high | 17 Ų | 17 | 66.1 Ų | 66.1 | 10% | 0.103 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 141.1 | 173.2 | -62.9 | 0 | 0 | 0 | 0 | 110.1 | V137 E138 L140 P183 | V137-V186 CarbonylContact C-O 3.59Å; V137-V186 VanDerWaalsContact CA-O 3.24Å; V137-V186 WeakPolarHBondContact CA-O 3.48Å; E138-V186 HydrophobicContact CB-CG2 3.8Å; E138-V186 HydrophobicContact CG-CG2 4.38Å; E138-V186 PolarHBondContact N-O 2.81Å; E138-V186 PolarHBondContact O-N 3.22Å; L140-V186 HydrophobicContact CD1-CG1 3.73Å; L140-V186 HydrophobicContact CD1-CG2 4.34Å; L140-V186 HydrophobicContact CD2-CG2 4.39Å; L140-V186 HydrophobicContact CG-CG1 4.45Å; L140-V186 HydrophobicContact CG-CG2 4.32Å; P183-V186 HydrophobicContact CB-CG1 4.04Å; P183-V186 HydrophobicContact CG-CG1 4.02Å |
| 187 | A | 96.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 132.6 | 176 | 0 | 0 | 0 | 0 | 0 | 109.7 | F166 N190 P191 Y193 W195 | F166-A187 HydrophobicContact CE1-CB 3.7Å; F166-A187 HydrophobicContact CE2-CB 4.49Å; F166-A187 HydrophobicContact CZ-CB 3.59Å; A187-N190 CarbonylContact O-C 3.53Å; A187-N190 PolarHBondContact O-N 3.13Å; A187-P191 WeakPolarHBondContact O-CA 3.4Å; A187-Y193 HydrophobicContact CB-CD1 4.36Å; A187-W195 HydrophobicContact CB-CH2 4.22Å; A187-W195 HydrophobicContact CB-CZ3 3.94Å |
| 188 | K | 95.9 | Very high | 94 | Very high | 115 Ų | 115 | 72.3 Ų | 72.3 | 50% | 0.5 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -67 | -37.4 | -178.3 | -72.5 | -168.2 | 167.8 | -169.7 | 0 | 113 | D134 H136 V137 N190 | D134-K188 WeakPolarHBondContact O-CD 3.08Å; D134-K188 WeakPolarHBondContact O-CE 3.1Å; D134-K188 PolarHBondContact O-NZ 3.41Å; H136-K188 PolarHBondContact O-N 3.07Å; V137-K188 WeakPolarHBondContact O-CE 3.48Å; K188-N190 VanDerWaalsContact C-N 3.31Å; K188-N190 PolarHBondContact O-N 2.67Å |
| 189 | S | 94.2 | Very high | 94 | Very high | 110 Ų | 110 | 76.4 Ų | 76.4 | 77% | 0.769 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -67.7 | -32.5 | 178.6 | 56.6 | 0 | 0 | 0 | 0 | 112.7 | ||
| 190 | N | 92.3 | Very high | 93.9 | Very high | 74 Ų | 74 | 76.7 Ų | 76.7 | 40% | 0.396 | 39% | 0.388 | S | S | . | . | trans | -158.5 | 102.8 | 178.9 | 177 | 2.8 | 0 | 0 | 0 | 110.4 | A187 K188 K192 Y193 | A187-N190 CarbonylContact O-C 3.53Å; A187-N190 PolarHBondContact O-N 3.13Å; K188-N190 VanDerWaalsContact C-N 3.31Å; K188-N190 PolarHBondContact O-N 2.67Å; N190-K192 PolarHBondContact O-N 2.81Å; N190-K192 WeakPolarHBondContact OD1-CA 3.41Å; N190-K192 WeakPolarHBondContact OD1-CB 3.4Å; N190-K192 PolarHBondContact OD1-N 3.19Å; N190-Y193 WeakPolarHBondContact O-CB 3.44Å; N190-Y193 PolarHBondContact O-N 3.34Å; N190-Y193 PolarHBondContact OD1-N 2.87Å | ||
| 191 | P | 87.9 | Confident | 93.9 | Very high | 83 Ų | 83 | 74.2 Ų | 74.2 | 54% | 0.539 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -23.1 | 179.7 | -28.1 | 36.1 | 0 | 0 | 0 | 114.6 | K174 A187 | K174-P191 PolarHBondContact NZ-O 2.84Å; A187-P191 WeakPolarHBondContact O-CA 3.4Å |
| 192 | K | 88.5 | Confident | 94 | Very high | 184 Ų | 184 | 66 Ų | 66 | 80% | 0.8 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -5.7 | 176.8 | -61.9 | -176.6 | -178.9 | 178.5 | 0 | 113.4 | N190 D194 | N190-K192 PolarHBondContact O-N 2.81Å; N190-K192 WeakPolarHBondContact OD1-CA 3.41Å; N190-K192 WeakPolarHBondContact OD1-CB 3.4Å; N190-K192 PolarHBondContact OD1-N 3.19Å; K192-D194 PolarHBondContact O-N 3.35Å |
