| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 34.2 | Very low | 72.2 | Confident | 216 Ų | 216 | 97.5 Ų | 97.5 | 100% | 1.064 | 53% | 0.529 | S | S | * | . | 0 | 112.1 | 0 | -67.9 | -178.5 | -151.2 | 0 | 0 | 108.1 | Y3 | M1-Y3 HydrophobicContact CB-CD2 4Å; M1-Y3 HydrophobicContact CB-CE2 4.43Å; M1-Y3 HydrophobicContact CG-CD2 4.29Å; M1-Y3 HydrophobicContact CG-CE2 4.26Å; M1-Y3 HydrophobicContact SD-CD2 4.18Å; M1-Y3 HydrophobicContact SD-CE2 4.08Å | |||
| 2 | V | 44.5 | Very low | 73.2 | Confident | 117 Ų | 117 | 90.1 Ų | 90.1 | 71% | 0.709 | 49% | 0.49 | S | S | * | . | trans | -106.3 | 71.5 | 162 | -171.5 | 0 | 0 | 0 | 0 | 105.8 | A4 T112 | V2-A4 PolarHBondContact O-N 3.28Å; V2-T112 HydrophobicContact CB-CG2 4.47Å | ||
| 3 | Y | 55.8 | Low | 73.8 | Confident | 180 Ų | 180 | 98.3 Ų | 98.3 | 71% | 0.706 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -67.7 | 123.3 | 165 | -85.4 | -78.9 | 0 | 0 | 0 | 106.1 | M1 P5 | M1-Y3 HydrophobicContact CB-CD2 4Å; M1-Y3 HydrophobicContact CB-CE2 4.43Å; M1-Y3 HydrophobicContact CG-CD2 4.29Å; M1-Y3 HydrophobicContact CG-CE2 4.26Å; M1-Y3 HydrophobicContact SD-CD2 4.18Å; M1-Y3 HydrophobicContact SD-CE2 4.08Å; Y3-P5 VanDerWaalsContact O-CD 3.3Å; Y3-P5 WeakPolarHBondContact O-CD 3.47Å |
| 4 | A | 68.9 | Low | 74.2 | Confident | 36 Ų | 36 | 97.9 Ų | 97.9 | 30% | 0.298 | 53% | 0.532 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 122 | 167.6 | 0 | 0 | 0 | 0 | 0 | 106.4 | V2 S6 R15 | V2-A4 PolarHBondContact O-N 3.28Å; A4-S6 PolarHBondContact O-N 3.33Å; A4-R15 HydrophobicContact CB-CB 4.47Å |
| 5 | P | 77.5 | Confident | 74.4 | Confident | 31 Ų | 31 | 103.3 Ų | 103.3 | 20% | 0.201 | 54% | 0.542 | C | S | . | . | P | Polyproline II helix | trans | -50.2 | 131.5 | -177.2 | 9.8 | -25.2 | 0 | 0 | 0 | 111.7 | Y3 A10 C12 R15 C16 A17 C27 | Y3-P5 VanDerWaalsContact O-CD 3.3Å; Y3-P5 WeakPolarHBondContact O-CD 3.47Å; P5-A10 HydrophobicContact CB-CB 3.5Å; P5-A10 VanDerWaalsContact CB-CB 3.5Å; P5-C12 HydrophobicContact CG-CB 3.79Å; P5-R15 WeakPolarHBondContact CD-O 3.32Å; P5-C16 WeakPolarHBondContact O-CA 3.06Å; P5-A17 PolarHBondContact O-N 2.92Å; P5-C27 VanDerWaalsContact CB-SG 3.6Å; P5-C27 WeakPolarHBondContact CG-SG 3.47Å |
| 6 | S | 81.5 | Confident | 74.8 | Confident | 92 Ų | 92 | 97.6 Ų | 97.6 | 64% | 0.643 | 51% | 0.513 | S | S | * | . | trans | -108 | 3.8 | -174.3 | 55.2 | 0 | 0 | 0 | 0 | 113.8 | A4 L20 | A4-S6 PolarHBondContact O-N 3.33Å; S6-L20 VanDerWaalsContact C-CD1 3.48Å | ||
| 7 | E | 84 | Confident | 75.1 | Confident | 140 Ų | 140 | 93.5 Ų | 93.5 | 65% | 0.654 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -107.1 | 144.6 | 179.1 | -64.8 | 179.2 | -173.9 | 0 | 0 | 110.6 | N9 A10 C27 | E7-N9 PolarHBondContact O-N 3.39Å; E7-A10 HydrophobicContact CB-CB 4.18Å; E7-A10 WeakPolarHBondContact O-CB 3.27Å; E7-A10 PolarHBondContact O-N 2.91Å; E7-C27 WeakPolarHBondContact O-CB 3.06Å |
| 8 | I | 85.2 | Confident | 75 | Confident | 24 Ų | 24 | 92 Ų | 92 | 12% | 0.123 | 49% | 0.492 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | 135.3 | 172.3 | -61 | 174.5 | 0 | 0 | 0 | 108.6 | A10 L20 R34 N37 | I8-A10 PolarHBondContact O-N 3.38Å; I8-L20 HydrophobicContact CG1-CD2 3.99Å; I8-R34 HydrophobicContact CD1-CG 3.92Å; I8-N37 WeakPolarHBondContact CD1-O 3.43Å; I8-N37 WeakPolarHBondContact CG1-O 3.06Å |
| 9 | N | 87.9 | Confident | 75.1 | Confident | 94 Ų | 94 | 88.2 Ų | 88.2 | 50% | 0.503 | 47% | 0.473 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.7 | 4.5 | -176.7 | -56.1 | -31.1 | 0 | 0 | 0 | 116.2 | E7 H26 C27 | E7-N9 PolarHBondContact O-N 3.39Å; N9-H26 PolarHBondContact O-ND1 3.24Å; N9-C27 PolarHBondContact N-O 2.88Å |
| 10 | A | 87.3 | Confident | 75.6 | Confident | 25 Ų | 25 | 84.2 Ų | 84.2 | 21% | 0.207 | 45% | 0.451 | C | S | . | . | trans | -60.3 | 142.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | P5 E7 I8 C12 H26 C27 | P5-A10 HydrophobicContact CB-CB 3.5Å; P5-A10 VanDerWaalsContact CB-CB 3.5Å; E7-A10 HydrophobicContact CB-CB 4.18Å; E7-A10 WeakPolarHBondContact O-CB 3.27Å; E7-A10 PolarHBondContact O-N 2.91Å; I8-A10 PolarHBondContact O-N 3.38Å; A10-C12 PolarHBondContact O-N 3.12Å; A10-H26 WeakPolarHBondContact O-CA 3.43Å; A10-C27 PolarHBondContact O-N 2.97Å | ||
| 11 | V | 87.7 | Confident | 76.1 | Confident | 117 Ų | 117 | 81.8 Ų | 81.8 | 71% | 0.709 | 44% | 0.44 | S | S | * | . | B | Isolated β-bridge | trans | -68.4 | 128.9 | -179.8 | -179 | 0 | 0 | 0 | 0 | 109.3 | G25 | V11-G25 CarbonylContact C-O 3.57Å; V11-G25 WeakPolarHBondContact CA-O 3.48Å |
| 12 | C | 83.8 | Confident | 78.6 | Confident | 9 Ų | 9 | 73.3 Ų | 73.3 | 6% | 0.061 | 40% | 0.402 | C | S | . | . | trans | -130.2 | 143.3 | -179.1 | 62.5 | 0 | 0 | 0 | 0 | 110.7 | P5 A10 R15 C16 C22 G25 H26 | P5-C12 HydrophobicContact CG-CB 3.79Å; A10-C12 PolarHBondContact O-N 3.12Å; C12-R15 WeakPolarHBondContact CB-O 3.42Å; C12-C16 VanDerWaalsContact SG-SG 3.66Å; C12-C22 VanDerWaalsContact C-SG 3.58Å; C12-C22 HydrophobicContact CB-CB 3.86Å; C12-C22 WeakPolarHBondContact CB-SG 3.2Å; C12-C22 PolarHBondContact O-SG 2.89Å; C12-C22 WeakPolarHBondContact SG-CA 3.25Å; C12-C22 WeakPolarHBondContact SG-CB 3.28Å; C12-C22 CovalentContact SG-SG 2.03Å; C12-C22 PolarHBondContact SG-SG 3.04Å; C12-G25 PolarHBondContact N-O 2.93Å; C12-G25 CarbonylContact O-C 3.54Å; C12-G25 WeakPolarHBondContact O-CA 3.31Å; C12-H26 VanDerWaalsContact SG-CA 3.56Å; C12-H26 PolarHBondContact SG-N 2.84Å | ||
| 13 | Q | 81.2 | Confident | 80.7 | Confident | 197 Ų | 197 | 69.9 Ų | 69.9 | 92% | 0.921 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -87.8 | -40.4 | 174 | -73.3 | -179.1 | -22.9 | 0 | 0 | 112.2 | ||
| 14 | S | 78.7 | Confident | 82.3 | Confident | 93 Ų | 93 | 68.9 Ų | 68.9 | 65% | 0.65 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -153.6 | -14.3 | -178.9 | 57.9 | 0 | 0 | 0 | 0 | 114.9 | ||
| 15 | R | 77.3 | Confident | 83.2 | Confident | 179 Ų | 179 | 68.7 Ų | 68.7 | 68% | 0.675 | 39% | 0.391 | S | S | * | . | trans | -145.8 | 151.3 | -172.6 | -61.1 | -175.9 | -174.9 | -163.3 | -0.8 | 111.7 | A4 P5 C12 | A4-R15 HydrophobicContact CB-CB 4.47Å; P5-R15 WeakPolarHBondContact CD-O 3.32Å; C12-R15 WeakPolarHBondContact CB-O 3.42Å | ||
| 16 | C | 82 | Confident | 83.9 | Confident | 12 Ų | 12 | 71.1 Ų | 71.1 | 8% | 0.081 | 40% | 0.4 | C | S | . | . | trans | -131.8 | 163.1 | 170.1 | -58 | 0 | 0 | 0 | 0 | 109.1 | P5 C12 L20 C27 | P5-C16 WeakPolarHBondContact O-CA 3.06Å; C12-C16 VanDerWaalsContact SG-SG 3.66Å; C16-L20 HydrophobicContact CB-CB 3.43Å; C16-L20 VanDerWaalsContact CB-CB 3.43Å; C16-C27 HydrophobicContact CB-CB 3.81Å; C16-C27 WeakPolarHBondContact CB-SG 3.01Å; C16-C27 WeakPolarHBondContact SG-CA 3.38Å; C16-C27 WeakPolarHBondContact SG-CB 3.38Å; C16-C27 CovalentContact SG-SG 2.03Å; C16-C27 PolarHBondContact SG-SG 3.43Å | ||
| 17 | A | 78.8 | Confident | 84.3 | Confident | 27 Ų | 27 | 66.8 Ų | 66.8 | 22% | 0.223 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -70.9 | 129.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | P5 L20 | P5-A17 PolarHBondContact O-N 2.92Å; A17-L20 WeakPolarHBondContact O-CB 3.46Å; A17-L20 PolarHBondContact O-N 2.03Å |
| 18 | P | 73.3 | Confident | 84.6 | Confident | 67 Ų | 67 | 63.2 Ų | 63.2 | 44% | 0.435 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | 144.3 | 176.6 | -23.5 | 31.9 | 0 | 0 | 0 | 111.7 | L20 G51 | P18-L20 VanDerWaalsContact C-N 3.33Å; P18-G51 WeakPolarHBondContact CB-O 3.47Å |
| 19 | P | 77.9 | Confident | 84.7 | Confident | 20 Ų | 20 | 63.8 Ų | 63.8 | 13% | 0.13 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -85.3 | 15.9 | 7.9 | 35.8 | -38.5 | 0 | 0 | 0 | 114.9 | W30 A32 C39 V41 L49 | P19-W30 WeakPolarHBondContact O-CB 3.35Å; P19-W30 PolarHBondContact O-N 3.11Å; P19-W30 VanDerWaalsContact O-N 3.11Å; P19-A32 HydrophobicContact CB-CB 4.15Å; P19-A32 HydrophobicContact CG-CB 4.11Å; P19-C39 HydrophobicContact CG-CB 3.48Å; P19-C39 VanDerWaalsContact CG-CB 3.48Å; P19-V41 HydrophobicContact CB-CG2 3.7Å; P19-V41 HydrophobicContact CG-CG2 4.16Å; P19-L49 HydrophobicContact CB-CD2 3.71Å; P19-L49 HydrophobicContact CG-CD2 4.27Å |
| 20 | L | 85.3 | Confident | 84.5 | Confident | 7 Ų | 7 | 65.5 Ų | 65.5 | 4% | 0.037 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 143.6 | 179.5 | -59.9 | 160 | 0 | 0 | 0 | 111.3 | S6 I8 C16 A17 P18 C27 I28 C39 | S6-L20 VanDerWaalsContact C-CD1 3.48Å; I8-L20 HydrophobicContact CG1-CD2 3.99Å; C16-L20 HydrophobicContact CB-CB 3.43Å; C16-L20 VanDerWaalsContact CB-CB 3.43Å; A17-L20 WeakPolarHBondContact O-CB 3.46Å; A17-L20 PolarHBondContact O-N 2.03Å; P18-L20 VanDerWaalsContact C-N 3.33Å; L20-C27 HydrophobicContact CB-CB 4.1Å; L20-C27 HydrophobicContact CD1-CB 4.05Å; L20-C27 HydrophobicContact CD2-CB 4.22Å; L20-C27 HydrophobicContact CG-CB 4.37Å; L20-I28 CarbonylContact C-O 3.57Å; L20-I28 VanDerWaalsContact CA-O 3.25Å; L20-I28 WeakPolarHBondContact CA-O 3.13Å; L20-C39 WeakPolarHBondContact CD2-SG 3.02Å |
| 21 | V | 85.6 | Confident | 84.2 | Confident | 34 Ų | 34 | 70.8 Ų | 70.8 | 21% | 0.206 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 147.2 | 167.6 | -63.2 | 0 | 0 | 0 | 0 | 110.2 | S23 C27 I28 W30 | V21-S23 PolarHBondContact O-N 3.03Å; V21-C27 WeakPolarHBondContact O-CA 3.04Å; V21-I28 HydrophobicContact CG2-CD1 4.32Å; V21-I28 HydrophobicContact CG2-CG1 3.77Å; V21-I28 PolarHBondContact N-O 2.85Å; V21-I28 PolarHBondContact O-N 3.25Å; V21-W30 HydrophobicContact CB-CB 4.24Å; V21-W30 HydrophobicContact CG1-CB 3.53Å; V21-W30 HydrophobicContact CG1-CD2 4.1Å; V21-W30 HydrophobicContact CG1-CE3 4.4Å; V21-W30 HydrophobicContact CG1-CG 3.75Å; V21-W30 HydrophobicContact CG2-CB 3.81Å; V21-W30 HydrophobicContact CG2-CD2 4.2Å; V21-W30 HydrophobicContact CG2-CE3 3.71Å; V21-W30 HydrophobicContact CG2-CG 4.29Å |
| 22 | C | 85.6 | Confident | 83.9 | Confident | 39 Ų | 39 | 66.3 Ų | 66.3 | 26% | 0.264 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 114.4 | 174.7 | -170.2 | 0 | 0 | 0 | 0 | 109.1 | C12 | C12-C22 VanDerWaalsContact C-SG 3.58Å; C12-C22 HydrophobicContact CB-CB 3.86Å; C12-C22 WeakPolarHBondContact CB-SG 3.2Å; C12-C22 PolarHBondContact O-SG 2.89Å; C12-C22 WeakPolarHBondContact SG-CA 3.25Å; C12-C22 WeakPolarHBondContact SG-CB 3.28Å; C12-C22 CovalentContact SG-SG 2.03Å; C12-C22 PolarHBondContact SG-SG 3.04Å |
| 23 | S | 90.4 | Very high | 83.8 | Confident | 45 Ų | 45 | 72.5 Ų | 72.5 | 32% | 0.315 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 126.7 | 178.2 | -173.2 | 0 | 0 | 0 | 0 | 108.9 | V21 G25 H26 I28 | V21-S23 PolarHBondContact O-N 3.03Å; S23-G25 PolarHBondContact O-N 3.31Å; S23-H26 PolarHBondContact N-O 2.03Å; S23-H26 PolarHBondContact O-N 3.29Å; S23-I28 VanDerWaalsContact CB-CD1 3.44Å |
| 24 | N | 88.7 | Confident | 84 | Confident | 159 Ų | 159 | 70.4 Ų | 70.4 | 85% | 0.85 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 38.2 | -177.1 | -61.5 | -24.3 | 0 | 0 | 0 | 113.9 | H26 | N24-H26 VanDerWaalsContact C-N 3.27Å; N24-H26 PolarHBondContact O-CD2 3.5Å; N24-H26 PolarHBondContact O-N 2.92Å |
| 25 | G | 88.6 | Confident | 84.2 | Confident | 31 Ų | 31 | 68.4 Ų | 68.4 | 32% | 0.32 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | 6.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | V11 C12 S23 | V11-G25 CarbonylContact C-O 3.57Å; V11-G25 WeakPolarHBondContact CA-O 3.48Å; C12-G25 PolarHBondContact N-O 2.93Å; C12-G25 CarbonylContact O-C 3.54Å; C12-G25 WeakPolarHBondContact O-CA 3.31Å; S23-G25 PolarHBondContact O-N 3.31Å |
| 26 | H | 91.7 | Very high | 84.5 | Confident | 83 Ų | 83 | 62.5 Ų | 62.5 | 38% | 0.384 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 149.6 | 177.7 | -69.1 | -85.9 | 0 | 0 | 0 | 113 | N9 A10 C12 S23 N24 | N9-H26 PolarHBondContact O-ND1 3.24Å; A10-H26 WeakPolarHBondContact O-CA 3.43Å; C12-H26 VanDerWaalsContact SG-CA 3.56Å; C12-H26 PolarHBondContact SG-N 2.84Å; S23-H26 PolarHBondContact N-O 2.03Å; S23-H26 PolarHBondContact O-N 3.29Å; N24-H26 VanDerWaalsContact C-N 3.27Å; N24-H26 PolarHBondContact O-CD2 3.5Å; N24-H26 PolarHBondContact O-N 2.92Å |
| 27 | C | 90.1 | Very high | 84.5 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 121.5 | 175.6 | -63.5 | 0 | 0 | 0 | 0 | 112.3 | P5 E7 N9 A10 C16 L20 V21 | P5-C27 VanDerWaalsContact CB-SG 3.6Å; P5-C27 WeakPolarHBondContact CG-SG 3.47Å; E7-C27 WeakPolarHBondContact O-CB 3.06Å; N9-C27 PolarHBondContact N-O 2.88Å; A10-C27 PolarHBondContact O-N 2.97Å; C16-C27 HydrophobicContact CB-CB 3.81Å; C16-C27 WeakPolarHBondContact CB-SG 3.01Å; C16-C27 WeakPolarHBondContact SG-CA 3.38Å; C16-C27 WeakPolarHBondContact SG-CB 3.38Å; C16-C27 CovalentContact SG-SG 2.03Å; C16-C27 PolarHBondContact SG-SG 3.43Å; L20-C27 HydrophobicContact CB-CB 4.1Å; L20-C27 HydrophobicContact CD1-CB 4.05Å; L20-C27 HydrophobicContact CD2-CB 4.22Å; L20-C27 HydrophobicContact CG-CB 4.37Å; V21-C27 WeakPolarHBondContact O-CA 3.04Å |