| 193 | Y | 91.5 | Very high | 94 | Very high | 90 Ų | 90 | 67 Ų | 67 | 35% | 0.353 | 35% | 0.351 | S | S | . | . | trans | -54.8 | 136.2 | 175.8 | -174.3 | -115.9 | 0 | 0 | 0 | 110 | F166 K174 A187 N190 W195 | F166-Y193 HydrophobicContact CB-CD1 4.49Å; F166-Y193 HydrophobicContact CB-CE1 3.59Å; F166-Y193 HydrophobicContact CD1-CD1 4.24Å; F166-Y193 HydrophobicContact CD1-CE1 4.13Å; F166-Y193 HydrophobicContact CD2-CE1 4.1Å; F166-Y193 HydrophobicContact CG-CD1 4.2Å; F166-Y193 AromaticContact CG-CE1 3.69Å; F166-Y193 HydrophobicContact CG-CE1 3.69Å; K174-Y193 PolarHBondContact NZ-O 2.82Å; A187-Y193 HydrophobicContact CB-CD1 4.36Å; N190-Y193 WeakPolarHBondContact O-CB 3.44Å; N190-Y193 PolarHBondContact O-N 3.34Å; N190-Y193 PolarHBondContact OD1-N 2.87Å; Y193-W195 HydrophobicContact CD1-CB 4.48Å; Y193-W195 HydrophobicContact CD1-CD2 4.36Å; Y193-W195 AromaticContact CD1-CE3 3.55Å; Y193-W195 HydrophobicContact CD1-CE3 3.55Å; Y193-W195 HydrophobicContact CD1-CZ3 4.14Å; Y193-W195 HydrophobicContact CE1-CB 4.07Å; Y193-W195 HydrophobicContact CE1-CE3 4.23Å; Y193-W195 HydrophobicContact CG-CE3 4.36Å; Y193-W195 WeakPolarHBondContact O-CZ3 3.47Å | ||
| 194 | D | 89.3 | Confident | 93.9 | Very high | 77 Ų | 77 | 67.4 Ų | 67.4 | 41% | 0.412 | 35% | 0.351 | S | S | . | . | trans | -116.6 | 123.9 | -170.8 | -170.9 | 25.1 | 0 | 0 | 0 | 109 | K192 R197 | K192-D194 PolarHBondContact O-N 3.35Å; D194-R197 IonicContact OD1-NH2 2.61Å; D194-R197 IonicContact OD2-CZ 3.34Å; D194-R197 IonicContact OD2-NH1 2.96Å; D194-R197 PolarHBondContact OD2-NH1 3.16Å; D194-R197 IonicContact OD2-NH2 2.75Å; D194-R197 PolarHBondContact OD2-NH2 3.16Å | ||
| 195 | W | 94 | Very high | 93.9 | Very high | 17 Ų | 17 | 67.6 Ų | 67.6 | 6% | 0.064 | 35% | 0.352 | C | S | . | . | trans | -149.8 | -176.3 | -175 | 75.4 | 95.8 | 0 | 0 | 0 | 111.2 | F166 Y172 K174 I185 A187 Y193 | F166-W195 HydrophobicContact CB-CB 4.15Å; F166-W195 HydrophobicContact CB-CG 4.22Å; F166-W195 AromaticContact CD1-CD2 3.75Å; F166-W195 HydrophobicContact CD1-CD2 3.75Å; F166-W195 AromaticContact CD1-CE2 3.81Å; F166-W195 HydrophobicContact CD1-CE3 4.09Å; F166-W195 HydrophobicContact CD1-CG 4.02Å; F166-W195 HydrophobicContact CD1-CZ2 4.2Å; F166-W195 HydrophobicContact CD1-CZ3 4.46Å; F166-W195 HydrophobicContact CE1-CD2 4.37Å; F166-W195 HydrophobicContact CE1-CE3 4.43Å; F166-W195 HydrophobicContact CE1-CH2 4.2Å; F166-W195 HydrophobicContact CE1-CZ2 4.14Å; F166-W195 HydrophobicContact CE1-CZ3 4.35Å; Y172-W195 PolarHBondContact O-NE1 2.82Å; K174-W195 HydrophobicContact CD-CD2 4.22Å; K174-W195 HydrophobicContact CD-CE3 3.77Å; K174-W195 HydrophobicContact CD-CH2 4.1Å; K174-W195 HydrophobicContact CD-CZ3 3.72Å; K174-W195 HydrophobicContact CG-CD2 3.77Å; K174-W195 HydrophobicContact CG-CE3 3.8Å; K174-W195 HydrophobicContact CG-CH2 3.7Å; K174-W195 HydrophobicContact CG-CZ2 3.65Å; K174-W195 HydrophobicContact CG-CZ3 3.77Å; I185-W195 HydrophobicContact CB-CZ2 4.01Å; I185-W195 HydrophobicContact CG2-CH2 4.31Å; I185-W195 HydrophobicContact CG2-CZ2 3.73Å; I185-W195 WeakPolarHBondContact O-CH2 3.38Å; A187-W195 HydrophobicContact CB-CH2 4.22Å; A187-W195 HydrophobicContact CB-CZ3 3.94Å; Y193-W195 HydrophobicContact CD1-CB 4.48Å; Y193-W195 HydrophobicContact CD1-CD2 4.36Å; Y193-W195 AromaticContact CD1-CE3 3.55Å; Y193-W195 HydrophobicContact CD1-CE3 3.55Å; Y193-W195 HydrophobicContact CD1-CZ3 4.14Å; Y193-W195 HydrophobicContact CE1-CB 4.07Å; Y193-W195 HydrophobicContact CE1-CE3 4.23Å; Y193-W195 HydrophobicContact CG-CE3 4.36Å; Y193-W195 WeakPolarHBondContact O-CZ3 3.47Å | ||