| 28 | I | 89.5 | Confident | 84.6 | Confident | 65 Ų | 65 | 71.2 Ų | 71.2 | 33% | 0.333 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 151.7 | 176.9 | 64.2 | 168.4 | 0 | 0 | 0 | 111.1 | L20 V21 S23 W30 | L20-I28 CarbonylContact C-O 3.57Å; L20-I28 VanDerWaalsContact CA-O 3.25Å; L20-I28 WeakPolarHBondContact CA-O 3.13Å; V21-I28 HydrophobicContact CG2-CD1 4.32Å; V21-I28 HydrophobicContact CG2-CG1 3.77Å; V21-I28 PolarHBondContact N-O 2.85Å; V21-I28 PolarHBondContact O-N 3.25Å; S23-I28 VanDerWaalsContact CB-CD1 3.44Å; I28-W30 PolarHBondContact O-N 2.78Å |
| 29 | C | 87.7 | Confident | 85.1 | Confident | 37 Ų | 37 | 69 Ų | 69 | 25% | 0.25 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 127.1 | 174.1 | -61.1 | 0 | 0 | 0 | 0 | 110.2 | A32 C39 | C29-A32 HydrophobicContact CB-CB 4.25Å; C29-C39 WeakPolarHBondContact CA-SG 3.18Å; C29-C39 HydrophobicContact CB-CB 3.84Å; C29-C39 WeakPolarHBondContact CB-SG 3.33Å; C29-C39 WeakPolarHBondContact SG-CB 3.39Å; C29-C39 CovalentContact SG-SG 2.02Å; C29-C39 PolarHBondContact SG-SG 3.03Å |
| 30 | W | 83.7 | Confident | 85.4 | Confident | 130 Ų | 130 | 71.1 Ų | 71.1 | 49% | 0.492 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -109.4 | 126.1 | 172.5 | -177.1 | -94 | 0 | 0 | 0 | 110.5 | P19 V21 I28 A32 | P19-W30 WeakPolarHBondContact O-CB 3.35Å; P19-W30 PolarHBondContact O-N 3.11Å; P19-W30 VanDerWaalsContact O-N 3.11Å; V21-W30 HydrophobicContact CB-CB 4.24Å; V21-W30 HydrophobicContact CG1-CB 3.53Å; V21-W30 HydrophobicContact CG1-CD2 4.1Å; V21-W30 HydrophobicContact CG1-CE3 4.4Å; V21-W30 HydrophobicContact CG1-CG 3.75Å; V21-W30 HydrophobicContact CG2-CB 3.81Å; V21-W30 HydrophobicContact CG2-CD2 4.2Å; V21-W30 HydrophobicContact CG2-CE3 3.71Å; V21-W30 HydrophobicContact CG2-CG 4.29Å; I28-W30 PolarHBondContact O-N 2.78Å; W30-A32 PolarHBondContact O-N 3.45Å |
| 31 | N | 79.9 | Confident | 85.4 | Confident | 135 Ų | 135 | 72.5 Ų | 72.5 | 72% | 0.722 | 41% | 0.405 | S | S | * | . | S | Bend | trans | 46.3 | 33.5 | -178.2 | -73 | -12.3 | 0 | 0 | 0 | 114 | ||
| 32 | A | 81.4 | Confident | 85.2 | Confident | 24 Ų | 24 | 75.7 Ų | 75.7 | 20% | 0.198 | 42% | 0.421 | C | S | . | . | S | Bend | trans | -134.3 | 144.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | P19 C29 W30 C39 V40 V41 | P19-A32 HydrophobicContact CB-CB 4.15Å; P19-A32 HydrophobicContact CG-CB 4.11Å; C29-A32 HydrophobicContact CB-CB 4.25Å; W30-A32 PolarHBondContact O-N 3.45Å; A32-C39 HydrophobicContact CB-CB 3.88Å; A32-V40 CarbonylContact C-O 3.56Å; A32-V40 WeakPolarHBondContact CA-O 3.33Å; A32-V41 HydrophobicContact CB-CG2 3.56Å |
| 33 | K | 83.2 | Confident | 85.1 | Confident | 139 Ų | 139 | 75.4 Ų | 75.4 | 60% | 0.604 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 137.7 | 171.3 | -68.6 | 178.8 | -177.5 | 162.9 | 0 | 109.4 | A35 V40 D42 | K33-A35 PolarHBondContact O-N 2.99Å; K33-V40 PolarHBondContact N-O 3.28Å; K33-V40 PolarHBondContact O-N 2.77Å; K33-D42 VanDerWaalsContact CD-OD2 3.31Å; K33-D42 WeakPolarHBondContact CD-OD2 3.2Å; K33-D42 WeakPolarHBondContact CE-OD2 3.43Å; K33-D42 IonicContact NZ-OD2 2.67Å; K33-D42 PolarHBondContact NZ-OD2 2.85Å |
| 34 | R | 84 | Confident | 84.7 | Confident | 152 Ų | 152 | 76.4 Ų | 76.4 | 57% | 0.574 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 116 | 173.4 | -173.9 | 174.4 | -179.3 | 177.6 | 2.5 | 109.6 | I8 G36 | I8-R34 HydrophobicContact CD1-CG 3.92Å; R34-G36 WeakPolarHBondContact CG-O 3.29Å; R34-G36 PolarHBondContact NE-O 3.4Å |
| 35 | A | 83.6 | Confident | 84.2 | Confident | 51 Ų | 51 | 75.5 Ų | 75.5 | 42% | 0.421 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 95.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | K33 N37 T38 V40 | K33-A35 PolarHBondContact O-N 2.99Å; A35-N37 PolarHBondContact O-N 3.17Å; A35-T38 CarbonylContact C-O 3.57Å; A35-T38 PolarHBondContact N-O 3.28Å; A35-T38 PolarHBondContact O-N 2.03Å; A35-T38 VanDerWaalsContact O-N 3.11Å; A35-T38 VanDerWaalsContact O-O 3.12Å; A35-T38 PolarHBondContact O-OG1 2.83Å; A35-V40 HydrophobicContact CB-CG2 3.72Å |
| 36 | G | 83.4 | Confident | 83.4 | Confident | 55 Ų | 55 | 76.9 Ų | 76.9 | 57% | 0.567 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.9 | -122.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | R34 T38 | R34-G36 WeakPolarHBondContact CG-O 3.29Å; R34-G36 PolarHBondContact NE-O 3.4Å; G36-T38 VanDerWaalsContact C-N 3.35Å |
| 37 | N | 83.2 | Confident | 83 | Confident | 132 Ų | 132 | 76.5 Ų | 76.5 | 71% | 0.706 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | 7.9 | 176.7 | -85.7 | 8.8 | 0 | 0 | 0 | 113.8 | I8 A35 | I8-N37 WeakPolarHBondContact CD1-O 3.43Å; I8-N37 WeakPolarHBondContact CG1-O 3.06Å; A35-N37 PolarHBondContact O-N 3.17Å |
| 38 | T | 80.3 | Confident | 82.4 | Confident | 90 Ų | 90 | 78.9 Ų | 78.9 | 55% | 0.552 | 46% | 0.456 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 147.6 | -178.9 | 41.9 | 0 | 0 | 0 | 0 | 111.7 | A35 G36 | A35-T38 CarbonylContact C-O 3.57Å; A35-T38 PolarHBondContact N-O 3.28Å; A35-T38 PolarHBondContact O-N 2.03Å; A35-T38 VanDerWaalsContact O-N 3.11Å; A35-T38 VanDerWaalsContact O-O 3.12Å; A35-T38 PolarHBondContact O-OG1 2.83Å; G36-T38 VanDerWaalsContact C-N 3.35Å |
| 39 | C | 83.2 | Confident | 81.6 | Confident | 20 Ų | 20 | 78.5 Ų | 78.5 | 14% | 0.135 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 125.1 | 173.8 | -57 | 0 | 0 | 0 | 0 | 108.9 | P19 L20 C29 A32 | P19-C39 HydrophobicContact CG-CB 3.48Å; P19-C39 VanDerWaalsContact CG-CB 3.48Å; L20-C39 WeakPolarHBondContact CD2-SG 3.02Å; C29-C39 WeakPolarHBondContact CA-SG 3.18Å; C29-C39 HydrophobicContact CB-CB 3.84Å; C29-C39 WeakPolarHBondContact CB-SG 3.33Å; C29-C39 WeakPolarHBondContact SG-CB 3.39Å; C29-C39 CovalentContact SG-SG 2.02Å; C29-C39 PolarHBondContact SG-SG 3.03Å; A32-C39 HydrophobicContact CB-CB 3.88Å |
| 40 | V | 84.5 | Confident | 80.7 | Confident | 65 Ų | 65 | 80.5 Ų | 80.5 | 39% | 0.394 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 124.7 | -178.7 | -178.8 | 0 | 0 | 0 | 0 | 108.7 | A32 K33 A35 | A32-V40 CarbonylContact C-O 3.56Å; A32-V40 WeakPolarHBondContact CA-O 3.33Å; K33-V40 PolarHBondContact N-O 3.28Å; K33-V40 PolarHBondContact O-N 2.77Å; A35-V40 HydrophobicContact CB-CG2 3.72Å |
| 41 | V | 84.3 | Confident | 80 | Confident | 36 Ų | 36 | 76.1 Ų | 76.1 | 22% | 0.218 | 46% | 0.461 | C | S | . | . | trans | -97.8 | 124.2 | 173.1 | -179.2 | 0 | 0 | 0 | 0 | 108.4 | P19 A32 C43 L49 | P19-V41 HydrophobicContact CB-CG2 3.7Å; P19-V41 HydrophobicContact CG-CG2 4.16Å; A32-V41 HydrophobicContact CB-CG2 3.56Å; V41-C43 PolarHBondContact O-N 3.03Å; V41-L49 HydrophobicContact CB-CD1 4.25Å; V41-L49 HydrophobicContact CB-CD2 4.32Å; V41-L49 HydrophobicContact CG1-CD1 4.14Å; V41-L49 HydrophobicContact CG2-CD1 4.03Å; V41-L49 HydrophobicContact CG2-CD2 3.83Å; V41-L49 HydrophobicContact CG2-CG 4.47Å | ||
| 42 | D | 82.8 | Confident | 79.7 | Confident | 101 Ų | 101 | 74.2 Ų | 74.2 | 54% | 0.54 | 45% | 0.447 | S | S | . | . | trans | -80.3 | 91.8 | 173.5 | -64.8 | -39.2 | 0 | 0 | 0 | 109 | K33 | K33-D42 VanDerWaalsContact CD-OD2 3.31Å; K33-D42 WeakPolarHBondContact CD-OD2 3.2Å; K33-D42 WeakPolarHBondContact CE-OD2 3.43Å; K33-D42 IonicContact NZ-OD2 2.67Å; K33-D42 PolarHBondContact NZ-OD2 2.85Å | ||
| 43 | C | 82.6 | Confident | 79.5 | Confident | 33 Ų | 33 | 78.6 Ų | 78.6 | 22% | 0.223 | 46% | 0.464 | C | S | . | . | P | Polyproline II helix | trans | -79.9 | 148.2 | 172 | -69.4 | 0 | 0 | 0 | 0 | 111.5 | V41 E47 C54 | V41-C43 PolarHBondContact O-N 3.03Å; C43-E47 HydrophobicContact CB-CB 4.06Å; C43-C54 WeakPolarHBondContact CA-SG 3.42Å; C43-C54 HydrophobicContact CB-CB 3.73Å; C43-C54 WeakPolarHBondContact CB-SG 3.47Å; C43-C54 WeakPolarHBondContact SG-CB 3.01Å; C43-C54 CovalentContact SG-SG 2.05Å; C43-C54 PolarHBondContact SG-SG 2.83Å |
| 44 | P | 82.3 | Confident | 79.4 | Confident | 66 Ų | 66 | 73.9 Ų | 73.9 | 43% | 0.429 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -51.9 | 152.9 | 171 | -25 | 32.9 | 0 | 0 | 0 | 112.5 | G46 E47 | P44-G46 PolarHBondContact O-N 3.41Å; P44-E47 HydrophobicContact CB-CG 4.37Å; P44-E47 WeakPolarHBondContact CD-OE2 3.47Å; P44-E47 WeakPolarHBondContact CG-OE2 3.45Å; P44-E47 WeakPolarHBondContact O-CB 3.42Å; P44-E47 PolarHBondContact O-N 2.86Å |
| 45 | P | 77.4 | Confident | 79.3 | Confident | 140 Ų | 140 | 70.9 Ų | 70.9 | 91% | 0.909 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | 124.2 | 176.1 | -24.5 | 33.3 | 0 | 0 | 0 | 112.1 | ||
| 46 | G | 72.2 | Confident | 79.2 | Confident | 60 Ų | 60 | 72 Ų | 72 | 62% | 0.619 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.3 | -2.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | P44 A57 | P44-G46 PolarHBondContact O-N 3.41Å; G46-A57 PolarHBondContact O-N 2.96Å |
| 47 | E | 83 | Confident | 79.1 | Confident | 76 Ų | 76 | 70.1 Ų | 70.1 | 36% | 0.355 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 156.3 | 172.6 | -62.3 | -170.6 | 173 | 0 | 0 | 111.7 | C43 P44 C54 K55 | C43-E47 HydrophobicContact CB-CB 4.06Å; P44-E47 HydrophobicContact CB-CG 4.37Å; P44-E47 WeakPolarHBondContact CD-OE2 3.47Å; P44-E47 WeakPolarHBondContact CG-OE2 3.45Å; P44-E47 WeakPolarHBondContact O-CB 3.42Å; P44-E47 PolarHBondContact O-N 2.86Å; E47-C54 HydrophobicContact CB-CB 4.23Å; E47-C54 WeakPolarHBondContact OE2-CB 3.36Å; E47-K55 CarbonylContact C-O 3.38Å; E47-K55 VanDerWaalsContact CA-O 3.23Å; E47-K55 WeakPolarHBondContact CA-O 3.42Å; E47-K55 WeakPolarHBondContact CB-O 3.03Å |
| 48 | S | 78.7 | Confident | 79.4 | Confident | 49 Ų | 49 | 64.5 Ų | 64.5 | 34% | 0.343 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 154.5 | 171 | -59.4 | 0 | 0 | 0 | 0 | 109.9 | V50 K55 A57 | S48-V50 PolarHBondContact O-N 2.96Å; S48-K55 PolarHBondContact N-O 2.93Å; S48-K55 PolarHBondContact O-N 3.18Å; S48-A57 VanDerWaalsContact CB-CB 3.5Å; S48-A57 WeakPolarHBondContact OG-CB 3.41Å |
| 49 | L | 71.5 | Confident | 79.8 | Confident | 58 Ų | 58 | 67 Ų | 67 | 30% | 0.304 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 112.8 | 179.1 | -176.6 | 73.7 | 0 | 0 | 0 | 110.2 | P19 V41 | P19-L49 HydrophobicContact CB-CD2 3.71Å; P19-L49 HydrophobicContact CG-CD2 4.27Å; V41-L49 HydrophobicContact CB-CD1 4.25Å; V41-L49 HydrophobicContact CB-CD2 4.32Å; V41-L49 HydrophobicContact CG1-CD1 4.14Å; V41-L49 HydrophobicContact CG2-CD1 4.03Å; V41-L49 HydrophobicContact CG2-CD2 3.83Å; V41-L49 HydrophobicContact CG2-CG 4.47Å |
| 50 | V | 69.4 | Low | 80.2 | Confident | 79 Ų | 79 | 67.2 Ų | 67.2 | 48% | 0.479 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 105.5 | 173 | -178.7 | 0 | 0 | 0 | 0 | 108.4 | S48 H52 E53 K55 | S48-V50 PolarHBondContact O-N 2.96Å; V50-H52 PolarHBondContact O-N 3.48Å; V50-E53 PolarHBondContact N-O 2.97Å; V50-E53 PolarHBondContact O-N 2.98Å; V50-K55 HydrophobicContact CB-CB 4.37Å; V50-K55 HydrophobicContact CB-CD 4.28Å; V50-K55 HydrophobicContact CB-CG 4.47Å; V50-K55 HydrophobicContact CG2-CB 4.2Å |
| 51 | G | 68.7 | Low | 80.6 | Confident | 38 Ų | 38 | 65.9 Ų | 65.9 | 39% | 0.392 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.8 | -114.2 | -168.8 | 0 | 0 | 0 | 0 | 0 | 110 | P18 | P18-G51 WeakPolarHBondContact CB-O 3.47Š|
| 52 | H | 73 | Confident | 80.9 | Confident | 94 Ų | 94 | 65.3 Ų | 65.3 | 44% | 0.435 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.4 | 8.9 | 179.2 | -59.9 | 92 | 0 | 0 | 0 | 113.1 | V50 | V50-H52 PolarHBondContact O-N 3.48Š|
| 53 | E | 77.3 | Confident | 81.4 | Confident | 117 Ų | 117 | 65 Ų | 65 | 55% | 0.547 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 138.4 | -176 | -67.7 | 173.3 | 171.4 | 0 | 0 | 109.5 | V50 K55 | V50-E53 PolarHBondContact N-O 2.97Å; V50-E53 PolarHBondContact O-N 2.98Å; E53-K55 HydrophobicContact CB-CG 4.37Å; E53-K55 PolarHBondContact O-N 3.04Å; E53-K55 WeakPolarHBondContact OE2-CE 3.25Å; E53-K55 IonicContact OE2-NZ 3.76Å; E53-K55 PolarHBondContact OE2-NZ 2.81Å |
| 54 | C | 81.7 | Confident | 81.9 | Confident | 40 Ų | 40 | 63.4 Ų | 63.4 | 27% | 0.27 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 124.6 | 166.3 | -65.8 | 0 | 0 | 0 | 0 | 108.3 | C43 E47 | C43-C54 WeakPolarHBondContact CA-SG 3.42Å; C43-C54 HydrophobicContact CB-CB 3.73Å; C43-C54 WeakPolarHBondContact CB-SG 3.47Å; C43-C54 WeakPolarHBondContact SG-CB 3.01Å; C43-C54 CovalentContact SG-SG 2.05Å; C43-C54 PolarHBondContact SG-SG 2.83Å; E47-C54 HydrophobicContact CB-CB 4.23Å; E47-C54 WeakPolarHBondContact OE2-CB 3.36Å |
| 55 | K | 82.3 | Confident | 82.4 | Confident | 88 Ų | 88 | 63.2 Ų | 63.2 | 38% | 0.383 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 150.4 | 178.7 | -66.5 | -171.4 | 178.5 | 175.3 | 0 | 109.5 | E47 S48 V50 E53 A57 | E47-K55 CarbonylContact C-O 3.38Å; E47-K55 VanDerWaalsContact CA-O 3.23Å; E47-K55 WeakPolarHBondContact CA-O 3.42Å; E47-K55 WeakPolarHBondContact CB-O 3.03Å; S48-K55 PolarHBondContact N-O 2.93Å; S48-K55 PolarHBondContact O-N 3.18Å; V50-K55 HydrophobicContact CB-CB 4.37Å; V50-K55 HydrophobicContact CB-CD 4.28Å; V50-K55 HydrophobicContact CB-CG 4.47Å; V50-K55 HydrophobicContact CG2-CB 4.2Å; E53-K55 HydrophobicContact CB-CG 4.37Å; E53-K55 PolarHBondContact O-N 3.04Å; E53-K55 WeakPolarHBondContact OE2-CE 3.25Å; E53-K55 IonicContact OE2-NZ 3.76Å; E53-K55 PolarHBondContact OE2-NZ 2.81Å; K55-A57 PolarHBondContact O-N 3.13Å |