| 196 | G | 87.1 | Confident | 93.9 | Very high | 32 Ų | 32 | 69.4 Ų | 69.4 | 33% | 0.33 | 36% | 0.362 | S | S | . | . | trans | 88.1 | 18.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 197 | R | 89.6 | Confident | 93.7 | Very high | 185 Ų | 185 | 70.4 Ų | 70.4 | 70% | 0.698 | 37% | 0.368 | S | S | * | . | trans | -104.1 | 13.8 | 176.2 | -62 | -176.5 | 179 | 132.7 | 10 | 113.6 | D194 T199 | D194-R197 IonicContact OD1-NH2 2.61Å; D194-R197 IonicContact OD2-CZ 3.34Å; D194-R197 IonicContact OD2-NH1 2.96Å; D194-R197 PolarHBondContact OD2-NH1 3.16Å; D194-R197 IonicContact OD2-NH2 2.75Å; D194-R197 PolarHBondContact OD2-NH2 3.16Å; R197-T199 PolarHBondContact O-N 3.07Å | ||
| 198 | A | 93.6 | Very high | 93.6 | Very high | 20 Ų | 20 | 71 Ų | 71 | 17% | 0.165 | 37% | 0.37 | C | S | . | . | trans | -56.6 | 125 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | R112 T167 | R112-A198 WeakPolarHBondContact CD-O 3.24Å; R112-A198 WeakPolarHBondContact CG-O 3.47Å; R112-A198 PolarHBondContact NE-O 3Å; T167-A198 WeakPolarHBondContact O-CB 3.49Å | ||
| 199 | T | 95.9 | Very high | 93.6 | Very high | 103 Ų | 103 | 65.5 Ų | 65.5 | 63% | 0.632 | 35% | 0.346 | S | S | * | . | trans | -101.7 | -14 | 178.3 | 54.7 | 0 | 0 | 0 | 0 | 112.9 | R112 R197 | R112-T199 WeakPolarHBondContact CB-O 3.25Å; R197-T199 PolarHBondContact O-N 3.07Å | ||
| 200 | K | 96.9 | Very high | 93.6 | Very high | 133 Ų | 133 | 62.3 Ų | 62.3 | 58% | 0.578 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -154.2 | 168.8 | 177.7 | 61.5 | 179.3 | -179.8 | 179.9 | 0 | 110.3 | L111 | L111-K200 HydrophobicContact CD2-CB 4.4Š|
| 201 | M | 97.6 | Very high | 93.6 | Very high | 12 Ų | 12 | 65 Ų | 65 | 6% | 0.059 | 33% | 0.325 | C | S | . | . | trans | -49.4 | 136.9 | 171.5 | -71.7 | -167.9 | -69.3 | 0 | 0 | 112 | F61 Q115 L119 I169 D205 I206 | F61-M201 HydrophobicContact CD1-CE 3.76Å; F61-M201 HydrophobicContact CD1-SD 4.01Å; F61-M201 HydrophobicContact CD2-CE 4.31Å; F61-M201 HydrophobicContact CE1-CE 3.69Å; F61-M201 HydrophobicContact CE1-SD 3.39Å; F61-M201 WeakPolarHBondContact CE1-SD 3.16Å; F61-M201 HydrophobicContact CE2-CE 4.25Å; F61-M201 HydrophobicContact CG-CE 4.06Å; F61-M201 HydrophobicContact CZ-CE 3.94Å; F61-M201 HydrophobicContact CZ-SD 3.7Å; Q115-M201 HydrophobicContact CB-CG 4.02Å; Q115-M201 HydrophobicContact CG-CE 4.44Å; Q115-M201 HydrophobicContact CG-CG 4.21Å; L119-M201 HydrophobicContact CD1-CG 4.01Å; L119-M201 HydrophobicContact CD1-SD 4Å; L119-M201 HydrophobicContact CD2-SD 4.17Å; L119-M201 HydrophobicContact CG-SD 4.19Å; I169-M201 HydrophobicContact CG2-CG 4.25Å; M201-D205 HydrophobicContact CB-CB 3.92Å; M201-D205 HydrophobicContact CG-CB 4.18Å; M201-D205 HydrophobicContact SD-CB 4.47Å; M201-I206 HydrophobicContact CB-CG1 4.17Å; M201-I206 HydrophobicContact CE-CG1 4.2Å; M201-I206 HydrophobicContact SD-CG1 4.44Å | ||
| 202 | S | 97.4 | Very high | 93.7 | Very high | 14 Ų | 14 | 62.2 Ų | 62.2 | 10% | 0.098 | 31% | 0.306 | C | S | . | . | trans | -76.1 | 169.3 | 170.8 | 80.6 | 0 | 0 | 0 | 0 | 111.5 | D165 N204 D205 I206 | D165-S202 WeakPolarHBondContact OD2-CB 3.38Å; D165-S202 PolarHBondContact OD2-OG 3.49Å; S202-N204 PolarHBondContact O-N 3.24Å; S202-N204 PolarHBondContact OG-N 2.81Å; S202-N204 VanDerWaalsContact OG-N 3.16Å; S202-D205 PolarHBondContact N-OD2 3.41Å; S202-D205 PolarHBondContact O-N 2.77Å; S202-D205 PolarHBondContact OG-N 3.02Å; S202-D205 PolarHBondContact OG-OD2 2.62Å; S202-I206 PolarHBondContact O-N 3.08Å; S202-I206 VanDerWaalsContact O-N 3.17Å | ||
| 203 | T | 96.4 | Very high | 93.9 | Very high | 111 Ų | 111 | 54 Ų | 54 | 68% | 0.681 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -59.2 | -34.3 | 170.8 | -56 | 0 | 0 | 0 | 0 | 111.6 | T207 | T203-T207 VanDerWaalsContact O-CB 3.26Å; T203-T207 WeakPolarHBondContact O-CB 3.47Å; T203-T207 PolarHBondContact O-N 3.36Å; T203-T207 PolarHBondContact O-OG1 2.89Å |
| 204 | N | 94.8 | Very high | 94 | Very high | 38 Ų | 38 | 51.7 Ų | 51.7 | 20% | 0.203 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -71.1 | -39.5 | 177.6 | -78.1 | -1 | 0 | 0 | 0 | 111.6 | D165 S202 I206 T207 R208 | D165-N204 HydrophobicContact CB-CB 4.16Å; D165-N204 WeakPolarHBondContact OD2-CB 3.34Å; S202-N204 PolarHBondContact O-N 3.24Å; S202-N204 PolarHBondContact OG-N 2.81Å; S202-N204 VanDerWaalsContact OG-N 3.16Å; N204-I206 PolarHBondContact O-N 3.38Å; N204-T207 PolarHBondContact O-N 2.78Å; N204-R208 WeakPolarHBondContact O-CB 3.34Å; N204-R208 WeakPolarHBondContact O-CD 3.45Å; N204-R208 WeakPolarHBondContact O-CG 3.49Å; N204-R208 PolarHBondContact O-N 3.28Å |
| 205 | D | 97.6 | Very high | 94.1 | Very high | 4 Ų | 4 | 49.2 Ų | 49.2 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -56.2 | -51.8 | 174.3 | -64.6 | -32.4 | 0 | 0 | 0 | 110.5 | L119 S168 I169 M201 S202 T207 R208 V209 | L119-D205 HydrophobicContact CD1-CB 4.33Å; S168-D205 WeakPolarHBondContact CB-OD1 3.38Å; S168-D205 PolarHBondContact OG-OD1 3.19Å; I169-D205 WeakPolarHBondContact CG2-OD2 3.45Å; I169-D205 PolarHBondContact N-OD2 3.19Å; M201-D205 HydrophobicContact CB-CB 3.92Å; M201-D205 HydrophobicContact CG-CB 4.18Å; M201-D205 HydrophobicContact SD-CB 4.47Å; S202-D205 PolarHBondContact N-OD2 3.41Å; S202-D205 PolarHBondContact O-N 2.77Å; S202-D205 PolarHBondContact OG-N 3.02Å; S202-D205 PolarHBondContact OG-OD2 2.62Å; D205-T207 PolarHBondContact O-N 3.43Å; D205-R208 PolarHBondContact O-N 3.09Å; D205-V209 WeakPolarHBondContact O-CG2 3.48Å; D205-V209 PolarHBondContact O-N 3.42Å |
| 206 | I | 97 | Very high | 93.4 | Very high | 38 Ų | 38 | 53.5 Ų | 53.5 | 20% | 0.195 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.7 | -46.4 | 178.2 | -64.9 | 166.3 | 0 | 0 | 0 | 111.1 | T64 T65 M201 S202 N204 R208 V209 N210 | T64-I206 HydrophobicContact CG2-CD1 4.13Å; T65-I206 HydrophobicContact CG2-CG2 4.32Å; M201-I206 HydrophobicContact CB-CG1 4.17Å; M201-I206 HydrophobicContact CE-CG1 4.2Å; M201-I206 HydrophobicContact SD-CG1 4.44Å; S202-I206 PolarHBondContact O-N 3.08Å; S202-I206 VanDerWaalsContact O-N 3.17Å; N204-I206 PolarHBondContact O-N 3.38Å; I206-R208 VanDerWaalsContact C-N 3.27Å; I206-R208 PolarHBondContact O-N 3.08Å; I206-V209 PolarHBondContact O-N 3.44Å; I206-N210 PolarHBondContact O-N 2.92Å; I206-N210 PolarHBondContact O-ND2 3.44Å |