| 56 | K | 81.6 | Confident | 83.1 | Confident | 75 Ų | 75 | 61.4 Ų | 61.4 | 33% | 0.326 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.6 | 123.7 | 170.9 | -165.3 | -175.5 | 169.6 | -160.6 | 0 | 109 | V58 V63 D69 | K56-V58 HydrophobicContact CD-CG2 4.11Å; K56-V58 HydrophobicContact CG-CG2 3.94Å; K56-V63 PolarHBondContact NZ-O 2.96Å; K56-D69 HydrophobicContact CD-CB 4.49Å; K56-D69 WeakPolarHBondContact CD-OD2 3.37Å; K56-D69 IonicContact NZ-OD2 2.77Å; K56-D69 PolarHBondContact NZ-OD2 2.86Å |
| 57 | A | 81.9 | Confident | 83.9 | Confident | 15 Ų | 15 | 61.3 Ų | 61.3 | 12% | 0.124 | 34% | 0.344 | C | S | . | . | trans | -120.8 | 93.3 | -172.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | G46 S48 K55 T71 | G46-A57 PolarHBondContact O-N 2.96Å; S48-A57 VanDerWaalsContact CB-CB 3.5Å; S48-A57 WeakPolarHBondContact OG-CB 3.41Å; K55-A57 PolarHBondContact O-N 3.13Å; A57-T71 HydrophobicContact CB-CG2 3.54Å | ||
| 58 | V | 88.9 | Confident | 83.9 | Confident | 14 Ų | 14 | 62.1 Ų | 62.1 | 9% | 0.085 | 36% | 0.358 | C | S | . | . | B | Isolated β-bridge | trans | -99.2 | 118.3 | -175 | -174.7 | 0 | 0 | 0 | 0 | 109.5 | K56 V63 C64 D69 C70 T71 C82 | K56-V58 HydrophobicContact CD-CG2 4.11Å; K56-V58 HydrophobicContact CG-CG2 3.94Å; V58-V63 WeakPolarHBondContact CG2-O 2.94Å; V58-C64 HydrophobicContact CG1-CB 4.47Å; V58-D69 HydrophobicContact CB-CB 4.33Å; V58-D69 WeakPolarHBondContact CB-O 3.49Å; V58-D69 HydrophobicContact CG2-CB 3.86Å; V58-D69 PolarHBondContact N-O 3.26Å; V58-C70 WeakPolarHBondContact O-CA 3.41Å; V58-T71 PolarHBondContact O-N 3.05Å; V58-T71 PolarHBondContact O-OG1 3.07Å; V58-C82 HydrophobicContact CG1-CB 4.38Å; V58-C82 WeakPolarHBondContact CG1-SG 3.28Å |
| 59 | Y | 89.3 | Confident | 84.3 | Confident | 143 Ų | 143 | 60.7 Ų | 60.7 | 56% | 0.561 | 35% | 0.347 | S | S | * | . | P | Polyproline II helix | trans | -71.6 | 161.4 | 172.8 | -64.5 | -76.2 | 0 | 0 | 0 | 111.7 | G61 G62 | Y59-G61 PolarHBondContact O-N 3.23Å; Y59-G62 WeakPolarHBondContact O-CA 3.32Å; Y59-G62 PolarHBondContact O-N 3.29Å |
| 60 | L | 91.5 | Very high | 85.2 | Confident | 24 Ų | 24 | 58.7 Ų | 58.7 | 13% | 0.126 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | 135.2 | 177.5 | -70.9 | 179.5 | 0 | 0 | 0 | 112.4 | G62 A72 C82 C95 | L60-G62 PolarHBondContact O-N 3.18Å; L60-A72 HydrophobicContact CD1-CB 4.2Å; L60-A72 HydrophobicContact CD2-CB 3.91Å; L60-A72 HydrophobicContact CG-CB 3.87Å; L60-C82 HydrophobicContact CD2-CB 4.47Å; L60-C95 VanDerWaalsContact CD2-SG 3.53Å |
| 61 | G | 91.4 | Very high | 85.9 | Confident | 37 Ų | 37 | 57.9 Ų | 57.9 | 38% | 0.381 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.5 | -15.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y59 R81 C82 | Y59-G61 PolarHBondContact O-N 3.23Å; G61-R81 PolarHBondContact O-NH1 2.94Å; G61-C82 PolarHBondContact N-O 3.06Å |
| 62 | G | 92 | Very high | 86.7 | Confident | 25 Ų | 25 | 56.7 Ų | 56.7 | 26% | 0.258 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -71.5 | 165.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y59 L60 R81 C82 | Y59-G62 WeakPolarHBondContact O-CA 3.32Å; Y59-G62 PolarHBondContact O-N 3.29Å; L60-G62 PolarHBondContact O-N 3.18Å; G62-R81 VanDerWaalsContact O-CA 3.23Å; G62-R81 WeakPolarHBondContact O-CA 3.5Å; G62-C82 PolarHBondContact O-N 2.81Å |
| 63 | V | 93.4 | Very high | 87.1 | Confident | 93 Ų | 93 | 53 Ų | 53 | 56% | 0.564 | 31% | 0.305 | S | S | * | . | B | Isolated β-bridge | trans | -84.1 | 119.3 | -175.2 | -177.3 | 0 | 0 | 0 | 0 | 111.6 | K56 V58 K80 | K56-V63 PolarHBondContact NZ-O 2.96Å; V58-V63 WeakPolarHBondContact CG2-O 2.94Å; V63-K80 VanDerWaalsContact CA-O 3.29Å; V63-K80 WeakPolarHBondContact CA-O 3.3Å |
| 64 | C | 92.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 28% | 0.281 | C | S | . | . | trans | -118.4 | 154.5 | -177.8 | 57.1 | 0 | 0 | 0 | 0 | 111.9 | V58 D69 C77 K80 R81 C82 | V58-C64 HydrophobicContact CG1-CB 4.47Å; C64-D69 HydrophobicContact CB-CB 3.95Å; C64-C77 HydrophobicContact CB-CB 3.81Å; C64-C77 WeakPolarHBondContact CB-SG 3.39Å; C64-C77 PolarHBondContact O-SG 3.13Å; C64-C77 VanDerWaalsContact O-SG 3.32Å; C64-C77 WeakPolarHBondContact SG-CA 3.44Å; C64-C77 WeakPolarHBondContact SG-CB 3.44Å; C64-C77 CovalentContact SG-SG 2.03Å; C64-C77 PolarHBondContact SG-SG 2.81Å; C64-K80 PolarHBondContact N-O 3Å; C64-K80 VanDerWaalsContact O-CD 3.24Å; C64-K80 WeakPolarHBondContact O-CD 3.05Å; C64-K80 VanDerWaalsContact SG-C 3.5Å; C64-R81 PolarHBondContact SG-N 2.04Å; C64-R81 VanDerWaalsContact SG-N 3.43Å; C64-C82 VanDerWaalsContact CB-SG 3.57Å; C64-C82 PolarHBondContact SG-N 3.4Å | ||
| 65 | S | 92.9 | Very high | 88 | Confident | 63 Ų | 63 | 46.4 Ų | 46.4 | 44% | 0.441 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -96.3 | -42.9 | 170.8 | -65.4 | 0 | 0 | 0 | 0 | 110.8 | D69 | S65-D69 PolarHBondContact N-OD2 2.92Š|
| 66 | D | 90.8 | Very high | 88.5 | Confident | 101 Ų | 101 | 44.8 Ų | 44.8 | 54% | 0.54 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -138.9 | 161 | -174.4 | -64.1 | -65.8 | 0 | 0 | 0 | 111.2 | S68 D69 C77 | D66-S68 PolarHBondContact O-N 3.41Å; D66-D69 VanDerWaalsContact O-CB 3.28Å; D66-D69 WeakPolarHBondContact O-CB 3.45Å; D66-D69 PolarHBondContact O-N 3.03Å; D66-C77 WeakPolarHBondContact O-CB 3.43Å |
| 67 | D | 89.1 | Confident | 89.1 | Confident | 58 Ų | 58 | 42.3 Ų | 42.3 | 31% | 0.31 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -57.7 | -31.2 | 179.4 | -72 | -6.2 | 0 | 0 | 0 | 113.7 | D69 C70 C77 K140 | D67-D69 PolarHBondContact O-N 3.46Å; D67-C70 PolarHBondContact O-N 3.23Å; D67-C77 PolarHBondContact OD1-N 3.36Å; D67-K140 IonicContact OD2-NZ 3.13Å; D67-K140 PolarHBondContact OD2-NZ 3.4Å |
| 68 | S | 84.6 | Confident | 89.8 | Confident | 94 Ų | 94 | 47 Ų | 47 | 66% | 0.657 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -69 | -18.1 | 179.9 | 50.3 | 0 | 0 | 0 | 0 | 113.4 | D66 C70 | D66-S68 PolarHBondContact O-N 3.41Å; S68-C70 PolarHBondContact O-N 3.14Å |
| 69 | D | 87.3 | Confident | 90 | Very high | 19 Ų | 19 | 53.4 Ų | 53.4 | 10% | 0.102 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -68.4 | -27.9 | 173.9 | -68.1 | -5.2 | 0 | 0 | 0 | 110.9 | K56 V58 C64 S65 D66 D67 T71 | K56-D69 HydrophobicContact CD-CB 4.49Å; K56-D69 WeakPolarHBondContact CD-OD2 3.37Å; K56-D69 IonicContact NZ-OD2 2.77Å; K56-D69 PolarHBondContact NZ-OD2 2.86Å; V58-D69 HydrophobicContact CB-CB 4.33Å; V58-D69 WeakPolarHBondContact CB-O 3.49Å; V58-D69 HydrophobicContact CG2-CB 3.86Å; V58-D69 PolarHBondContact N-O 3.26Å; C64-D69 HydrophobicContact CB-CB 3.95Å; S65-D69 PolarHBondContact N-OD2 2.92Å; D66-D69 VanDerWaalsContact O-CB 3.28Å; D66-D69 WeakPolarHBondContact O-CB 3.45Å; D66-D69 PolarHBondContact O-N 3.03Å; D67-D69 PolarHBondContact O-N 3.46Å; D69-T71 PolarHBondContact O-N 3.13Å |
| 70 | C | 88.9 | Confident | 90.3 | Very high | 15 Ų | 15 | 52.6 Ų | 52.6 | 10% | 0.101 | 31% | 0.307 | C | S | . | . | B | Isolated β-bridge | trans | -81.3 | 120.8 | -171.9 | -57.7 | 0 | 0 | 0 | 0 | 111.4 | V58 D67 S68 S75 C82 | V58-C70 WeakPolarHBondContact O-CA 3.41Å; D67-C70 PolarHBondContact O-N 3.23Å; S68-C70 PolarHBondContact O-N 3.14Å; C70-S75 WeakPolarHBondContact CB-OG 3.31Å; C70-C82 WeakPolarHBondContact CA-SG 2.96Å; C70-C82 HydrophobicContact CB-CB 3.76Å; C70-C82 WeakPolarHBondContact CB-SG 3.32Å; C70-C82 WeakPolarHBondContact SG-CA 3.47Å; C70-C82 WeakPolarHBondContact SG-CB 3.41Å; C70-C82 CovalentContact SG-SG 2.04Å; C70-C82 PolarHBondContact SG-SG 3.11Å |
| 71 | T | 84.5 | Confident | 90.5 | Very high | 63 Ų | 63 | 58 Ų | 58 | 39% | 0.387 | 33% | 0.326 | S | S | . | . | trans | -79.3 | -27.9 | -172 | 55.4 | 0 | 0 | 0 | 0 | 113.9 | A57 V58 D69 A73 | A57-T71 HydrophobicContact CB-CG2 3.54Å; V58-T71 PolarHBondContact O-N 3.05Å; V58-T71 PolarHBondContact O-OG1 3.07Å; D69-T71 PolarHBondContact O-N 3.13Å; T71-A73 PolarHBondContact O-N 3.16Å | ||
| 72 | A | 85.3 | Confident | 90.6 | Very high | 13 Ų | 13 | 56.4 Ų | 56.4 | 11% | 0.107 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -69.2 | 131.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | L60 S75 | L60-A72 HydrophobicContact CD1-CB 4.2Å; L60-A72 HydrophobicContact CD2-CB 3.91Å; L60-A72 HydrophobicContact CG-CB 3.87Å; A72-S75 WeakPolarHBondContact O-CB 3.16Å; A72-S75 PolarHBondContact O-N 2.98Å; A72-S75 PolarHBondContact O-OG 3.42Å |
| 73 | A | 81.7 | Confident | 90.8 | Very high | 17 Ų | 17 | 57.5 Ų | 57.5 | 14% | 0.14 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | 143.9 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | T71 S75 C95 I143 | T71-A73 PolarHBondContact O-N 3.16Å; A73-S75 VanDerWaalsContact C-N 3.29Å; A73-S75 PolarHBondContact O-N 3.08Å; A73-C95 WeakPolarHBondContact O-CB 3.12Å; A73-I143 HydrophobicContact CB-CB 3.92Å; A73-I143 HydrophobicContact CB-CD1 4.29Å; A73-I143 HydrophobicContact CB-CG2 3.58Å |
| 74 | F | 88.1 | Confident | 90.7 | Very high | 10 Ų | 10 | 54.4 Ų | 54.4 | 4% | 0.044 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | 30.9 | -175.7 | -42.7 | -79.3 | 0 | 0 | 0 | 114.6 | C84 I85 S88 C95 T137 I143 H145 | F74-C84 WeakPolarHBondContact O-CA 3.38Å; F74-I85 HydrophobicContact CB-CD1 3.99Å; F74-I85 HydrophobicContact CB-CG1 3.95Å; F74-I85 HydrophobicContact CD1-CD1 4.05Å; F74-I85 WeakPolarHBondContact O-CG1 3.22Å; F74-I85 PolarHBondContact O-N 3.39Å; F74-S88 PolarHBondContact O-OG 2.99Å; F74-C95 HydrophobicContact CB-CB 3.9Å; F74-C95 WeakPolarHBondContact O-CB 3.4Å; F74-T137 WeakPolarHBondContact CE1-O 3.34Å; F74-T137 WeakPolarHBondContact CZ-O 3.29Å; F74-I143 VanDerWaalsContact CZ-O 3.25Å; F74-I143 WeakPolarHBondContact CZ-O 3.47Å; F74-H145 AromaticContact CD2-NE2 3.38Å; F74-H145 WeakPolarHBondContact CD2-NE2 3.2Å; F74-H145 AromaticContact CE2-CD2 3.36Å; F74-H145 WeakPolarHBondContact CE2-CD2 3.07Å; F74-H145 AromaticContact CE2-CE1 3.81Å; F74-H145 AromaticContact CE2-NE2 3.03Å; F74-H145 WeakPolarHBondContact CE2-NE2 3.22Å; F74-H145 AromaticContact CZ-CD2 3.66Å; F74-H145 AromaticContact CZ-NE2 3.83Å |
| 75 | S | 90.6 | Very high | 90.6 | Very high | 7 Ų | 7 | 57 Ų | 57 | 5% | 0.049 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 154.4 | 170 | 68.3 | 0 | 0 | 0 | 0 | 112.2 | C70 A72 A73 T83 | C70-S75 WeakPolarHBondContact CB-OG 3.31Å; A72-S75 WeakPolarHBondContact O-CB 3.16Å; A72-S75 PolarHBondContact O-N 2.98Å; A72-S75 PolarHBondContact O-OG 3.42Å; A73-S75 VanDerWaalsContact C-N 3.29Å; A73-S75 PolarHBondContact O-N 3.08Å; S75-T83 CarbonylContact C-O 3.59Å; S75-T83 WeakPolarHBondContact CA-O 3.45Å; S75-T83 WeakPolarHBondContact CB-O 3.44Å |
| 76 | E | 92 | Very high | 90.3 | Very high | 54 Ų | 54 | 58.7 Ų | 58.7 | 25% | 0.252 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 155.7 | 174.4 | 62.4 | -178.4 | -168.6 | 0 | 0 | 109.7 | K78 T83 I85 | E76-K78 HydrophobicContact CG-CB 4.3Å; E76-K78 PolarHBondContact O-N 2.83Å; E76-K78 IonicContact OE1-NZ 2.63Å; E76-T83 PolarHBondContact N-O 3.02Å; E76-T83 PolarHBondContact O-N 2.6Å; E76-I85 HydrophobicContact CB-CG2 3.81Å; E76-I85 HydrophobicContact CG-CG2 3.8Å |
| 77 | C | 94.2 | Very high | 89.9 | Confident | 24 Ų | 24 | 57.1 Ų | 57.1 | 16% | 0.162 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 89.5 | 173.8 | -173.1 | 0 | 0 | 0 | 0 | 109.8 | C64 D66 D67 | C64-C77 HydrophobicContact CB-CB 3.81Å; C64-C77 WeakPolarHBondContact CB-SG 3.39Å; C64-C77 PolarHBondContact O-SG 3.13Å; C64-C77 VanDerWaalsContact O-SG 3.32Å; C64-C77 WeakPolarHBondContact SG-CA 3.44Å; C64-C77 WeakPolarHBondContact SG-CB 3.44Å; C64-C77 CovalentContact SG-SG 2.03Å; C64-C77 PolarHBondContact SG-SG 2.81Å; D66-C77 WeakPolarHBondContact O-CB 3.43Å; D67-C77 PolarHBondContact OD1-N 3.36Å |
| 78 | K | 95.7 | Very high | 89.8 | Confident | 112 Ų | 112 | 55.3 Ų | 55.3 | 49% | 0.487 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 128.7 | 179.9 | -165.1 | 173.5 | -171.5 | 162.3 | 0 | 110.3 | E76 K80 R81 T83 | E76-K78 HydrophobicContact CG-CB 4.3Å; E76-K78 PolarHBondContact O-N 2.83Å; E76-K78 IonicContact OE1-NZ 2.63Å; K78-K80 PolarHBondContact O-N 3.29Å; K78-R81 PolarHBondContact N-O 2.83Å; K78-R81 PolarHBondContact O-N 3.3Å; K78-T83 WeakPolarHBondContact CB-OG1 3.02Å |
| 79 | N | 94.3 | Very high | 90.1 | Very high | 149 Ų | 149 | 54.8 Ų | 54.8 | 80% | 0.797 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 42.3 | -178 | -59.7 | -31.8 | 0 | 0 | 0 | 112.9 | R81 | N79-R81 PolarHBondContact O-N 3.37Å; N79-R81 VanDerWaalsContact O-N 3.16Å |
| 80 | K | 95.2 | Very high | 90.2 | Very high | 127 Ų | 127 | 58.3 Ų | 58.3 | 55% | 0.552 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.1 | 18.9 | -176.9 | -62 | -66.4 | -177.5 | -173.7 | 0 | 114.6 | V63 C64 K78 | V63-K80 VanDerWaalsContact CA-O 3.29Å; V63-K80 WeakPolarHBondContact CA-O 3.3Å; C64-K80 PolarHBondContact N-O 3Å; C64-K80 VanDerWaalsContact O-CD 3.24Å; C64-K80 WeakPolarHBondContact O-CD 3.05Å; C64-K80 VanDerWaalsContact SG-C 3.5Å; K78-K80 PolarHBondContact O-N 3.29Å |
| 81 | R | 95.5 | Very high | 90.2 | Very high | 138 Ų | 138 | 64.9 Ų | 64.9 | 52% | 0.521 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 142.5 | 173.2 | -67.8 | -175.4 | 179.5 | -89.5 | 1.8 | 111.7 | G61 G62 C64 K78 N79 T83 | G61-R81 PolarHBondContact O-NH1 2.94Å; G62-R81 VanDerWaalsContact O-CA 3.23Å; G62-R81 WeakPolarHBondContact O-CA 3.5Å; C64-R81 PolarHBondContact SG-N 2.04Å; C64-R81 VanDerWaalsContact SG-N 3.43Å; K78-R81 PolarHBondContact N-O 2.83Å; K78-R81 PolarHBondContact O-N 3.3Å; N79-R81 PolarHBondContact O-N 3.37Å; N79-R81 VanDerWaalsContact O-N 3.16Å; R81-T83 HydrophobicContact CB-CG2 4.44Å; R81-T83 PolarHBondContact O-N 3.17Å |
| 82 | C | 94.4 | Very high | 90.2 | Very high | 2 Ų | 2 | 64.3 Ų | 64.3 | 1% | 0.014 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 116 | 173 | -69.6 | 0 | 0 | 0 | 0 | 109.9 | V58 L60 G61 G62 C64 C70 | V58-C82 HydrophobicContact CG1-CB 4.38Å; V58-C82 WeakPolarHBondContact CG1-SG 3.28Å; L60-C82 HydrophobicContact CD2-CB 4.47Å; G61-C82 PolarHBondContact N-O 3.06Å; G62-C82 PolarHBondContact O-N 2.81Å; C64-C82 VanDerWaalsContact CB-SG 3.57Å; C64-C82 PolarHBondContact SG-N 3.4Å; C70-C82 WeakPolarHBondContact CA-SG 2.96Å; C70-C82 HydrophobicContact CB-CB 3.76Å; C70-C82 WeakPolarHBondContact CB-SG 3.32Å; C70-C82 WeakPolarHBondContact SG-CA 3.47Å; C70-C82 WeakPolarHBondContact SG-CB 3.41Å; C70-C82 CovalentContact SG-SG 2.04Å; C70-C82 PolarHBondContact SG-SG 3.11Å |
| 83 | T | 94.7 | Very high | 90.2 | Very high | 48 Ų | 48 | 72.3 Ų | 72.3 | 29% | 0.294 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 158.8 | -178.9 | 61.6 | 0 | 0 | 0 | 0 | 111 | S75 E76 K78 R81 | S75-T83 CarbonylContact C-O 3.59Å; S75-T83 WeakPolarHBondContact CA-O 3.45Å; S75-T83 WeakPolarHBondContact CB-O 3.44Å; E76-T83 PolarHBondContact N-O 3.02Å; E76-T83 PolarHBondContact O-N 2.6Å; K78-T83 WeakPolarHBondContact CB-OG1 3.02Å; R81-T83 HydrophobicContact CB-CG2 4.44Å; R81-T83 PolarHBondContact O-N 3.17Å |
| 84 | C | 92.9 | Very high | 90.4 | Very high | 29 Ų | 29 | 74.7 Ų | 74.7 | 20% | 0.196 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 138.4 | 175.5 | -59.3 | 0 | 0 | 0 | 0 | 111.8 | F74 S88 C95 | F74-C84 WeakPolarHBondContact O-CA 3.38Å; C84-S88 WeakPolarHBondContact CB-OG 3.45Å; C84-C95 WeakPolarHBondContact CA-SG 3.43Å; C84-C95 HydrophobicContact CB-CB 3.7Å; C84-C95 WeakPolarHBondContact CB-SG 2.94Å; C84-C95 VanDerWaalsContact SG-CA 3.58Å; C84-C95 WeakPolarHBondContact SG-CB 3.37Å; C84-C95 CovalentContact SG-SG 2.03Å; C84-C95 PolarHBondContact SG-SG 3.01Å |
| 85 | I | 90.6 | Very high | 90.5 | Very high | 54 Ų | 54 | 74.3 Ų | 74.3 | 28% | 0.277 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 161.6 | 175.5 | 67.1 | 178.2 | 0 | 0 | 0 | 110.7 | F74 E76 G87 S88 | F74-I85 HydrophobicContact CB-CD1 3.99Å; F74-I85 HydrophobicContact CB-CG1 3.95Å; F74-I85 HydrophobicContact CD1-CD1 4.05Å; F74-I85 WeakPolarHBondContact O-CG1 3.22Å; F74-I85 PolarHBondContact O-N 3.39Å; E76-I85 HydrophobicContact CB-CG2 3.81Å; E76-I85 HydrophobicContact CG-CG2 3.8Å; I85-G87 PolarHBondContact O-N 3.15Å; I85-S88 PolarHBondContact N-OG 3.33Å; I85-S88 PolarHBondContact O-N 3.45Å; I85-S88 VanDerWaalsContact O-N 3.08Å; I85-S88 PolarHBondContact O-OG 2.94Å |
| 86 | A | 85.8 | Confident | 90.4 | Very high | 99 Ų | 99 | 74.5 Ų | 74.5 | 82% | 0.818 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | 137.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S88 | A86-S88 VanDerWaalsContact C-N 3.3Š|
| 87 | G | 83 | Confident | 90 | Very high | 67 Ų | 67 | 72.3 Ų | 72.3 | 69% | 0.691 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.2 | 1.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | I85 | I85-G87 PolarHBondContact O-N 3.15Š|
| 88 | S | 87.3 | Confident | 89.7 | Confident | 21 Ų | 21 | 74.2 Ų | 74.2 | 15% | 0.147 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 156.8 | 171.4 | 70.8 | 0 | 0 | 0 | 0 | 111.4 | F74 C84 I85 A86 V96 | F74-S88 PolarHBondContact O-OG 2.99Å; C84-S88 WeakPolarHBondContact CB-OG 3.45Å; I85-S88 PolarHBondContact N-OG 3.33Å; I85-S88 PolarHBondContact O-N 3.45Å; I85-S88 VanDerWaalsContact O-N 3.08Å; I85-S88 PolarHBondContact O-OG 2.94Å; A86-S88 VanDerWaalsContact C-N 3.3Å; S88-V96 CarbonylContact C-O 3.49Å; S88-V96 VanDerWaalsContact CA-O 3.23Å; S88-V96 WeakPolarHBondContact CA-O 3Å; S88-V96 WeakPolarHBondContact CB-O 3.41Å |
| 89 | Y | 89.4 | Confident | 89.2 | Confident | 82 Ų | 82 | 69 Ų | 69 | 32% | 0.322 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 153.3 | -179.9 | 65.2 | -85.1 | 0 | 0 | 0 | 111.5 | R91 C95 V96 T98 I104 | Y89-R91 HydrophobicContact CE2-CB 4.47Å; Y89-R91 PolarHBondContact O-N 3.32Å; Y89-C95 WeakPolarHBondContact O-CA 3.47Å; Y89-V96 HydrophobicContact CD1-CB 4.5Å; Y89-V96 WeakPolarHBondContact CD1-O 3.22Å; Y89-V96 HydrophobicContact CE1-CB 4.03Å; Y89-V96 HydrophobicContact CE1-CG1 4.01Å; Y89-V96 WeakPolarHBondContact CE1-O 3.03Å; Y89-V96 HydrophobicContact CE2-CB 4.3Å; Y89-V96 PolarHBondContact N-O 3.47Å; Y89-V96 PolarHBondContact O-N 2.86Å; Y89-T98 HydrophobicContact CE1-CG2 4Å; Y89-I104 WeakPolarHBondContact OH-CG2 3.2Å |
| 90 | N | 90.9 | Very high | 88.6 | Confident | 94 Ų | 94 | 66.8 Ų | 66.8 | 50% | 0.503 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 128.1 | 178.7 | -178.7 | -44.3 | 0 | 0 | 0 | 110.1 | G92 | N90-G92 PolarHBondContact ND2-O 2.95Å; N90-G92 PolarHBondContact OD1-N 3.48Å; N90-G92 PolarHBondContact OD1-O 3.1Å |
| 91 | R | 87.2 | Confident | 88 | Confident | 152 Ų | 152 | 64.4 Ų | 64.4 | 57% | 0.574 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 80.3 | 167.4 | -169 | -179.9 | 179.5 | 176.2 | -0.9 | 109.6 | Y89 Y93 S94 V96 | Y89-R91 HydrophobicContact CE2-CB 4.47Å; Y89-R91 PolarHBondContact O-N 3.32Å; R91-Y93 PolarHBondContact O-N 2.03Å; R91-S94 PolarHBondContact N-O 3.46Å; R91-S94 PolarHBondContact O-N 2.82Å; R91-V96 HydrophobicContact CB-CG2 3.72Å |
| 92 | G | 85.5 | Confident | 87.5 | Confident | 52 Ų | 52 | 60.4 Ų | 60.4 | 54% | 0.536 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74 | -111.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | N90 | N90-G92 PolarHBondContact ND2-O 2.95Å; N90-G92 PolarHBondContact OD1-N 3.48Å; N90-G92 PolarHBondContact OD1-O 3.1Å |
| 93 | Y | 85.4 | Confident | 87.1 | Confident | 180 Ų | 180 | 61.9 Ų | 61.9 | 71% | 0.706 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | 5.7 | 179.4 | -62.6 | -72.6 | 0 | 0 | 0 | 113.8 | R91 | R91-Y93 PolarHBondContact O-N 2.03Š|
| 94 | S | 86.7 | Confident | 86.7 | Confident | 67 Ų | 67 | 64.5 Ų | 64.5 | 47% | 0.469 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 150.2 | -178.2 | -59.4 | 0 | 0 | 0 | 0 | 111.7 | R91 | R91-S94 PolarHBondContact N-O 3.46Å; R91-S94 PolarHBondContact O-N 2.82Å |
| 95 | C | 88.8 | Confident | 86.4 | Confident | 3 Ų | 3 | 63.4 Ų | 63.4 | 2% | 0.02 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 138 | 165.9 | -60 | 0 | 0 | 0 | 0 | 109.4 | L60 A73 F74 C84 Y89 | L60-C95 VanDerWaalsContact CD2-SG 3.53Å; A73-C95 WeakPolarHBondContact O-CB 3.12Å; F74-C95 HydrophobicContact CB-CB 3.9Å; F74-C95 WeakPolarHBondContact O-CB 3.4Å; C84-C95 WeakPolarHBondContact CA-SG 3.43Å; C84-C95 HydrophobicContact CB-CB 3.7Å; C84-C95 WeakPolarHBondContact CB-SG 2.94Å; C84-C95 VanDerWaalsContact SG-CA 3.58Å; C84-C95 WeakPolarHBondContact SG-CB 3.37Å; C84-C95 CovalentContact SG-SG 2.03Å; C84-C95 PolarHBondContact SG-SG 3.01Å; Y89-C95 WeakPolarHBondContact O-CA 3.47Å |
| 96 | V | 88.6 | Confident | 85.7 | Confident | 10 Ų | 10 | 71.2 Ų | 71.2 | 6% | 0.061 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 122.9 | -176.3 | -178.6 | 0 | 0 | 0 | 0 | 108.8 | S88 Y89 R91 P105 | S88-V96 CarbonylContact C-O 3.49Å; S88-V96 VanDerWaalsContact CA-O 3.23Å; S88-V96 WeakPolarHBondContact CA-O 3Å; S88-V96 WeakPolarHBondContact CB-O 3.41Å; Y89-V96 HydrophobicContact CD1-CB 4.5Å; Y89-V96 WeakPolarHBondContact CD1-O 3.22Å; Y89-V96 HydrophobicContact CE1-CB 4.03Å; Y89-V96 HydrophobicContact CE1-CG1 4.01Å; Y89-V96 WeakPolarHBondContact CE1-O 3.03Å; Y89-V96 HydrophobicContact CE2-CB 4.3Å; Y89-V96 PolarHBondContact N-O 3.47Å; Y89-V96 PolarHBondContact O-N 2.86Å; R91-V96 HydrophobicContact CB-CG2 3.72Å; V96-P105 HydrophobicContact CG1-CG 3.35Å |
| 97 | A | 84.8 | Confident | 85.6 | Confident | 8 Ų | 8 | 69 Ų | 69 | 7% | 0.066 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 138.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | P105 T137 H145 | A97-P105 WeakPolarHBondContact O-CD 3.26Å; A97-P105 VanDerWaalsContact O-CG 3.29Å; A97-P105 WeakPolarHBondContact O-CG 3.37Å; A97-T137 HydrophobicContact CB-CG2 4.24Å; A97-H145 PolarHBondContact N-CD2 3.23Å; A97-H145 PolarHBondContact N-NE2 2.95Å; A97-H145 VanDerWaalsContact N-NE2 3.12Å |
| 98 | T | 86.1 | Confident | 85.5 | Confident | 64 Ų | 64 | 70 Ų | 70 | 39% | 0.393 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -68 | 149.3 | 173.5 | 48.2 | 0 | 0 | 0 | 0 | 110.8 | Y89 | Y89-T98 HydrophobicContact CE1-CG2 4Š|
| 99 | C | 85.7 | Confident | 85.3 | Confident | 3 Ų | 3 | 69.2 Ų | 69.2 | 2% | 0.02 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -67.7 | 161.4 | 172.7 | -67.5 | 0 | 0 | 0 | 0 | 111.3 | D101 G102 S103 C147 | C99-D101 WeakPolarHBondContact CB-OD1 2.82Å; C99-D101 PolarHBondContact O-N 2.03Å; C99-D101 VanDerWaalsContact O-N 3.11Å; C99-G102 WeakPolarHBondContact O-CA 3.44Å; C99-G102 PolarHBondContact O-N 2.92Å; C99-S103 WeakPolarHBondContact CB-O 3.39Å; C99-S103 VanDerWaalsContact CB-OG 3.32Å; C99-S103 WeakPolarHBondContact CB-OG 3.07Å; C99-S103 PolarHBondContact N-O 3.27Å; C99-C147 WeakPolarHBondContact CA-SG 3.1Å; C99-C147 HydrophobicContact CB-CB 3.67Å; C99-C147 WeakPolarHBondContact CB-SG 3.39Å; C99-C147 WeakPolarHBondContact SG-CA 3.45Å; C99-C147 WeakPolarHBondContact SG-CB 3.44Å; C99-C147 CovalentContact SG-SG 2.04Å; C99-C147 PolarHBondContact SG-SG 2.79Å |
| 100 | P | 81.4 | Confident | 84.7 | Confident | 102 Ų | 102 | 72.8 Ų | 72.8 | 66% | 0.662 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -24.2 | -178.9 | -26.6 | 36.1 | 0 | 0 | 0 | 114.6 | G102 M136 | P100-G102 VanDerWaalsContact C-N 3.3Å; P100-M136 HydrophobicContact CG-CE 4.23Å; P100-M136 HydrophobicContact CG-CG 4.43Å |
| 101 | D | 82.7 | Confident | 83.6 | Confident | 78 Ų | 78 | 70 Ų | 70 | 42% | 0.417 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 1.2 | 174.3 | 69.8 | -33.7 | 0 | 0 | 0 | 113.5 | C99 S103 Y150 | C99-D101 WeakPolarHBondContact CB-OD1 2.82Å; C99-D101 PolarHBondContact O-N 2.03Å; C99-D101 VanDerWaalsContact O-N 3.11Å; D101-S103 VanDerWaalsContact C-N 3.29Å; D101-S103 VanDerWaalsContact CG-OG 3.25Å; D101-S103 PolarHBondContact O-N 2.77Å; D101-S103 WeakPolarHBondContact OD1-CB 2.94Å; D101-S103 PolarHBondContact OD1-N 3.06Å; D101-S103 VanDerWaalsContact OD1-N 3.13Å; D101-S103 PolarHBondContact OD1-OG 2.84Å; D101-S103 VanDerWaalsContact OD2-CB 3.28Å; D101-S103 WeakPolarHBondContact OD2-CB 3.39Å; D101-S103 PolarHBondContact OD2-OG 3.26Å; D101-S103 VanDerWaalsContact OD2-OG 3.05Å; D101-Y150 HydrophobicContact CB-CE2 4.31Å; D101-Y150 WeakPolarHBondContact OD2-CE2 3.45Å |
| 102 | G | 85.2 | Confident | 82.5 | Confident | 53 Ų | 53 | 65.3 Ų | 65.3 | 55% | 0.546 | 36% | 0.358 | S | S | . | . | S | Bend | trans | 82.2 | -1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | C99 P100 | C99-G102 WeakPolarHBondContact O-CA 3.44Å; C99-G102 PolarHBondContact O-N 2.92Å; P100-G102 VanDerWaalsContact C-N 3.3Å |
| 103 | S | 87.1 | Confident | 81 | Confident | 33 Ų | 33 | 67.3 Ų | 67.3 | 23% | 0.231 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -70.7 | 156.4 | 178.4 | 69.2 | 0 | 0 | 0 | 0 | 112.3 | C99 D101 | C99-S103 WeakPolarHBondContact CB-O 3.39Å; C99-S103 VanDerWaalsContact CB-OG 3.32Å; C99-S103 WeakPolarHBondContact CB-OG 3.07Å; C99-S103 PolarHBondContact N-O 3.27Å; D101-S103 VanDerWaalsContact C-N 3.29Å; D101-S103 VanDerWaalsContact CG-OG 3.25Å; D101-S103 PolarHBondContact O-N 2.77Å; D101-S103 WeakPolarHBondContact OD1-CB 2.94Å; D101-S103 PolarHBondContact OD1-N 3.06Å; D101-S103 VanDerWaalsContact OD1-N 3.13Å; D101-S103 PolarHBondContact OD1-OG 2.84Å; D101-S103 VanDerWaalsContact OD2-CB 3.28Å; D101-S103 WeakPolarHBondContact OD2-CB 3.39Å; D101-S103 PolarHBondContact OD2-OG 3.26Å; D101-S103 VanDerWaalsContact OD2-OG 3.05Å |
| 104 | I | 85.9 | Confident | 79.3 | Confident | 103 Ų | 103 | 66.2 Ų | 66.2 | 53% | 0.528 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -81.6 | 125.7 | 174.2 | -61.1 | 173.8 | 0 | 0 | 0 | 108.2 | Y89 | Y89-I104 WeakPolarHBondContact OH-CG2 3.2Š|
| 105 | P | 86.9 | Confident | 77.1 | Confident | 6 Ų | 6 | 69.2 Ų | 69.2 | 4% | 0.039 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 146.9 | 178.4 | 29.3 | -37.7 | 0 | 0 | 0 | 112 | V96 A97 H145 | V96-P105 HydrophobicContact CG1-CG 3.35Å; A97-P105 WeakPolarHBondContact O-CD 3.26Å; A97-P105 VanDerWaalsContact O-CG 3.29Å; A97-P105 WeakPolarHBondContact O-CG 3.37Å; P105-H145 HydrophobicContact CB-CB 3.53Å; P105-H145 HydrophobicContact CG-CB 3.84Å |