| 207 | T | 94.2 | Very high | 92.3 | Very high | 38 Ų | 38 | 56.1 Ų | 56.1 | 23% | 0.233 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58.9 | -40.6 | 178.8 | -64.1 | 0 | 0 | 0 | 0 | 111.3 | T162 T203 N204 D205 N210 R211 | T162-T207 HydrophobicContact CG2-CG2 4.17Å; T203-T207 VanDerWaalsContact O-CB 3.26Å; T203-T207 WeakPolarHBondContact O-CB 3.47Å; T203-T207 PolarHBondContact O-N 3.36Å; T203-T207 PolarHBondContact O-OG1 2.89Å; N204-T207 PolarHBondContact O-N 2.78Å; D205-T207 PolarHBondContact O-N 3.43Å; T207-N210 PolarHBondContact O-N 2.77Å; T207-R211 HydrophobicContact CG2-CG 4.31Å; T207-R211 WeakPolarHBondContact O-CB 3.25Å; T207-R211 VanDerWaalsContact O-CG 3.3Å; T207-R211 WeakPolarHBondContact O-CG 3.39Å; T207-R211 PolarHBondContact O-N 3.17Å |
| 208 | R | 93.5 | Very high | 90.1 | Very high | 13 Ų | 13 | 53.8 Ų | 53.8 | 5% | 0.049 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -67.4 | -42.9 | 178.2 | -73 | 167 | -175.7 | 177.1 | -3.6 | 111.8 | F124 E127 L160 T162 P163 N204 D205 I206 N210 R211 L212 | F124-R208 HydrophobicContact CD1-CB 4.48Å; F124-R208 HydrophobicContact CE1-CB 3.67Å; F124-R208 HydrophobicContact CZ-CB 4.14Å; E127-R208 VanDerWaalsContact CD-NH1 3.34Å; E127-R208 IonicContact OE1-CZ 3.46Å; E127-R208 IonicContact OE1-NH1 3.96Å; E127-R208 PolarHBondContact OE1-NH1 2.84Å; E127-R208 IonicContact OE1-NH2 3.44Å; E127-R208 PolarHBondContact OE1-NH2 3.07Å; E127-R208 IonicContact OE2-CZ 2.61Å; E127-R208 VanDerWaalsContact OE2-CZ 3.31Å; E127-R208 IonicContact OE2-NH1 2.67Å; E127-R208 PolarHBondContact OE2-NH1 3.01Å; E127-R208 IonicContact OE2-NH2 3.81Å; E127-R208 PolarHBondContact OE2-NH2 3.01Å; L160-R208 HydrophobicContact CD1-CB 4.01Å; L160-R208 HydrophobicContact CD1-CG 4.32Å; L160-R208 WeakPolarHBondContact CD1-O 3.36Å; T162-R208 HydrophobicContact CG2-CG 3.78Å; T162-R208 PolarHBondContact OG1-NE 2.91Å; T162-R208 PolarHBondContact OG1-NH2 2.89Å; P163-R208 PolarHBondContact O-NH2 3.33Å; N204-R208 WeakPolarHBondContact O-CB 3.34Å; N204-R208 WeakPolarHBondContact O-CD 3.45Å; N204-R208 WeakPolarHBondContact O-CG 3.49Å; N204-R208 PolarHBondContact O-N 3.28Å; D205-R208 PolarHBondContact O-N 3.09Å; I206-R208 VanDerWaalsContact C-N 3.27Å; I206-R208 PolarHBondContact O-N 3.08Å; R208-N210 VanDerWaalsContact C-N 3.31Å; R208-N210 PolarHBondContact O-N 3.36Å; R208-R211 PolarHBondContact O-N 2.76Å; R208-L212 WeakPolarHBondContact O-CB 3.28Å; R208-L212 PolarHBondContact O-N 2.86Å |
| 209 | V | 95.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -57.1 | -48.8 | 172.4 | -178.4 | 0 | 0 | 0 | 0 | 110.2 | T65 I67 L119 L122 F124 D205 I206 R211 L212 Y213 | T65-V209 HydrophobicContact CG2-CB 4Å; T65-V209 HydrophobicContact CG2-CG1 3.78Å; I67-V209 HydrophobicContact CD1-CG1 4.24Å; I67-V209 HydrophobicContact CG1-CG1 3.81Å; L119-V209 HydrophobicContact CD2-CG2 3.45Å; L119-V209 VanDerWaalsContact CD2-CG2 3.45Å; L122-V209 HydrophobicContact CD1-CG1 4.34Å; F124-V209 HydrophobicContact CD2-CG2 4.44Å; F124-V209 HydrophobicContact CE2-CB 4.36Å; F124-V209 HydrophobicContact CE2-CG2 3.66Å; F124-V209 HydrophobicContact CZ-CB 4.43Å; F124-V209 HydrophobicContact CZ-CG2 4.03Å; D205-V209 WeakPolarHBondContact O-CG2 3.48Å; D205-V209 PolarHBondContact O-N 3.42Å; I206-V209 PolarHBondContact O-N 3.44Å; V209-R211 PolarHBondContact O-N 3.14Å; V209-L212 PolarHBondContact O-N 3.24Å; V209-Y213 HydrophobicContact CG1-CD2 4.1Å; V209-Y213 PolarHBondContact O-N 2.86Å |