| 106 | R | 76.4 | Confident | 74.8 | Confident | 218 Ų | 218 | 74.4 Ų | 74.4 | 82% | 0.823 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -81.1 | -36 | -177.9 | -70.6 | -167.3 | 174 | -157.3 | -1 | 113.2 | ||
| 107 | S | 82.7 | Confident | 72.6 | Confident | 52 Ų | 52 | 79.1 Ų | 79.1 | 36% | 0.364 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -151.7 | 163.2 | -175.3 | 55.2 | 0 | 0 | 0 | 0 | 111.2 | C146 | S107-C146 PolarHBondContact O-N 3.21Š|
| 108 | T | 81.9 | Confident | 70.6 | Confident | 89 Ų | 89 | 85.2 Ų | 85.2 | 55% | 0.546 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 151.6 | 166.7 | 51.5 | 0 | 0 | 0 | 0 | 110.2 | I143 G144 | T108-I143 HydrophobicContact CG2-CG2 4.45Å; T108-G144 CarbonylContact C-O 3.44Å; T108-G144 WeakPolarHBondContact CA-O 3.46Å |
| 109 | C | 81.2 | Confident | 68.6 | Low | 4 Ų | 4 | 83.1 Ų | 83.1 | 3% | 0.027 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 163.5 | 174.8 | 50.1 | 0 | 0 | 0 | 0 | 112.1 | T128 C129 C135 I143 G144 H145 C146 | C109-T128 VanDerWaalsContact CA-OG1 3.28Å; C109-T128 WeakPolarHBondContact CA-OG1 3.3Å; C109-C129 WeakPolarHBondContact CB-SG 3.34Å; C109-C135 HydrophobicContact CB-CB 3.74Å; C109-C135 WeakPolarHBondContact CB-SG 3.21Å; C109-C135 WeakPolarHBondContact SG-CA 3.38Å; C109-C135 WeakPolarHBondContact SG-CB 3Å; C109-C135 CovalentContact SG-SG 2.02Å; C109-C135 PolarHBondContact SG-SG 3.41Å; C109-I143 CarbonylContact O-C 3.58Å; C109-I143 WeakPolarHBondContact O-CA 3.4Å; C109-G144 PolarHBondContact N-O 3.05Å; C109-G144 PolarHBondContact O-N 3.39Å; C109-G144 VanDerWaalsContact SG-CA 3.55Å; C109-G144 PolarHBondContact SG-O 3.17Å; C109-H145 PolarHBondContact SG-N 3.09Å; C109-C146 VanDerWaalsContact CB-SG 3.51Å |
| 110 | R | 76.8 | Confident | 66.7 | Low | 158 Ų | 158 | 85.7 Ų | 85.7 | 60% | 0.596 | 47% | 0.468 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 150.4 | 172.9 | -161.2 | 174.8 | -177.7 | 177.3 | 0.7 | 110.1 | D127 T128 N142 | R110-D127 WeakPolarHBondContact O-CA 2.94Å; R110-T128 HydrophobicContact CB-CG2 4.31Å; R110-T128 PolarHBondContact N-OG1 2.97Å; R110-T128 PolarHBondContact O-N 3.33Å; R110-N142 WeakPolarHBondContact CA-O 3.4Å |
| 111 | K | 68.5 | Low | 65 | Low | 35 Ų | 35 | 83.6 Ų | 83.6 | 15% | 0.152 | 45% | 0.451 | C | S | . | . | B | Isolated β-bridge | trans | -70.1 | 130.5 | 168.4 | -163.1 | 178.4 | -165.4 | 174.5 | 0 | 110.2 | L113 Y138 N142 | K111-L113 WeakPolarHBondContact CD-O 3.28Å; K111-L113 WeakPolarHBondContact CE-O 3.36Å; K111-L113 WeakPolarHBondContact CG-O 3.41Å; K111-Y138 HydrophobicContact CB-CE1 4.27Å; K111-N142 HydrophobicContact CB-CB 4.1Å; K111-N142 PolarHBondContact N-O 3.5Å |
| 112 | T | 64 | Low | 63.1 | Low | 53 Ų | 53 | 86.3 Ų | 86.3 | 33% | 0.325 | 46% | 0.459 | S | S | . | . | trans | -90 | -22.4 | -177.1 | -47.3 | 0 | 0 | 0 | 0 | 112.5 | V2 M126 | V2-T112 HydrophobicContact CB-CG2 4.47Å; T112-M126 PolarHBondContact N-O 3.41Å | ||
| 113 | L | 55.2 | Low | 61.2 | Low | 94 Ų | 94 | 87 Ų | 87 | 49% | 0.492 | 45% | 0.453 | S | S | . | . | trans | -146.7 | 148.2 | 177.1 | -105.5 | 106.1 | 0 | 0 | 0 | 114.5 | K111 | K111-L113 WeakPolarHBondContact CD-O 3.28Å; K111-L113 WeakPolarHBondContact CE-O 3.36Å; K111-L113 WeakPolarHBondContact CG-O 3.41Å | ||
| 114 | Q | 48.5 | Very low | 59.5 | Low | 157 Ų | 157 | 89.8 Ų | 89.8 | 73% | 0.734 | 46% | 0.462 | S | S | * | . | trans | -82.6 | 126.8 | 163.9 | -75.5 | 171.5 | -24.2 | 0 | 0 | 108.4 | L116 | Q114-L116 PolarHBondContact O-N 3.48Š| ||
| 115 | L | 41.1 | Very low | 58 | Low | 130 Ų | 130 | 87.9 Ų | 87.9 | 68% | 0.681 | 46% | 0.456 | S | S | * | . | trans | -9.1 | 102.9 | 169.4 | -69.8 | 136.9 | 0 | 0 | 0 | 114.8 | ||||
| 116 | L | 41.2 | Very low | 56.8 | Low | 113 Ų | 113 | 89 Ų | 89 | 59% | 0.592 | 46% | 0.461 | S | S | * | . | trans | -86.4 | 122.1 | 139.8 | -74.9 | 163.3 | 0 | 0 | 0 | 105.1 | Q114 D118 A119 | Q114-L116 PolarHBondContact O-N 3.48Å; L116-D118 PolarHBondContact O-N 3.25Å; L116-A119 HydrophobicContact CB-CB 3.86Å; L116-A119 PolarHBondContact O-N 2.88Å | ||
| 117 | P | 42.3 | Very low | 56.6 | Low | 108 Ų | 108 | 79.2 Ų | 79.2 | 70% | 0.701 | 43% | 0.425 | S | S | * | . | G | 310 helix | trans | -49.7 | -33.5 | 179.3 | -26.7 | 33.4 | 0 | 0 | 0 | 112.8 | ||
| 118 | D | 41.4 | Very low | 56.4 | Low | 136 Ų | 136 | 80.3 Ų | 80.3 | 73% | 0.727 | 43% | 0.429 | S | S | * | . | G | 310 helix | trans | -85.6 | -11.5 | -178.7 | -62.2 | -34.9 | 0 | 0 | 0 | 114.3 | L116 F122 | L116-D118 PolarHBondContact O-N 3.25Å; D118-F122 VanDerWaalsContact O-CD2 3.28Å; D118-F122 WeakPolarHBondContact O-CD2 3.38Å |
| 119 | A | 44.5 | Very low | 56.4 | Low | 21 Ų | 21 | 76.7 Ų | 76.7 | 17% | 0.174 | 41% | 0.408 | C | S | . | . | G | 310 helix | trans | -80.5 | -16.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | L116 D121 F122 V123 | L116-A119 HydrophobicContact CB-CB 3.86Å; L116-A119 PolarHBondContact O-N 2.88Å; A119-D121 PolarHBondContact O-N 2.9Å; A119-F122 PolarHBondContact O-N 3.5Å; A119-F122 VanDerWaalsContact O-N 3.09Å; A119-V123 HydrophobicContact CB-CG2 4.46Å; A119-V123 PolarHBondContact O-N 3.14Å |
| 120 | A | 46.2 | Very low | 56.4 | Low | 57 Ų | 57 | 79.7 Ų | 79.7 | 47% | 0.471 | 43% | 0.427 | S | S | . | . | G | 310 helix | trans | -62.2 | -24 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 121 | D | 45.5 | Very low | 56.6 | Low | 58 Ų | 58 | 77.9 Ų | 77.9 | 31% | 0.31 | 43% | 0.434 | S | S | . | . | G | 310 helix | trans | -88 | -13.9 | 177.9 | -102 | -6.2 | 0 | 0 | 0 | 113.4 | A119 K164 K191 | A119-D121 PolarHBondContact O-N 2.9Å; D121-K164 IonicContact OD2-NZ 2.81Å; D121-K164 PolarHBondContact OD2-NZ 2.69Å; D121-K191 IonicContact OD1-NZ 3.2Å; D121-K191 PolarHBondContact OD1-NZ 3.44Å |
| 122 | F | 43.4 | Very low | 57.2 | Low | 134 Ų | 134 | 77 Ų | 77 | 59% | 0.588 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.3 | -23.4 | -168.6 | -68.5 | -83.4 | 0 | 0 | 0 | 115.6 | D118 A119 | D118-F122 VanDerWaalsContact O-CD2 3.28Å; D118-F122 WeakPolarHBondContact O-CD2 3.38Å; A119-F122 PolarHBondContact O-N 3.5Å; A119-F122 VanDerWaalsContact O-N 3.09Å |
| 123 | V | 45.1 | Very low | 58.3 | Low | 68 Ų | 68 | 75.9 Ų | 75.9 | 41% | 0.412 | 43% | 0.426 | S | S | . | . | trans | -107.6 | 109.2 | -174.3 | -174 | 0 | 0 | 0 | 0 | 110 | A119 T125 M126 | A119-V123 HydrophobicContact CB-CG2 4.46Å; A119-V123 PolarHBondContact O-N 3.14Å; V123-T125 WeakPolarHBondContact CG1-O 3.5Å; V123-T125 PolarHBondContact O-N 2.03Å; V123-M126 HydrophobicContact CB-CG 4.25Å; V123-M126 HydrophobicContact CG1-CG 4.02Å | ||
| 124 | Q | 51.2 | Low | 59.6 | Low | 91 Ų | 91 | 71.6 Ų | 71.6 | 43% | 0.425 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -61.8 | -26.9 | 178.1 | -75.3 | -167.2 | -17.3 | 0 | 0 | 113.3 | S161 | Q124-S161 VanDerWaalsContact NE2-CA 3.34Å; Q124-S161 PolarHBondContact NE2-OG 3.11Å |
| 125 | T | 53.7 | Low | 61.2 | Low | 64 Ų | 64 | 64.1 Ų | 64.1 | 39% | 0.393 | 37% | 0.368 | S | S | . | . | trans | -145.6 | 110.1 | 178.5 | 50.3 | 0 | 0 | 0 | 0 | 111.5 | V123 D127 | V123-T125 WeakPolarHBondContact CG1-O 3.5Å; V123-T125 PolarHBondContact O-N 2.03Å; T125-D127 PolarHBondContact O-N 2.94Å | ||
| 126 | M | 62.7 | Low | 63.1 | Low | 29 Ų | 29 | 58.8 Ų | 58.8 | 14% | 0.143 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -86.8 | 24.8 | 172.1 | -74.9 | -162.4 | -75.7 | 0 | 0 | 112.5 | T112 V123 | T112-M126 PolarHBondContact N-O 3.41Å; V123-M126 HydrophobicContact CB-CG 4.25Å; V123-M126 HydrophobicContact CG1-CG 4.02Å |
| 127 | D | 72 | Confident | 64.3 | Low | 13 Ų | 13 | 56 Ų | 56 | 7% | 0.07 | 33% | 0.328 | C | S | . | . | B | Isolated β-bridge | trans | -135.6 | 176.5 | -172.6 | 62.2 | 44.4 | 0 | 0 | 0 | 112.7 | R110 T125 C129 C135 | R110-D127 WeakPolarHBondContact O-CA 2.94Å; T125-D127 PolarHBondContact O-N 2.94Å; D127-C129 VanDerWaalsContact C-N 3.31Å; D127-C129 VanDerWaalsContact OD1-CB 3.23Å; D127-C129 WeakPolarHBondContact OD1-CB 3.37Å; D127-C129 PolarHBondContact OD1-N 3.38Å; D127-C135 HydrophobicContact CB-CB 3.37Å; D127-C135 VanDerWaalsContact OD2-CB 3.32Å; D127-C135 WeakPolarHBondContact OD2-CB 2.98Å; D127-C135 PolarHBondContact OD2-N 2.83Å |
| 128 | T | 77.2 | Confident | 65.4 | Low | 74 Ų | 74 | 53 Ų | 53 | 45% | 0.454 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -91 | 13.6 | 178 | 60.9 | 0 | 0 | 0 | 0 | 113 | C109 R110 | C109-T128 VanDerWaalsContact CA-OG1 3.28Å; C109-T128 WeakPolarHBondContact CA-OG1 3.3Å; R110-T128 HydrophobicContact CB-CG2 4.31Å; R110-T128 PolarHBondContact N-OG1 2.97Å; R110-T128 PolarHBondContact O-N 3.33Å |
| 129 | C | 81.9 | Confident | 66.5 | Low | 14 Ų | 14 | 47.1 Ų | 47.1 | 10% | 0.095 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -79.1 | 149.5 | -176.9 | -67.9 | 0 | 0 | 0 | 0 | 112.1 | C109 D127 Q133 C146 | C109-C129 WeakPolarHBondContact CB-SG 3.34Å; D127-C129 VanDerWaalsContact C-N 3.31Å; D127-C129 VanDerWaalsContact OD1-CB 3.23Å; D127-C129 WeakPolarHBondContact OD1-CB 3.37Å; D127-C129 PolarHBondContact OD1-N 3.38Å; C129-Q133 HydrophobicContact CB-CB 3.96Å; C129-C146 WeakPolarHBondContact CA-SG 3.47Å; C129-C146 HydrophobicContact CB-CB 3.91Å; C129-C146 WeakPolarHBondContact CB-SG 3Å; C129-C146 WeakPolarHBondContact SG-CA 3.47Å; C129-C146 WeakPolarHBondContact SG-CB 3.5Å; C129-C146 CovalentContact SG-SG 2.05Å; C129-C146 PolarHBondContact SG-SG 2.75Å |
| 130 | P | 82.8 | Confident | 67.5 | Low | 66 Ų | 66 | 51.9 Ų | 51.9 | 43% | 0.429 | 29% | 0.291 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 159.9 | 172.6 | 30.5 | -35.3 | 0 | 0 | 0 | 110.7 | G132 Q133 | P130-G132 PolarHBondContact O-N 3.2Å; P130-Q133 HydrophobicContact CG-CB 4.29Å; P130-Q133 HydrophobicContact CG-CG 4.24Å; P130-Q133 VanDerWaalsContact CG-OE1 3.32Å; P130-Q133 WeakPolarHBondContact O-CB 3.28Å; P130-Q133 PolarHBondContact O-N 2.03Å |
| 131 | T | 80.8 | Confident | 68.3 | Low | 121 Ų | 121 | 53.7 Ų | 53.7 | 74% | 0.742 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | 135.2 | 176.3 | -48.4 | 0 | 0 | 0 | 0 | 111.4 | Q133 L158 | T131-Q133 VanDerWaalsContact C-N 3.32Å; T131-L158 HydrophobicContact CG2-CB 4.08Å; T131-L158 HydrophobicContact CG2-CD1 4.07Å; T131-L158 HydrophobicContact CG2-CD2 4.5Å; T131-L158 HydrophobicContact CG2-CG 4.43Å |
| 132 | G | 81.4 | Confident | 69.5 | Low | 17 Ų | 17 | 54.6 Ų | 54.6 | 18% | 0.175 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.9 | 4.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | P130 I149 | P130-G132 PolarHBondContact O-N 3.2Å; G132-I149 PolarHBondContact O-N 2.99Å |
| 133 | Q | 86.2 | Confident | 71 | Confident | 28 Ų | 28 | 50.7 Ų | 50.7 | 13% | 0.131 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 153.5 | 171.4 | -63.9 | 176.2 | 12.7 | 0 | 0 | 110.3 | C129 P130 T131 C146 C147 | C129-Q133 HydrophobicContact CB-CB 3.96Å; P130-Q133 HydrophobicContact CG-CB 4.29Å; P130-Q133 HydrophobicContact CG-CG 4.24Å; P130-Q133 VanDerWaalsContact CG-OE1 3.32Å; P130-Q133 WeakPolarHBondContact O-CB 3.28Å; P130-Q133 PolarHBondContact O-N 2.03Å; T131-Q133 VanDerWaalsContact C-N 3.32Å; Q133-C146 HydrophobicContact CB-CB 4.2Å; Q133-C147 CarbonylContact C-O 3.55Å; Q133-C147 WeakPolarHBondContact CA-O 3.16Å; Q133-C147 WeakPolarHBondContact CB-O 3.23Å |
| 134 | M | 83.5 | Confident | 72.9 | Confident | 5 Ų | 5 | 47.5 Ų | 47.5 | 3% | 0.025 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 147.1 | 173.1 | -176.8 | 169.6 | 67.3 | 0 | 0 | 109.1 | M136 C147 I149 V183 N188 A190 | M134-M136 HydrophobicContact CE-CE 3.32Å; M134-M136 HydrophobicContact CE-SD 3.64Å; M134-M136 PolarHBondContact O-N 2.83Å; M134-M136 VanDerWaalsContact O-N 3.17Å; M134-C147 PolarHBondContact N-O 2.86Å; M134-C147 PolarHBondContact O-N 3.39Å; M134-I149 HydrophobicContact CB-CG2 3.43Å; M134-I149 VanDerWaalsContact CB-CG2 3.43Å; M134-V183 HydrophobicContact CE-CB 4.44Å; M134-V183 HydrophobicContact CE-CG1 3.75Å; M134-N188 HydrophobicContact SD-CB 4.2Å; M134-A190 HydrophobicContact SD-CB 3.82Å |
| 135 | C | 81.3 | Confident | 74.6 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 110.1 | 175.6 | -164.1 | 0 | 0 | 0 | 0 | 110 | C109 D127 Y138 | C109-C135 HydrophobicContact CB-CB 3.74Å; C109-C135 WeakPolarHBondContact CB-SG 3.21Å; C109-C135 WeakPolarHBondContact SG-CA 3.38Å; C109-C135 WeakPolarHBondContact SG-CB 3Å; C109-C135 CovalentContact SG-SG 2.02Å; C109-C135 PolarHBondContact SG-SG 3.41Å; D127-C135 HydrophobicContact CB-CB 3.37Å; D127-C135 VanDerWaalsContact OD2-CB 3.32Å; D127-C135 WeakPolarHBondContact OD2-CB 2.98Å; D127-C135 PolarHBondContact OD2-N 2.83Å; C135-Y138 HydrophobicContact CB-CE1 4.44Å; C135-Y138 WeakPolarHBondContact CB-OH 3.32Å; C135-Y138 WeakPolarHBondContact SG-CE1 3Å; C135-Y138 PolarHBondContact SG-OH 3.48Å; C135-Y138 VanDerWaalsContact SG-OH 3.36Å |
| 136 | M | 80.3 | Confident | 76.1 | Confident | 18 Ų | 18 | 40.4 Ų | 40.4 | 9% | 0.089 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 167.4 | 178.5 | -64.5 | -64.4 | -154.8 | 0 | 0 | 110 | P100 M134 G144 H145 C147 V183 S185 | P100-M136 HydrophobicContact CG-CE 4.23Å; P100-M136 HydrophobicContact CG-CG 4.43Å; M134-M136 HydrophobicContact CE-CE 3.32Å; M134-M136 HydrophobicContact CE-SD 3.64Å; M134-M136 PolarHBondContact O-N 2.83Å; M134-M136 VanDerWaalsContact O-N 3.17Å; M136-G144 CarbonylContact O-C 3.35Å; M136-G144 VanDerWaalsContact O-CA 3.25Å; M136-G144 WeakPolarHBondContact O-CA 3.35Å; M136-H145 PolarHBondContact N-O 3.5Å; M136-H145 PolarHBondContact O-N 3.45Å; M136-C147 HydrophobicContact CB-CB 3.95Å; M136-C147 HydrophobicContact CG-CB 3.56Å; M136-V183 HydrophobicContact CE-CG1 4.33Å; M136-S185 VanDerWaalsContact SD-CB 3.57Å |
| 137 | T | 67.7 | Low | 77.3 | Confident | 55 Ų | 55 | 39 Ų | 39 | 34% | 0.337 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 49.2 | 83 | 171.1 | 47.3 | 0 | 0 | 0 | 0 | 112.7 | F74 A97 G144 | F74-T137 WeakPolarHBondContact CE1-O 3.34Å; F74-T137 WeakPolarHBondContact CZ-O 3.29Å; A97-T137 HydrophobicContact CB-CG2 4.24Å; T137-G144 VanDerWaalsContact O-CA 3.31Å; T137-G144 WeakPolarHBondContact O-CA 3.47Å |
| 138 | Y | 64.6 | Low | 78 | Confident | 43 Ų | 43 | 40 Ų | 40 | 17% | 0.169 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 123 | -177.4 | -74.4 | -82 | 0 | 0 | 0 | 113.2 | K111 C135 N142 F187 N188 | K111-Y138 HydrophobicContact CB-CE1 4.27Å; C135-Y138 HydrophobicContact CB-CE1 4.44Å; C135-Y138 WeakPolarHBondContact CB-OH 3.32Å; C135-Y138 WeakPolarHBondContact SG-CE1 3Å; C135-Y138 PolarHBondContact SG-OH 3.48Å; C135-Y138 VanDerWaalsContact SG-OH 3.36Å; Y138-N142 HydrophobicContact CD1-CB 4.4Å; Y138-F187 HydrophobicContact CD2-CB 4.43Å; Y138-F187 AromaticContact CD2-CD2 3.59Å; Y138-F187 HydrophobicContact CD2-CD2 3.59Å; Y138-F187 HydrophobicContact CD2-CE2 4.34Å; Y138-F187 HydrophobicContact CD2-CG 4.42Å; Y138-F187 HydrophobicContact CE2-CB 4.31Å; Y138-F187 HydrophobicContact CE2-CD2 4.28Å; Y138-F187 HydrophobicContact CG-CD2 4.22Å; Y138-N188 WeakPolarHBondContact CE2-ND2 3.31Å; Y138-N188 PolarHBondContact OH-ND2 2.98Å |
| 139 | G | 64.6 | Low | 78.4 | Confident | 13 Ų | 13 | 37 Ų | 37 | 13% | 0.134 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | -175.9 | 165.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | P141 N142 I143 | G139-P141 CarbonylContact O-C 3.53Å; G139-N142 PolarHBondContact O-N 3.17Å; G139-I143 WeakPolarHBondContact CA-O 3.37Å; G139-I143 PolarHBondContact N-O 3.45Å; G139-I143 PolarHBondContact O-N 3.45Å |
| 140 | K | 66.3 | Low | 78.7 | Confident | 122 Ų | 122 | 41.1 Ų | 41.1 | 53% | 0.53 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | 133.8 | -169.8 | -62.6 | -179.8 | -175.5 | 175 | 0 | 113.3 | D67 | D67-K140 IonicContact OD2-NZ 3.13Å; D67-K140 PolarHBondContact OD2-NZ 3.4Å |
| 141 | P | 61.2 | Low | 79 | Confident | 94 Ų | 94 | 38.5 Ų | 38.5 | 61% | 0.61 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -90.1 | 123.5 | -39.6 | 32.8 | -25 | 0 | 0 | 0 | 110.6 | G139 I143 | G139-P141 CarbonylContact O-C 3.53Å; P141-I143 PolarHBondContact O-N 3.32Å |
| 142 | N | 71.1 | Confident | 79.3 | Confident | 78 Ų | 78 | 35.9 Ų | 35.9 | 42% | 0.417 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.1 | 27.7 | 176.2 | -49.3 | -64.7 | 0 | 0 | 0 | 114.8 | R110 K111 Y138 G139 | R110-N142 WeakPolarHBondContact CA-O 3.4Å; K111-N142 HydrophobicContact CB-CB 4.1Å; K111-N142 PolarHBondContact N-O 3.5Å; Y138-N142 HydrophobicContact CD1-CB 4.4Å; G139-N142 PolarHBondContact O-N 3.17Å |
| 143 | I | 76.4 | Confident | 79.6 | Confident | 52 Ų | 52 | 39.9 Ų | 39.9 | 27% | 0.267 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 114.6 | 170.6 | -59.6 | 174.5 | 0 | 0 | 0 | 107.2 | A73 F74 T108 C109 G139 P141 | A73-I143 HydrophobicContact CB-CB 3.92Å; A73-I143 HydrophobicContact CB-CD1 4.29Å; A73-I143 HydrophobicContact CB-CG2 3.58Å; F74-I143 VanDerWaalsContact CZ-O 3.25Å; F74-I143 WeakPolarHBondContact CZ-O 3.47Å; T108-I143 HydrophobicContact CG2-CG2 4.45Å; C109-I143 CarbonylContact O-C 3.58Å; C109-I143 WeakPolarHBondContact O-CA 3.4Å; G139-I143 WeakPolarHBondContact CA-O 3.37Å; G139-I143 PolarHBondContact N-O 3.45Å; G139-I143 PolarHBondContact O-N 3.45Å; P141-I143 PolarHBondContact O-N 3.32Å |
| 144 | G | 84.5 | Confident | 79.6 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | -169 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | T108 C109 M136 T137 | T108-G144 CarbonylContact C-O 3.44Å; T108-G144 WeakPolarHBondContact CA-O 3.46Å; C109-G144 PolarHBondContact N-O 3.05Å; C109-G144 PolarHBondContact O-N 3.39Å; C109-G144 VanDerWaalsContact SG-CA 3.55Å; C109-G144 PolarHBondContact SG-O 3.17Å; M136-G144 CarbonylContact O-C 3.35Å; M136-G144 VanDerWaalsContact O-CA 3.25Å; M136-G144 WeakPolarHBondContact O-CA 3.35Å; T137-G144 VanDerWaalsContact O-CA 3.31Å; T137-G144 WeakPolarHBondContact O-CA 3.47Å |
| 145 | H | 86.2 | Confident | 79.9 | Confident | 5 Ų | 5 | 47.1 Ų | 47.1 | 2% | 0.023 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 138.7 | 166.4 | -72.7 | -63.9 | 0 | 0 | 0 | 111.4 | F74 A97 P105 C109 M136 C147 | F74-H145 AromaticContact CD2-NE2 3.38Å; F74-H145 WeakPolarHBondContact CD2-NE2 3.2Å; F74-H145 AromaticContact CE2-CD2 3.36Å; F74-H145 WeakPolarHBondContact CE2-CD2 3.07Å; F74-H145 AromaticContact CE2-CE1 3.81Å; F74-H145 AromaticContact CE2-NE2 3.03Å; F74-H145 WeakPolarHBondContact CE2-NE2 3.22Å; F74-H145 AromaticContact CZ-CD2 3.66Å; F74-H145 AromaticContact CZ-NE2 3.83Å; A97-H145 PolarHBondContact N-CD2 3.23Å; A97-H145 PolarHBondContact N-NE2 2.95Å; A97-H145 VanDerWaalsContact N-NE2 3.12Å; P105-H145 HydrophobicContact CB-CB 3.53Å; P105-H145 HydrophobicContact CG-CB 3.84Å; C109-H145 PolarHBondContact SG-N 3.09Å; M136-H145 PolarHBondContact N-O 3.5Å; M136-H145 PolarHBondContact O-N 3.45Å; H145-C147 PolarHBondContact O-N 3.4Å |
| 146 | C | 86 | Confident | 80.3 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.007 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 114.5 | 171.8 | -66.9 | 0 | 0 | 0 | 0 | 109.7 | S107 C109 C129 Q133 | S107-C146 PolarHBondContact O-N 3.21Å; C109-C146 VanDerWaalsContact CB-SG 3.51Å; C129-C146 WeakPolarHBondContact CA-SG 3.47Å; C129-C146 HydrophobicContact CB-CB 3.91Å; C129-C146 WeakPolarHBondContact CB-SG 3Å; C129-C146 WeakPolarHBondContact SG-CA 3.47Å; C129-C146 WeakPolarHBondContact SG-CB 3.5Å; C129-C146 CovalentContact SG-SG 2.05Å; C129-C146 PolarHBondContact SG-SG 2.75Å; Q133-C146 HydrophobicContact CB-CB 4.2Å |
| 147 | C | 86.5 | Confident | 80.8 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 143.6 | 178.5 | -71.6 | 0 | 0 | 0 | 0 | 110.4 | C99 Q133 M134 M136 H145 | C99-C147 WeakPolarHBondContact CA-SG 3.1Å; C99-C147 HydrophobicContact CB-CB 3.67Å; C99-C147 WeakPolarHBondContact CB-SG 3.39Å; C99-C147 WeakPolarHBondContact SG-CA 3.45Å; C99-C147 WeakPolarHBondContact SG-CB 3.44Å; C99-C147 CovalentContact SG-SG 2.04Å; C99-C147 PolarHBondContact SG-SG 2.79Å; Q133-C147 CarbonylContact C-O 3.55Å; Q133-C147 WeakPolarHBondContact CA-O 3.16Å; Q133-C147 WeakPolarHBondContact CB-O 3.23Å; M134-C147 PolarHBondContact N-O 2.86Å; M134-C147 PolarHBondContact O-N 3.39Å; M136-C147 HydrophobicContact CB-CB 3.95Å; M136-C147 HydrophobicContact CG-CB 3.56Å; H145-C147 PolarHBondContact O-N 3.4Å |
| 148 | P | 87.1 | Confident | 81.7 | Confident | 34 Ų | 34 | 50.6 Ų | 50.6 | 22% | 0.221 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 145.6 | 175.3 | 28 | -34.6 | 0 | 0 | 0 | 110.6 | Y150 | P148-Y150 HydrophobicContact CB-CE1 4.36Å; P148-Y150 HydrophobicContact CB-CE2 3.68Å; P148-Y150 WeakPolarHBondContact CB-OH 3.36Å; P148-Y150 HydrophobicContact CG-CE2 3.55Å; P148-Y150 WeakPolarHBondContact CG-OH 3.32Å |
| 149 | I | 86.1 | Confident | 82.9 | Confident | 12 Ų | 12 | 52.3 Ų | 52.3 | 6% | 0.062 | 29% | 0.288 | C | S | . | . | trans | -107.6 | 139.9 | 172.9 | 66.6 | -154.7 | 0 | 0 | 0 | 109.5 | G132 M134 L192 | G132-I149 PolarHBondContact O-N 2.99Å; M134-I149 HydrophobicContact CB-CG2 3.43Å; M134-I149 VanDerWaalsContact CB-CG2 3.43Å; I149-L192 HydrophobicContact CB-CD1 3.94Å; I149-L192 HydrophobicContact CD1-CD1 4.37Å; I149-L192 HydrophobicContact CD1-CD2 3.52Å; I149-L192 HydrophobicContact CG1-CD1 3.87Å; I149-L192 HydrophobicContact CG1-CD2 3.93Å | ||
| 150 | Y | 87.2 | Confident | 84.1 | Confident | 99 Ų | 99 | 54.5 Ų | 54.5 | 39% | 0.388 | 29% | 0.294 | S | S | . | . | trans | -127.1 | 149.4 | -174 | -62.2 | -74.7 | 0 | 0 | 0 | 111.3 | D101 P148 | D101-Y150 HydrophobicContact CB-CE2 4.31Å; D101-Y150 WeakPolarHBondContact OD2-CE2 3.45Å; P148-Y150 HydrophobicContact CB-CE1 4.36Å; P148-Y150 HydrophobicContact CB-CE2 3.68Å; P148-Y150 WeakPolarHBondContact CB-OH 3.36Å; P148-Y150 HydrophobicContact CG-CE2 3.55Å; P148-Y150 WeakPolarHBondContact CG-OH 3.32Å | ||
| 151 | C | 90.6 | Very high | 85.1 | Confident | 11 Ų | 11 | 49.7 Ų | 49.7 | 7% | 0.074 | 28% | 0.276 | C | S | . | . | trans | -83.1 | 156 | 163.9 | -73.1 | 0 | 0 | 0 | 0 | 110 | Y153 G154 P156 C194 | C151-Y153 PolarHBondContact O-N 2.72Å; C151-Y153 VanDerWaalsContact O-N 3.16Å; C151-G154 WeakPolarHBondContact CB-O 3.31Å; C151-P156 WeakPolarHBondContact SG-CA 3.02Å; C151-C194 VanDerWaalsContact CA-SG 3.56Å; C151-C194 HydrophobicContact CB-CB 3.63Å; C151-C194 WeakPolarHBondContact CB-SG 3.36Å; C151-C194 WeakPolarHBondContact SG-CA 3.25Å; C151-C194 WeakPolarHBondContact SG-CB 3.39Å; C151-C194 CovalentContact SG-SG 2.02Å; C151-C194 PolarHBondContact SG-SG 2.84Å | ||
| 152 | P | 87.3 | Confident | 86.4 | Confident | 67 Ų | 67 | 45.8 Ų | 45.8 | 44% | 0.435 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -57.5 | -29.4 | 173.6 | -25.3 | 34.9 | 0 | 0 | 0 | 112.9 | F179 | P152-F179 HydrophobicContact CG-CZ 4.12Š|
| 153 | Y | 86.9 | Confident | 87 | Confident | 100 Ų | 100 | 43 Ų | 43 | 39% | 0.392 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -131.3 | 95.7 | -179.9 | -49.8 | -74.8 | 0 | 0 | 0 | 109.7 | C151 P197 F205 | C151-Y153 PolarHBondContact O-N 2.72Å; C151-Y153 VanDerWaalsContact O-N 3.16Å; Y153-P197 HydrophobicContact CD1-CB 3.91Å; Y153-P197 HydrophobicContact CD1-CG 4.08Å; Y153-P197 HydrophobicContact CD2-CB 4.02Å; Y153-P197 VanDerWaalsContact CD2-CD 3.44Å; Y153-P197 HydrophobicContact CD2-CG 3.53Å; Y153-P197 HydrophobicContact CE1-CB 4.39Å; Y153-P197 HydrophobicContact CE1-CG 4.19Å; Y153-P197 HydrophobicContact CE2-CB 4.47Å; Y153-P197 HydrophobicContact CE2-CG 3.63Å; Y153-P197 HydrophobicContact CG-CB 3.7Å; Y153-P197 HydrophobicContact CG-CG 3.75Å; Y153-F205 AromaticContact CD1-CD1 3.93Å; Y153-F205 HydrophobicContact CD1-CD1 3.93Å; Y153-F205 AromaticContact CD1-CE1 3.91Å; Y153-F205 HydrophobicContact CD1-CE1 3.91Å; Y153-F205 AromaticContact CE1-CD1 3.4Å; Y153-F205 HydrophobicContact CE1-CD1 3.4Å; Y153-F205 AromaticContact CE1-CE1 3.73Å; Y153-F205 HydrophobicContact CE1-CE1 3.73Å; Y153-F205 HydrophobicContact CE1-CG 4.33Å |
| 154 | G | 86.5 | Confident | 87.2 | Confident | 51 Ų | 51 | 47.9 Ų | 47.9 | 53% | 0.526 | 26% | 0.258 | S | S | . | . | S | Bend | trans | 81 | -155.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | C151 | C151-G154 WeakPolarHBondContact CB-O 3.31Š|
| 155 | Q | 88.5 | Confident | 87 | Confident | 135 Ų | 135 | 50.8 Ų | 50.8 | 63% | 0.631 | 29% | 0.287 | S | S | * | . | trans | -92.1 | 147.8 | -174.3 | -63.7 | -60.7 | -46.8 | 0 | 0 | 111.6 | ||||
| 156 | P | 90.5 | Very high | 86.8 | Confident | 15 Ų | 15 | 50.9 Ų | 50.9 | 10% | 0.097 | 29% | 0.289 | C | S | . | . | trans | -67.6 | 141.3 | 172.5 | 28.4 | -33.8 | 0 | 0 | 0 | 111.9 | C151 L158 L192 | C151-P156 WeakPolarHBondContact SG-CA 3.02Å; P156-L158 HydrophobicContact CB-CD2 4.08Å; P156-L158 HydrophobicContact CG-CD2 3.97Å; P156-L158 HydrophobicContact CG-CG 4.33Å; P156-L158 PolarHBondContact O-N 3.16Å; P156-L192 HydrophobicContact CB-CB 4.24Å; P156-L192 HydrophobicContact CB-CD1 4.35Å | ||
| 157 | D | 91.4 | Very high | 86.9 | Confident | 49 Ų | 49 | 54.3 Ų | 54.3 | 26% | 0.262 | 31% | 0.311 | S | S | . | . | trans | -81.5 | 97.3 | 167.6 | -173.5 | -8.9 | 0 | 0 | 0 | 109.4 | S159 K160 C193 | D157-S159 PolarHBondContact O-N 2.63Å; D157-S159 WeakPolarHBondContact OD1-CB 2.99Å; D157-S159 PolarHBondContact OD1-N 2.92Å; D157-S159 PolarHBondContact OD1-OG 2.58Å; D157-S159 PolarHBondContact OD2-OG 2.85Å; D157-K160 HydrophobicContact CB-CG 4.39Å; D157-K160 PolarHBondContact O-N 3.06Å; D157-K160 VanDerWaalsContact OD2-CG 3.26Å; D157-K160 WeakPolarHBondContact OD2-CG 3.19Å; D157-C193 HydrophobicContact CB-CB 4.41Å; D157-C193 PolarHBondContact N-O 2.86Å | ||
| 158 | L | 87.2 | Confident | 86.8 | Confident | 82 Ų | 82 | 61.5 Ų | 61.5 | 43% | 0.429 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -5.6 | -178.3 | -56.7 | 171.8 | 0 | 0 | 0 | 112.9 | T131 P156 K160 | T131-L158 HydrophobicContact CG2-CB 4.08Å; T131-L158 HydrophobicContact CG2-CD1 4.07Å; T131-L158 HydrophobicContact CG2-CD2 4.5Å; T131-L158 HydrophobicContact CG2-CG 4.43Å; P156-L158 HydrophobicContact CB-CD2 4.08Å; P156-L158 HydrophobicContact CG-CD2 3.97Å; P156-L158 HydrophobicContact CG-CG 4.33Å; P156-L158 PolarHBondContact O-N 3.16Å; L158-K160 VanDerWaalsContact C-N 3.27Å |