| 210 | N | 94.8 | Very high | 84.3 | Confident | 42 Ų | 42 | 55.9 Ų | 55.9 | 23% | 0.225 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.3 | -42.9 | -178.4 | -75.4 | -30.9 | 0 | 0 | 0 | 112.9 | T64 T65 I206 T207 R208 G214 C215 | T64-N210 PolarHBondContact O-ND2 3.22Å; T65-N210 WeakPolarHBondContact CA-OD1 3.49Å; T65-N210 VanDerWaalsContact CB-OD1 3.25Å; T65-N210 WeakPolarHBondContact CB-OD1 3.48Å; I206-N210 PolarHBondContact O-N 2.92Å; I206-N210 PolarHBondContact O-ND2 3.44Å; T207-N210 PolarHBondContact O-N 2.77Å; R208-N210 VanDerWaalsContact C-N 3.31Å; R208-N210 PolarHBondContact O-N 3.36Å; N210-G214 CarbonylContact O-C 3.16Å; N210-G214 WeakPolarHBondContact O-CA 3.42Å; N210-G214 PolarHBondContact O-N 3.19Å; N210-C215 HydrophobicContact CB-CB 4.02Å; N210-C215 PolarHBondContact O-N 3.4Å; N210-C215 VanDerWaalsContact OD1-CB 3.26Å; N210-C215 WeakPolarHBondContact OD1-CB 3.43Å; N210-C215 PolarHBondContact OD1-SG 3.26Å |
| 211 | R | 92.1 | Very high | 81.7 | Confident | 130 Ų | 130 | 55.9 Ų | 55.9 | 49% | 0.491 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65.7 | -44.3 | 175.3 | -73 | 177.7 | -177.6 | 177.6 | 1.9 | 111.6 | L160 G161 T162 T207 R208 V209 Y213 G214 | L160-R211 HydrophobicContact CB-CB 4.4Å; L160-R211 VanDerWaalsContact O-CD 3.22Å; L160-R211 WeakPolarHBondContact O-CD 3.43Å; L160-R211 PolarHBondContact O-NH1 3.05Å; G161-R211 PolarHBondContact O-NH1 3.06Å; T162-R211 VanDerWaalsContact CG2-NH1 3.32Å; T207-R211 HydrophobicContact CG2-CG 4.31Å; T207-R211 WeakPolarHBondContact O-CB 3.25Å; T207-R211 VanDerWaalsContact O-CG 3.3Å; T207-R211 WeakPolarHBondContact O-CG 3.39Å; T207-R211 PolarHBondContact O-N 3.17Å; R208-R211 PolarHBondContact O-N 2.76Å; V209-R211 PolarHBondContact O-N 3.14Å; R211-Y213 PolarHBondContact O-N 3.47Å; R211-G214 PolarHBondContact O-N 3.16Å |
| 212 | L | 90.9 | Very high | 79.3 | Confident | 25 Ų | 25 | 61 Ų | 61 | 13% | 0.131 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -62.2 | -44.6 | -177.1 | -169.9 | 61.9 | 0 | 0 | 0 | 112.5 | V23 L28 F124 L160 R208 V209 G214 | V23-L212 HydrophobicContact CB-CD1 4.49Å; V23-L212 HydrophobicContact CG1-CD1 3.2Å; V23-L212 HydrophobicContact CG1-CD2 4.3Å; V23-L212 HydrophobicContact CG1-CG 4.1Å; L28-L212 HydrophobicContact CD2-CD1 4.39Å; L28-L212 HydrophobicContact CD2-CD2 3.78Å; L28-L212 HydrophobicContact CD2-CG 3.91Å; F124-L212 HydrophobicContact CE1-CD2 3.93Å; F124-L212 HydrophobicContact CE2-CD2 3.79Å; F124-L212 HydrophobicContact CZ-CB 3.96Å; F124-L212 HydrophobicContact CZ-CD2 3.37Å; F124-L212 HydrophobicContact CZ-CG 4.29Å; L160-L212 HydrophobicContact CD1-CB 3.88Å; L160-L212 HydrophobicContact CD1-CD1 4.08Å; L160-L212 HydrophobicContact CD2-CD1 4.1Å; R208-L212 WeakPolarHBondContact O-CB 3.28Å; R208-L212 PolarHBondContact O-N 2.86Å; V209-L212 PolarHBondContact O-N 3.24Å; L212-G214 VanDerWaalsContact C-N 3.31Å |