| 159 | S | 88.4 | Confident | 86.9 | Confident | 79 Ų | 79 | 63.6 Ų | 63.6 | 55% | 0.552 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -10.1 | 171.3 | 77.4 | 0 | 0 | 0 | 0 | 112.6 | D157 | D157-S159 PolarHBondContact O-N 2.63Å; D157-S159 WeakPolarHBondContact OD1-CB 2.99Å; D157-S159 PolarHBondContact OD1-N 2.92Å; D157-S159 PolarHBondContact OD1-OG 2.58Å; D157-S159 PolarHBondContact OD2-OG 2.85Å |
| 160 | K | 89.6 | Confident | 87.1 | Confident | 58 Ų | 58 | 66.5 Ų | 66.5 | 25% | 0.252 | 38% | 0.38 | S | S | . | . | trans | -113.5 | 156.5 | -176.5 | -59.6 | -58 | -180 | -165.7 | 0 | 112.6 | D157 L158 S169 D170 C172 C193 | D157-K160 HydrophobicContact CB-CG 4.39Å; D157-K160 PolarHBondContact O-N 3.06Å; D157-K160 VanDerWaalsContact OD2-CG 3.26Å; D157-K160 WeakPolarHBondContact OD2-CG 3.19Å; L158-K160 VanDerWaalsContact C-N 3.27Å; K160-S169 PolarHBondContact NZ-O 3.3Å; K160-D170 CarbonylContact C-O 3.53Å; K160-D170 VanDerWaalsContact CA-O 3.22Å; K160-D170 WeakPolarHBondContact CA-O 3.29Å; K160-C172 HydrophobicContact CB-CB 4.46Å; K160-C193 HydrophobicContact CB-CB 3.67Å | ||
| 161 | S | 87.1 | Confident | 87.3 | Confident | 21 Ų | 21 | 66.9 Ų | 66.9 | 15% | 0.147 | 38% | 0.381 | C | S | . | . | B | Isolated β-bridge | trans | -127.2 | 136.6 | -176.7 | -177.2 | 0 | 0 | 0 | 0 | 112.3 | Q124 A163 D170 C172 | Q124-S161 VanDerWaalsContact NE2-CA 3.34Å; Q124-S161 PolarHBondContact NE2-OG 3.11Å; S161-A163 WeakPolarHBondContact OG-CB 3.44Å; S161-A163 PolarHBondContact OG-N 3.05Å; S161-D170 PolarHBondContact N-O 2.72Å; S161-C172 PolarHBondContact O-N 3.12Å |
| 162 | C | 88.9 | Confident | 87.4 | Confident | 13 Ų | 13 | 66.6 Ų | 66.6 | 9% | 0.088 | 38% | 0.379 | C | S | . | . | trans | -96.3 | 10.4 | 174.4 | -72.6 | 0 | 0 | 0 | 0 | 113.2 | C180 K191 L192 | C162-C180 WeakPolarHBondContact CA-SG 3.39Å; C162-C180 HydrophobicContact CB-CB 3.69Å; C162-C180 WeakPolarHBondContact CB-SG 3.32Å; C162-C180 WeakPolarHBondContact SG-CA 3.38Å; C162-C180 WeakPolarHBondContact SG-CB 3.43Å; C162-C180 CovalentContact SG-SG 2.03Å; C162-C180 PolarHBondContact SG-SG 3.27Å; C162-K191 HydrophobicContact CB-CB 3.47Å; C162-K191 VanDerWaalsContact CB-CB 3.47Å; C162-K191 HydrophobicContact CB-CD 4.31Å; C162-L192 VanDerWaalsContact SG-C 3.59Å | ||
| 163 | A | 83.1 | Confident | 87.6 | Confident | 18 Ų | 18 | 65.3 Ų | 65.3 | 15% | 0.149 | 37% | 0.371 | C | S | . | . | trans | -75.2 | 136.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | S161 G165 A166 | S161-A163 WeakPolarHBondContact OG-CB 3.44Å; S161-A163 PolarHBondContact OG-N 3.05Å; A163-G165 PolarHBondContact O-N 3.13Å; A163-A166 WeakPolarHBondContact O-CB 3.24Å; A163-A166 PolarHBondContact O-N 2.9Å | ||
| 164 | K | 80.6 | Confident | 87.5 | Confident | 156 Ų | 156 | 64.8 Ų | 64.8 | 68% | 0.678 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -21.3 | -178.5 | -71.8 | 174.3 | -178.7 | 154.3 | 0 | 113.7 | D121 | D121-K164 IonicContact OD2-NZ 2.81Å; D121-K164 PolarHBondContact OD2-NZ 2.69Å |
| 165 | G | 80.9 | Confident | 87.2 | Confident | 60 Ų | 60 | 70 Ų | 70 | 62% | 0.619 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.4 | 8.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | A163 | A163-G165 PolarHBondContact O-N 3.13Š|
| 166 | A | 83.1 | Confident | 86.9 | Confident | 7 Ų | 7 | 67.8 Ų | 67.8 | 6% | 0.058 | 38% | 0.382 | C | S | . | . | trans | -62.7 | 140.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | A163 R171 | A163-A166 WeakPolarHBondContact O-CB 3.24Å; A163-A166 PolarHBondContact O-N 2.9Å; A166-R171 PolarHBondContact O-NH2 3.08Å | ||
| 167 | P | 86.5 | Confident | 86.8 | Confident | 74 Ų | 74 | 69.6 Ų | 69.6 | 48% | 0.481 | 39% | 0.394 | S | S | . | . | trans | -60 | 151.4 | 174.5 | 27.4 | -34.3 | 0 | 0 | 0 | 110.2 | S169 D170 R171 | P167-S169 PolarHBondContact O-N 2.78Å; P167-S169 VanDerWaalsContact O-N 3.13Å; P167-D170 HydrophobicContact CG-CB 3.96Å; P167-D170 VanDerWaalsContact CG-OD2 3.27Å; P167-D170 WeakPolarHBondContact CG-OD2 3.23Å; P167-D170 PolarHBondContact O-N 2.89Å; P167-R171 PolarHBondContact O-N 3.43Å | ||
| 168 | L | 86.2 | Confident | 86.8 | Confident | 151 Ų | 151 | 68.9 Ų | 68.9 | 79% | 0.791 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -34.5 | -173.3 | -78.5 | 160.3 | 0 | 0 | 0 | 113.4 | D170 | L168-D170 VanDerWaalsContact C-N 3.3Å; L168-D170 PolarHBondContact O-N 2.87Å |
| 169 | S | 88.8 | Confident | 87 | Confident | 78 Ų | 78 | 67.4 Ų | 67.4 | 55% | 0.545 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -35 | 177.3 | 55.7 | 0 | 0 | 0 | 0 | 113 | K160 P167 | K160-S169 PolarHBondContact NZ-O 3.3Å; P167-S169 PolarHBondContact O-N 2.78Å; P167-S169 VanDerWaalsContact O-N 3.13Å |
| 170 | D | 89.4 | Confident | 87.1 | Confident | 73 Ų | 73 | 65.2 Ų | 65.2 | 39% | 0.39 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | -6.4 | -171.2 | -52.4 | -11.3 | 0 | 0 | 0 | 110.7 | K160 S161 P167 L168 | K160-D170 CarbonylContact C-O 3.53Å; K160-D170 VanDerWaalsContact CA-O 3.22Å; K160-D170 WeakPolarHBondContact CA-O 3.29Å; S161-D170 PolarHBondContact N-O 2.72Å; P167-D170 HydrophobicContact CG-CB 3.96Å; P167-D170 VanDerWaalsContact CG-OD2 3.27Å; P167-D170 WeakPolarHBondContact CG-OD2 3.23Å; P167-D170 PolarHBondContact O-N 2.89Å; L168-D170 VanDerWaalsContact C-N 3.3Å; L168-D170 PolarHBondContact O-N 2.87Å |
| 171 | R | 91.6 | Very high | 87.1 | Confident | 107 Ų | 107 | 65.1 Ų | 65.1 | 40% | 0.404 | 36% | 0.363 | S | S | . | . | B | Isolated β-bridge | trans | -68 | 138.5 | 179.4 | -170.3 | 174.4 | -64.2 | 178.9 | -0.3 | 111.1 | A166 P167 | A166-R171 PolarHBondContact O-NH2 3.08Å; P167-R171 PolarHBondContact O-N 3.43Å |
| 172 | C | 92.1 | Very high | 87.1 | Confident | 5 Ų | 5 | 69.4 Ų | 69.4 | 3% | 0.034 | 38% | 0.379 | C | S | . | . | trans | -60.1 | 130.2 | 171.8 | -168.9 | 0 | 0 | 0 | 0 | 110.6 | K160 S161 E174 H178 C193 | K160-C172 HydrophobicContact CB-CB 4.46Å; S161-C172 PolarHBondContact O-N 3.12Å; C172-E174 HydrophobicContact CB-CG 4.15Å; C172-E174 PolarHBondContact O-N 3.22Å; C172-H178 VanDerWaalsContact SG-CB 3.55Å; C172-C193 VanDerWaalsContact CA-SG 3.5Å; C172-C193 HydrophobicContact CB-CB 3.73Å; C172-C193 WeakPolarHBondContact CB-SG 3.36Å; C172-C193 WeakPolarHBondContact SG-CA 3.4Å; C172-C193 WeakPolarHBondContact SG-CB 3.39Å; C172-C193 CovalentContact SG-SG 2.05Å; C172-C193 PolarHBondContact SG-SG 2.91Å | ||
| 173 | P | 91.3 | Very high | 86.8 | Confident | 40 Ų | 40 | 69.8 Ų | 69.8 | 26% | 0.26 | 38% | 0.381 | S | S | . | . | trans | -80 | 66.6 | -178.2 | 33 | -36.5 | 0 | 0 | 0 | 111.5 | L175 T176 T177 H178 | P173-L175 PolarHBondContact O-N 2.95Å; P173-T176 PolarHBondContact O-N 2.93Å; P173-T177 WeakPolarHBondContact CG-OG1 3.46Å; P173-T177 PolarHBondContact O-N 3.25Å; P173-H178 HydrophobicContact CG-CB 3.96Å; P173-H178 WeakPolarHBondContact CG-ND1 2.9Å; P173-H178 PolarHBondContact O-N 2.03Å; P173-H178 VanDerWaalsContact O-N 3.11Å | ||
| 174 | E | 86.9 | Confident | 86.5 | Confident | 88 Ų | 88 | 75 Ų | 75 | 41% | 0.411 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -25.4 | -172.2 | -67.3 | -178.9 | -102.5 | 0 | 0 | 114.6 | C172 H178 R196 | C172-E174 HydrophobicContact CB-CG 4.15Å; C172-E174 PolarHBondContact O-N 3.22Å; E174-H178 CarbonylContact C-O 3.44Å; E174-H178 VanDerWaalsContact CA-O 3.23Å; E174-H178 WeakPolarHBondContact CA-O 2.98Å; E174-H178 VanDerWaalsContact O-O 3.11Å; E174-R196 PolarHBondContact O-NH2 3.5Å |
| 175 | L | 79.3 | Confident | 85.9 | Confident | 160 Ų | 160 | 69 Ų | 69 | 84% | 0.838 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -12.4 | -177.9 | -67.3 | 174.7 | 0 | 0 | 0 | 113.8 | P173 | P173-L175 PolarHBondContact O-N 2.95Š|
| 176 | T | 82.5 | Confident | 85.1 | Confident | 89 Ų | 89 | 71.4 Ų | 71.4 | 55% | 0.546 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131 | -58.1 | -170.4 | 59.1 | 0 | 0 | 0 | 0 | 113.3 | P173 | P173-T176 PolarHBondContact O-N 2.93Š|
| 177 | T | 87.3 | Confident | 84 | Confident | 54 Ų | 54 | 76.9 Ų | 76.9 | 33% | 0.331 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.8 | -20.9 | -165.8 | 51.9 | 0 | 0 | 0 | 0 | 113.6 | P173 R196 | P173-T177 WeakPolarHBondContact CG-OG1 3.46Å; P173-T177 PolarHBondContact O-N 3.25Å; T177-R196 WeakPolarHBondContact O-CB 3.4Å; T177-R196 PolarHBondContact O-N 2.83Å |
| 178 | H | 91.7 | Very high | 82.9 | Confident | 33 Ų | 33 | 73.8 Ų | 73.8 | 15% | 0.153 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 175.7 | -174.8 | -67.3 | 68.8 | 0 | 0 | 0 | 111.1 | C172 P173 E174 C194 A195 R196 | C172-H178 VanDerWaalsContact SG-CB 3.55Å; P173-H178 HydrophobicContact CG-CB 3.96Å; P173-H178 WeakPolarHBondContact CG-ND1 2.9Å; P173-H178 PolarHBondContact O-N 2.03Å; P173-H178 VanDerWaalsContact O-N 3.11Å; E174-H178 CarbonylContact C-O 3.44Å; E174-H178 VanDerWaalsContact CA-O 3.23Å; E174-H178 WeakPolarHBondContact CA-O 2.98Å; E174-H178 VanDerWaalsContact O-O 3.11Å; H178-C194 CarbonylContact C-O 3.53Å; H178-C194 WeakPolarHBondContact CA-O 3.16Å; H178-C194 VanDerWaalsContact CB-O 3.23Å; H178-C194 WeakPolarHBondContact CB-O 2.97Å; H178-C194 VanDerWaalsContact CD2-C 3.43Å; H178-C194 PolarHBondContact CD2-O 3.23Å; H178-A195 PolarHBondContact CD2-N 3.31Å; H178-R196 PolarHBondContact O-NE 3.44Å |
| 179 | F | 90.8 | Very high | 82.2 | Confident | 52 Ų | 52 | 68.2 Ų | 68.2 | 23% | 0.228 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 156.3 | 168.6 | 70.6 | -79.2 | 0 | 0 | 0 | 108.8 | P152 H181 C194 R196 | P152-F179 HydrophobicContact CG-CZ 4.12Å; F179-H181 HydrophobicContact CD2-CB 4.27Å; F179-H181 HydrophobicContact CE2-CB 3.63Å; F179-H181 HydrophobicContact CZ-CB 4.24Å; F179-H181 PolarHBondContact O-N 3.16Å; F179-C194 HydrophobicContact CD1-CB 4.01Å; F179-C194 VanDerWaalsContact CD1-O 3.3Å; F179-C194 WeakPolarHBondContact CD1-O 3.23Å; F179-C194 HydrophobicContact CE1-CB 3.53Å; F179-C194 HydrophobicContact CE2-CB 4.22Å; F179-C194 HydrophobicContact CZ-CB 3.66Å; F179-C194 PolarHBondContact N-O 3.48Å; F179-C194 PolarHBondContact O-N 3.11Å; F179-R196 HydrophobicContact CD1-CG 3.98Å |
| 180 | C | 91.6 | Very high | 81.7 | Confident | 32 Ų | 32 | 64.9 Ų | 64.9 | 22% | 0.216 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 105.8 | 176 | -75.9 | 0 | 0 | 0 | 0 | 111.2 | C162 L192 | C162-C180 WeakPolarHBondContact CA-SG 3.39Å; C162-C180 HydrophobicContact CB-CB 3.69Å; C162-C180 WeakPolarHBondContact CB-SG 3.32Å; C162-C180 WeakPolarHBondContact SG-CA 3.38Å; C162-C180 WeakPolarHBondContact SG-CB 3.43Å; C162-C180 CovalentContact SG-SG 2.03Å; C162-C180 PolarHBondContact SG-SG 3.27Å; C180-L192 CarbonylContact C-O 3.53Å; C180-L192 WeakPolarHBondContact CA-O 3.32Å |
| 181 | H | 90.2 | Very high | 81.5 | Confident | 56 Ų | 56 | 64.4 Ų | 64.4 | 26% | 0.259 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 126.5 | 177.4 | -176.9 | 57.5 | 0 | 0 | 0 | 110.8 | F179 K191 L192 C194 | F179-H181 HydrophobicContact CD2-CB 4.27Å; F179-H181 HydrophobicContact CE2-CB 3.63Å; F179-H181 HydrophobicContact CZ-CB 4.24Å; F179-H181 PolarHBondContact O-N 3.16Å; H181-K191 CarbonylContact O-C 3.58Å; H181-K191 WeakPolarHBondContact O-CA 3.05Å; H181-L192 PolarHBondContact N-O 2.03Å; H181-L192 PolarHBondContact O-N 2.99Å; H181-C194 HydrophobicContact CB-CB 4.19Å; H181-C194 WeakPolarHBondContact CB-SG 3.47Å |
| 182 | K | 86.5 | Confident | 81.4 | Confident | 111 Ų | 111 | 59.9 Ų | 59.9 | 48% | 0.483 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 121.6 | 174.2 | -166 | -173.8 | -168.2 | -172.2 | 0 | 109.6 | E184 A190 | K182-E184 HydrophobicContact CD-CG 3.92Å; K182-E184 WeakPolarHBondContact CE-OE1 3.07Å; K182-E184 HydrophobicContact CG-CG 4Å; K182-E184 IonicContact NZ-OE1 2.8Å; K182-E184 PolarHBondContact NZ-OE1 3.04Å; K182-A190 WeakPolarHBondContact CA-O 3.23Å |
| 183 | V | 82.3 | Confident | 81.4 | Confident | 22 Ų | 22 | 59.8 Ų | 59.8 | 13% | 0.133 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 120.4 | 169.6 | -175.8 | 0 | 0 | 0 | 0 | 107.6 | M134 M136 A189 A190 L192 | M134-V183 HydrophobicContact CE-CB 4.44Å; M134-V183 HydrophobicContact CE-CG1 3.75Å; M136-V183 HydrophobicContact CE-CG1 4.33Å; V183-A189 CarbonylContact O-C 3.5Å; V183-A189 VanDerWaalsContact O-CA 3.32Å; V183-A189 WeakPolarHBondContact O-CA 3.45Å; V183-A190 PolarHBondContact N-O 3.22Å; V183-A190 PolarHBondContact O-N 3.24Å; V183-L192 HydrophobicContact CG2-CD1 3.55Å; V183-L192 HydrophobicContact CG2-CG 4.08Å |
| 184 | E | 76.4 | Confident | 81.4 | Confident | 126 Ų | 126 | 57.9 Ų | 57.9 | 59% | 0.589 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 140.3 | 177.8 | -62.5 | -171.9 | 139.2 | 0 | 0 | 110.6 | K182 A189 | K182-E184 HydrophobicContact CD-CG 3.92Å; K182-E184 WeakPolarHBondContact CE-OE1 3.07Å; K182-E184 HydrophobicContact CG-CG 4Å; K182-E184 IonicContact NZ-OE1 2.8Å; K182-E184 PolarHBondContact NZ-OE1 3.04Å; E184-A189 HydrophobicContact CG-CB 4.16Å |