| 213 | Y | 92.6 | Very high | 76.5 | Confident | 12 Ų | 12 | 67.3 Ų | 67.3 | 5% | 0.047 | 41% | 0.413 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 8.2 | 179.9 | -72.4 | -80.6 | 0 | 0 | 0 | 112.9 | L28 W29 K31 V36 I67 L122 V209 R211 C215 | L28-Y213 HydrophobicContact CB-CE1 4.14Å; L28-Y213 HydrophobicContact CD2-CE1 4.05Å; L28-Y213 HydrophobicContact CD2-CE2 4.35Å; W29-Y213 HydrophobicContact CB-CE1 4.02Å; W29-Y213 PolarHBondContact N-OH 2.85Å; W29-Y213 WeakPolarHBondContact O-CE1 3.36Å; K31-Y213 WeakPolarHBondContact CD-O 3.49Å; K31-Y213 WeakPolarHBondContact CE-O 3.41Å; K31-Y213 PolarHBondContact NZ-O 3.32Å; V36-Y213 HydrophobicContact CB-CD1 4.24Å; V36-Y213 HydrophobicContact CG1-CD1 3.9Å; V36-Y213 HydrophobicContact CG1-CE1 3.86Å; V36-Y213 HydrophobicContact CG2-CD1 3.45Å; V36-Y213 VanDerWaalsContact CG2-CD1 3.45Å; V36-Y213 HydrophobicContact CG2-CE1 4.27Å; V36-Y213 HydrophobicContact CG2-CG 3.92Å; I67-Y213 HydrophobicContact CD1-CD1 4.24Å; I67-Y213 HydrophobicContact CD1-CD2 3.81Å; I67-Y213 HydrophobicContact CD1-CE1 4.48Å; I67-Y213 HydrophobicContact CD1-CE2 4.11Å; I67-Y213 HydrophobicContact CD1-CG 3.87Å; L122-Y213 HydrophobicContact CB-CE2 4.19Å; L122-Y213 HydrophobicContact CD2-CE2 4.19Å; L122-Y213 WeakPolarHBondContact O-CE2 3.17Å; L122-Y213 PolarHBondContact O-OH 3.16Å; V209-Y213 HydrophobicContact CG1-CD2 4.1Å; V209-Y213 PolarHBondContact O-N 2.86Å; R211-Y213 PolarHBondContact O-N 3.47Å; Y213-C215 PolarHBondContact O-N 3.43Å; Y213-C215 VanDerWaalsContact O-N 3.15Å |
| 214 | G | 92.2 | Very high | 73.8 | Confident | 41 Ų | 41 | 66 Ų | 66 | 42% | 0.423 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 37.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | K31 N210 R211 L212 C216 | K31-G214 PolarHBondContact NZ-O 3.09Å; N210-G214 CarbonylContact O-C 3.16Å; N210-G214 WeakPolarHBondContact O-CA 3.42Å; N210-G214 PolarHBondContact O-N 3.19Å; R211-G214 PolarHBondContact O-N 3.16Å; L212-G214 VanDerWaalsContact C-N 3.31Å; G214-C216 PolarHBondContact O-N 3.35Å |
| 215 | C | 91.7 | Very high | 71.3 | Confident | 25 Ų | 25 | 74.3 Ų | 74.3 | 17% | 0.169 | 45% | 0.45 | C | S | . | . | trans | -56.9 | 104.8 | 179.8 | -60.6 | 0 | 0 | 0 | 0 | 108.3 | C66 N210 Y213 | C66-C215 HydrophobicContact CB-CB 3.57Å; C66-C215 WeakPolarHBondContact CB-SG 3.37Å; C66-C215 PolarHBondContact N-SG 3.47Å; C66-C215 WeakPolarHBondContact SG-CA 3.21Å; C66-C215 WeakPolarHBondContact SG-CB 3.45Å; C66-C215 CovalentContact SG-SG 2.04Å; C66-C215 PolarHBondContact SG-SG 3.18Å; N210-C215 HydrophobicContact CB-CB 4.02Å; N210-C215 PolarHBondContact O-N 3.4Å; N210-C215 VanDerWaalsContact OD1-CB 3.26Å; N210-C215 WeakPolarHBondContact OD1-CB 3.43Å; N210-C215 PolarHBondContact OD1-SG 3.26Å; Y213-C215 PolarHBondContact O-N 3.43Å; Y213-C215 VanDerWaalsContact O-N 3.15Å | ||
| 216 | C | 79.8 | Confident | 68.5 | Low | 108 Ų | 108 | 84.1 Ų | 84.1 | 73% | 0.73 | 49% | 0.493 | S | S | * | . | trans | -75.4 | 151.3 | 178.9 | 179.5 | 0 | 0 | 0 | 0 | 108.9 | G214 T218 | G214-C216 PolarHBondContact O-N 3.35Å; C216-T218 PolarHBondContact O-N 3.06Å | ||
| 217 | C | 63.8 | Low | 65.8 | Low | 86 Ų | 86 | 90.8 Ų | 90.8 | 58% | 0.581 | 53% | 0.528 | S | S | * | . | trans | -45.8 | 128.4 | -179.8 | -45.5 | 0 | 0 | 0 | 0 | 111.3 | A219 | C217-A219 PolarHBondContact O-N 2.89Š| ||
| 218 | T | 44.8 | Very low | 63.1 | Low | 137 Ų | 137 | 94.1 Ų | 94.1 | 84% | 0.84 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -47.7 | 124.2 | 135.9 | 45.9 | 0 | 0 | 0 | 0 | 105.7 | C216 S220 | C216-T218 PolarHBondContact O-N 3.06Å; T218-S220 PolarHBondContact O-N 3.15Å |
| 219 | A | 35.7 | Very low | 60.6 | Low | 93 Ų | 93 | 102.6 Ų | 102.6 | 77% | 0.769 | 59% | 0.593 | S | S | * | * | trans | -26.5 | 114.9 | -177 | 0 | 0 | 0 | 0 | 0 | 111.6 | C217 P221 | C217-A219 PolarHBondContact O-N 2.89Å; A219-P221 WeakPolarHBondContact O-CD 3.34Å | ||
| 220 | S | 32 | Very low | 58.1 | Low | 73 Ų | 73 | 110.5 Ų | 110.5 | 51% | 0.51 | 64% | 0.635 | S | S | . | * | trans | -56.5 | 128.6 | 168.6 | -62.8 | 0 | 0 | 0 | 0 | 107.2 | T218 V222 | T218-S220 PolarHBondContact O-N 3.15Å; S220-V222 PolarHBondContact O-N 2.71Å | ||
| 221 | P | 41.7 | Very low | 55.6 | Low | 133 Ų | 133 | 117.9 Ų | 117.9 | 86% | 0.864 | 67% | 0.667 | S | S | * | * | trans | -75.5 | 72.6 | 160.2 | 30.8 | -27.2 | 0 | 0 | 0 | 106.9 | A219 | A219-P221 WeakPolarHBondContact O-CD 3.34Š| ||
| 222 | V | 47.5 | Very low | 53 | Low | 120 Ų | 120 | 116.1 Ų | 116.1 | 73% | 0.727 | 68% | 0.68 | S | S | * | * | trans | -117.1 | 68.2 | 158.3 | -117.1 | 0 | 0 | 0 | 0 | 106.5 | S220 | S220-V222 PolarHBondContact O-N 2.71Š| ||
| 223 | D | 37.5 | Very low | 50.7 | Low | 146 Ų | 146 | 125.5 Ų | 125.5 | 78% | 0.781 | 74% | 0.739 | S | S | * | * | trans | -149 | 104.9 | 130.7 | -110.8 | -23.4 | 0 | 0 | 0 | 107 | R225 | D223-R225 PolarHBondContact O-N 2.8Š| ||
| 224 | G | 39.8 | Very low | 48.6 | Very low | 84 Ų | 84 | 131.2 Ų | 131.2 | 87% | 0.866 | 77% | 0.773 | S | S | * | * | trans | -68.8 | 68.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 225 | R | 42.8 | Very low | 46.3 | Very low | 213 Ų | 213 | 135.9 Ų | 135.9 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | -145.1 | 58.9 | 170.5 | -68.7 | -170.7 | -170.3 | -119.1 | 1 | 111.7 | D223 | D223-R225 PolarHBondContact O-N 2.8Š| ||
| 226 | F | 38.8 | Very low | 43.8 | Very low | 210 Ų | 210 | 142.1 Ų | 142.1 | 92% | 0.921 | 83% | 0.826 | S | S | * | * | trans | -150.4 | 64.1 | 155.9 | -96.4 | -76.3 | 0 | 0 | 0 | 109.8 | ||||
| 227 | L | 40.4 | Very low | 41.7 | Very low | 178 Ų | 178 | 144.1 Ų | 144.1 | 93% | 0.932 | 83% | 0.832 | S | S | * | * | trans | -139.9 | 78.1 | 158.8 | -80.1 | 178.8 | 0 | 0 | 0 | 108.6 | ||||
| 228 | S | 38 | Very low | 40.3 | Very low | 107 Ų | 107 | 147.7 Ų | 147.7 | 75% | 0.748 | 85% | 0.848 | S | S | * | * | trans | -177.7 | 96.7 | 150.7 | 56.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 229 | Q | 41.2 | Very low | 40 | Very low | 191 Ų | 191 | 148.4 Ų | 148.4 | 89% | 0.893 | 85% | 0.848 | S | S | * | * | trans | 168.3 | 84.2 | 141.5 | -93.8 | 169.8 | 22.3 | 0 | 0 | 108.8 | ||||
| 230 | L | 42.4 | Very low | 40.3 | Very low | 167 Ų | 167 | 152.4 Ų | 152.4 | 87% | 0.874 | 85% | 0.854 | S | S | * | * | S | Bend | trans | -156.4 | 67.7 | 154 | -105.9 | 159.6 | 0 | 0 | 0 | 105.5 | ||
| 231 | H | 41.9 | Very low | 41 | Very low | 197 Ų | 197 | 158.5 Ų | 158.5 | 91% | 0.912 | 88% | 0.88 | S | S | * | * | S | Bend | trans | -176.3 | 80.2 | 159.2 | -90.2 | -66.6 | 0 | 0 | 0 | 107.3 | ||
| 232 | A | 38.3 | Very low | 40.9 | Very low | 93 Ų | 93 | 160.6 Ų | 160.6 | 77% | 0.769 | 88% | 0.882 | S | S | * | * | trans | 176 | 96.4 | 151.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 233 | T | 42 | Very low | 40.3 | Very low | 221 Ų | 221 | 164.3 Ų | 164.3 | 100% | 1.356 | 90% | 0.896 | S | S | * | * | trans | 145.4 | 0 | 138 | 54.2 | 0 | 0 | 0 | 0 | 109.4 |
Retrieved 233 of 233 residues in 71.5 ms
(Link to these results)