| 185 | S | 69 | Low | 81.7 | Confident | 32 Ų | 32 | 55.4 Ų | 55.4 | 22% | 0.224 | 30% | 0.302 | C | S | . | . | trans | -120.8 | 175.3 | 163.3 | 77.2 | 0 | 0 | 0 | 0 | 108.8 | M136 F187 N188 | M136-S185 VanDerWaalsContact SD-CB 3.57Å; S185-F187 PolarHBondContact O-N 2.79Å; S185-N188 PolarHBondContact N-O 3.12Å; S185-N188 PolarHBondContact OG-N 3.39Å; S185-N188 PolarHBondContact OG-O 3.01Å | ||
| 186 | S | 64.7 | Low | 82.1 | Confident | 109 Ų | 109 | 52.9 Ų | 52.9 | 76% | 0.762 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -51.8 | -22 | -178.3 | -51.8 | 0 | 0 | 0 | 0 | 114.7 | ||
| 187 | F | 58.8 | Low | 82.3 | Confident | 122 Ų | 122 | 50.9 Ų | 50.9 | 54% | 0.535 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -140 | -9.1 | -175.5 | -54.6 | -77.4 | 0 | 0 | 0 | 115.6 | Y138 S185 | Y138-F187 HydrophobicContact CD2-CB 4.43Å; Y138-F187 AromaticContact CD2-CD2 3.59Å; Y138-F187 HydrophobicContact CD2-CD2 3.59Å; Y138-F187 HydrophobicContact CD2-CE2 4.34Å; Y138-F187 HydrophobicContact CD2-CG 4.42Å; Y138-F187 HydrophobicContact CE2-CB 4.31Å; Y138-F187 HydrophobicContact CE2-CD2 4.28Å; Y138-F187 HydrophobicContact CG-CD2 4.22Å; S185-F187 PolarHBondContact O-N 2.79Å |
| 188 | N | 63.3 | Low | 82.3 | Confident | 10 Ų | 10 | 48.8 Ų | 48.8 | 5% | 0.053 | 26% | 0.258 | C | S | . | . | trans | -130.7 | 147.4 | 179.5 | -58.1 | -47.4 | 0 | 0 | 0 | 110.5 | M134 Y138 S185 | M134-N188 HydrophobicContact SD-CB 4.2Å; Y138-N188 WeakPolarHBondContact CE2-ND2 3.31Å; Y138-N188 PolarHBondContact OH-ND2 2.98Å; S185-N188 PolarHBondContact N-O 3.12Å; S185-N188 PolarHBondContact OG-N 3.39Å; S185-N188 PolarHBondContact OG-O 3.01Å | ||
| 189 | A | 72.8 | Confident | 81.7 | Confident | 34 Ų | 34 | 56.5 Ų | 56.5 | 28% | 0.281 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 135.1 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | V183 E184 | V183-A189 CarbonylContact O-C 3.5Å; V183-A189 VanDerWaalsContact O-CA 3.32Å; V183-A189 WeakPolarHBondContact O-CA 3.45Å; E184-A189 HydrophobicContact CG-CB 4.16Å |
| 190 | A | 76.6 | Confident | 80.9 | Confident | 7 Ų | 7 | 61.4 Ų | 61.4 | 6% | 0.058 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 154.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | M134 K182 V183 | M134-A190 HydrophobicContact SD-CB 3.82Å; K182-A190 WeakPolarHBondContact CA-O 3.23Å; V183-A190 PolarHBondContact N-O 3.22Å; V183-A190 PolarHBondContact O-N 3.24Å |
| 191 | K | 86.3 | Confident | 79.8 | Confident | 63 Ų | 63 | 65.4 Ų | 65.4 | 27% | 0.274 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 123.7 | 172.4 | -66.8 | 177.1 | -175.2 | 162 | 0 | 109.2 | D121 C162 H181 | D121-K191 IonicContact OD1-NZ 3.2Å; D121-K191 PolarHBondContact OD1-NZ 3.44Å; C162-K191 HydrophobicContact CB-CB 3.47Å; C162-K191 VanDerWaalsContact CB-CB 3.47Å; C162-K191 HydrophobicContact CB-CD 4.31Å; H181-K191 CarbonylContact O-C 3.58Å; H181-K191 WeakPolarHBondContact O-CA 3.05Å |
| 192 | L | 88.4 | Confident | 78.8 | Confident | 13 Ų | 13 | 64.7 Ų | 64.7 | 7% | 0.068 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 137.6 | -177.5 | -53.8 | 178.8 | 0 | 0 | 0 | 110 | I149 P156 C162 C180 H181 V183 C194 | I149-L192 HydrophobicContact CB-CD1 3.94Å; I149-L192 HydrophobicContact CD1-CD1 4.37Å; I149-L192 HydrophobicContact CD1-CD2 3.52Å; I149-L192 HydrophobicContact CG1-CD1 3.87Å; I149-L192 HydrophobicContact CG1-CD2 3.93Å; P156-L192 HydrophobicContact CB-CB 4.24Å; P156-L192 HydrophobicContact CB-CD1 4.35Å; C162-L192 VanDerWaalsContact SG-C 3.59Å; C180-L192 CarbonylContact C-O 3.53Å; C180-L192 WeakPolarHBondContact CA-O 3.32Å; H181-L192 PolarHBondContact N-O 2.03Å; H181-L192 PolarHBondContact O-N 2.99Å; V183-L192 HydrophobicContact CG2-CD1 3.55Å; V183-L192 HydrophobicContact CG2-CG 4.08Å; L192-C194 PolarHBondContact O-N 2.82Å |
| 193 | C | 92 | Very high | 78.2 | Confident | 2 Ų | 2 | 62.8 Ų | 62.8 | 1% | 0.014 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 110.8 | 168.8 | -169.1 | 0 | 0 | 0 | 0 | 108.8 | D157 K160 C172 | D157-C193 HydrophobicContact CB-CB 4.41Å; D157-C193 PolarHBondContact N-O 2.86Å; K160-C193 HydrophobicContact CB-CB 3.67Å; C172-C193 VanDerWaalsContact CA-SG 3.5Å; C172-C193 HydrophobicContact CB-CB 3.73Å; C172-C193 WeakPolarHBondContact CB-SG 3.36Å; C172-C193 WeakPolarHBondContact SG-CA 3.4Å; C172-C193 WeakPolarHBondContact SG-CB 3.39Å; C172-C193 CovalentContact SG-SG 2.05Å; C172-C193 PolarHBondContact SG-SG 2.91Å |
| 194 | C | 92.9 | Very high | 78.2 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 135.9 | -174.2 | -68.1 | 0 | 0 | 0 | 0 | 111 | C151 H178 F179 H181 L192 | C151-C194 VanDerWaalsContact CA-SG 3.56Å; C151-C194 HydrophobicContact CB-CB 3.63Å; C151-C194 WeakPolarHBondContact CB-SG 3.36Å; C151-C194 WeakPolarHBondContact SG-CA 3.25Å; C151-C194 WeakPolarHBondContact SG-CB 3.39Å; C151-C194 CovalentContact SG-SG 2.02Å; C151-C194 PolarHBondContact SG-SG 2.84Å; H178-C194 CarbonylContact C-O 3.53Å; H178-C194 WeakPolarHBondContact CA-O 3.16Å; H178-C194 VanDerWaalsContact CB-O 3.23Å; H178-C194 WeakPolarHBondContact CB-O 2.97Å; H178-C194 VanDerWaalsContact CD2-C 3.43Å; H178-C194 PolarHBondContact CD2-O 3.23Å; F179-C194 HydrophobicContact CD1-CB 4.01Å; F179-C194 VanDerWaalsContact CD1-O 3.3Å; F179-C194 WeakPolarHBondContact CD1-O 3.23Å; F179-C194 HydrophobicContact CE1-CB 3.53Å; F179-C194 HydrophobicContact CE2-CB 4.22Å; F179-C194 HydrophobicContact CZ-CB 3.66Å; F179-C194 PolarHBondContact N-O 3.48Å; F179-C194 PolarHBondContact O-N 3.11Å; H181-C194 HydrophobicContact CB-CB 4.19Å; H181-C194 WeakPolarHBondContact CB-SG 3.47Å; L192-C194 PolarHBondContact O-N 2.82Å |
| 195 | A | 91.7 | Very high | 78.5 | Confident | 37 Ų | 37 | 61 Ų | 61 | 31% | 0.306 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 137.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | H178 | H178-A195 PolarHBondContact CD2-N 3.31Å |
| 196 | R | 87.9 | Confident | 79.3 | Confident | 106 Ų | 106 | 62.3 Ų | 62.3 | 40% | 0.4 | 33% | 0.326 | S | S | . | . | trans | -71.5 | 129.4 | 167.1 | -67.8 | 177.2 | 175.9 | -105.7 | 6.2 | 107.7 | E174 T177 H178 F179 C198 | E174-R196 PolarHBondContact O-NH2 3.5Å; T177-R196 WeakPolarHBondContact O-CB 3.4Å; T177-R196 PolarHBondContact O-N 2.83Å; H178-R196 PolarHBondContact O-NE 3.44Å; F179-R196 HydrophobicContact CD1-CG 3.98Å; R196-C198 WeakPolarHBondContact CB-O 2.88Å; R196-C198 PolarHBondContact O-N 2.87Å | ||
| 197 | P | 87.6 | Confident | 80.3 | Confident | 48 Ų | 48 | 62 Ų | 62 | 31% | 0.312 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -64.6 | -23.9 | 179 | 27.9 | -36 | 0 | 0 | 0 | 111.7 | Y153 F205 C210 | Y153-P197 HydrophobicContact CD1-CB 3.91Å; Y153-P197 HydrophobicContact CD1-CG 4.08Å; Y153-P197 HydrophobicContact CD2-CB 4.02Å; Y153-P197 VanDerWaalsContact CD2-CD 3.44Å; Y153-P197 HydrophobicContact CD2-CG 3.53Å; Y153-P197 HydrophobicContact CE1-CB 4.39Å; Y153-P197 HydrophobicContact CE1-CG 4.19Å; Y153-P197 HydrophobicContact CE2-CB 4.47Å; Y153-P197 HydrophobicContact CE2-CG 3.63Å; Y153-P197 HydrophobicContact CG-CB 3.7Å; Y153-P197 HydrophobicContact CG-CG 3.75Å; P197-F205 HydrophobicContact CB-CB 3.89Å; P197-F205 HydrophobicContact CB-CD1 4.14Å; P197-F205 HydrophobicContact CB-CD2 3.72Å; P197-F205 HydrophobicContact CB-CE2 4.18Å; P197-F205 HydrophobicContact CB-CG 3.66Å; P197-F205 HydrophobicContact CG-CB 3.53Å; P197-F205 HydrophobicContact CG-CD1 4.37Å; P197-F205 HydrophobicContact CG-CD2 4.35Å; P197-F205 HydrophobicContact CG-CG 3.86Å; P197-C210 PolarHBondContact O-SG 2.92Å; P197-C210 VanDerWaalsContact O-SG 3.41Å |
| 198 | C | 86.5 | Confident | 81.5 | Confident | 9 Ų | 9 | 59.2 Ų | 59.2 | 6% | 0.061 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -129.3 | 147.2 | 179.5 | -55.2 | 0 | 0 | 0 | 0 | 111.5 | R196 T202 F205 C210 | R196-C198 WeakPolarHBondContact CB-O 2.88Å; R196-C198 PolarHBondContact O-N 2.87Å; C198-T202 WeakPolarHBondContact CB-O 3.31Å; C198-F205 VanDerWaalsContact SG-CB 3.54Å; C198-F205 VanDerWaalsContact SG-CD2 3.59Å; C198-C210 WeakPolarHBondContact CA-SG 3.36Å; C198-C210 HydrophobicContact CB-CB 3.68Å; C198-C210 WeakPolarHBondContact CB-SG 3.5Å; C198-C210 WeakPolarHBondContact SG-CA 3.25Å; C198-C210 WeakPolarHBondContact SG-CB 3.03Å; C198-C210 CovalentContact SG-SG 2.03Å; C198-C210 PolarHBondContact SG-SG 3.19Å |
| 199 | R | 80.4 | Confident | 82.7 | Confident | 196 Ų | 196 | 65.9 Ų | 65.9 | 74% | 0.74 | 35% | 0.354 | S | S | * | . | trans | -93.2 | 149.1 | 173.1 | -65.7 | -176.7 | -178.3 | 172.3 | 0.5 | 109.5 | T202 | R199-T202 CarbonylContact C-O 3.6Å; R199-T202 CarbonylContact O-C 3.42Å; R199-T202 WeakPolarHBondContact O-CA 2.95Å; R199-T202 PolarHBondContact O-N 3.39Å; R199-T202 PolarHBondContact O-OG1 2.8Å | ||
| 200 | E | 73.3 | Confident | 83.5 | Confident | 154 Ų | 154 | 66.2 Ų | 66.2 | 72% | 0.72 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | 143.5 | 168.6 | -68.2 | -170.5 | 173.9 | 0 | 0 | 111.3 | ||
| 201 | P | 69.1 | Low | 84.1 | Confident | 117 Ų | 117 | 67.3 Ų | 67.3 | 76% | 0.76 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -84.8 | -2.4 | 4.5 | 34.6 | -35.7 | 0 | 0 | 0 | 114.2 | S203 | P201-S203 PolarHBondContact O-N 2.05Š|
| 202 | T | 69.3 | Low | 84.2 | Confident | 40 Ų | 40 | 67.2 Ų | 67.2 | 25% | 0.245 | 36% | 0.362 | C | S | . | . | trans | -79.1 | 87.9 | 175 | 55.6 | 0 | 0 | 0 | 0 | 109.8 | C198 R199 Y211 | C198-T202 WeakPolarHBondContact CB-O 3.31Å; R199-T202 CarbonylContact C-O 3.6Å; R199-T202 CarbonylContact O-C 3.42Å; R199-T202 WeakPolarHBondContact O-CA 2.95Å; R199-T202 PolarHBondContact O-N 3.39Å; R199-T202 PolarHBondContact O-OG1 2.8Å; T202-Y211 WeakPolarHBondContact CA-O 3.18Å | ||
| 203 | S | 72.1 | Confident | 84.2 | Confident | 72 Ų | 72 | 69.9 Ų | 69.9 | 50% | 0.503 | 38% | 0.376 | S | S | . | . | trans | -85.4 | -12.9 | -179.4 | 57.3 | 0 | 0 | 0 | 0 | 113.2 | P201 | P201-S203 PolarHBondContact O-N 2.05Š| ||
| 204 | F | 82.2 | Confident | 84.1 | Confident | 48 Ų | 48 | 69.9 Ų | 69.9 | 21% | 0.211 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 118 | -170.4 | -173.8 | -108.3 | 0 | 0 | 0 | 112.3 | H206 Y211 E224 | F204-H206 HydrophobicContact CD1-CB 4.11Å; F204-H206 HydrophobicContact CE1-CB 3.4Å; F204-H206 HydrophobicContact CZ-CB 3.92Å; F204-Y211 PolarHBondContact N-O 3.35Å; F204-Y211 PolarHBondContact O-N 3.26Å; F204-E224 HydrophobicContact CE1-CB 3.44Å; F204-E224 VanDerWaalsContact CE1-CB 3.44Å; F204-E224 WeakPolarHBondContact CE1-O 3.02Å; F204-E224 HydrophobicContact CZ-CB 3.59Å |
| 205 | F | 84.3 | Confident | 84 | Confident | 63 Ų | 63 | 72 Ų | 72 | 28% | 0.276 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 123 | 175.8 | -174.2 | -104.3 | 0 | 0 | 0 | 110.7 | Y153 P197 C198 G208 | Y153-F205 AromaticContact CD1-CD1 3.93Å; Y153-F205 HydrophobicContact CD1-CD1 3.93Å; Y153-F205 AromaticContact CD1-CE1 3.91Å; Y153-F205 HydrophobicContact CD1-CE1 3.91Å; Y153-F205 AromaticContact CE1-CD1 3.4Å; Y153-F205 HydrophobicContact CE1-CD1 3.4Å; Y153-F205 AromaticContact CE1-CE1 3.73Å; Y153-F205 HydrophobicContact CE1-CE1 3.73Å; Y153-F205 HydrophobicContact CE1-CG 4.33Å; P197-F205 HydrophobicContact CB-CB 3.89Å; P197-F205 HydrophobicContact CB-CD1 4.14Å; P197-F205 HydrophobicContact CB-CD2 3.72Å; P197-F205 HydrophobicContact CB-CE2 4.18Å; P197-F205 HydrophobicContact CB-CG 3.66Å; P197-F205 HydrophobicContact CG-CB 3.53Å; P197-F205 HydrophobicContact CG-CD1 4.37Å; P197-F205 HydrophobicContact CG-CD2 4.35Å; P197-F205 HydrophobicContact CG-CG 3.86Å; C198-F205 VanDerWaalsContact SG-CB 3.54Å; C198-F205 VanDerWaalsContact SG-CD2 3.59Å; F205-G208 VanDerWaalsContact CE2-C 3.41Å; F205-G208 VanDerWaalsContact CZ-CA 3.42Å |
| 206 | H | 85.6 | Confident | 84.1 | Confident | 58 Ų | 58 | 74.5 Ų | 74.5 | 27% | 0.269 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 134.9 | 178.2 | -177.8 | 83.5 | 0 | 0 | 0 | 111 | F204 G208 R209 Y211 I222 | F204-H206 HydrophobicContact CD1-CB 4.11Å; F204-H206 HydrophobicContact CE1-CB 3.4Å; F204-H206 HydrophobicContact CZ-CB 3.92Å; H206-G208 PolarHBondContact O-N 2.84Å; H206-G208 VanDerWaalsContact O-N 3.17Å; H206-R209 PolarHBondContact N-O 2.86Å; H206-R209 PolarHBondContact O-N 2.87Å; H206-R209 VanDerWaalsContact O-O 3.08Å; H206-Y211 HydrophobicContact CB-CD2 4.3Å; H206-Y211 HydrophobicContact CB-CE2 4.32Å; H206-I222 HydrophobicContact CB-CD1 4.31Å |
| 207 | S | 84.6 | Confident | 84.4 | Confident | 104 Ų | 104 | 70.7 Ų | 70.7 | 73% | 0.727 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.3 | 42.7 | 177.6 | -65.3 | 0 | 0 | 0 | 0 | 114 | R209 | S207-R209 VanDerWaalsContact C-N 3.3Å; S207-R209 PolarHBondContact O-N 2.02Å |
| 208 | G | 84.4 | Confident | 84.6 | Confident | 62 Ų | 62 | 71.8 Ų | 71.8 | 64% | 0.639 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.7 | -0.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | F205 H206 | F205-G208 VanDerWaalsContact CE2-C 3.41Å; F205-G208 VanDerWaalsContact CZ-CA 3.42Å; H206-G208 PolarHBondContact O-N 2.84Å; H206-G208 VanDerWaalsContact O-N 3.17Å |
| 209 | R | 88.9 | Confident | 85 | Confident | 151 Ų | 151 | 75.1 Ų | 75.1 | 57% | 0.57 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 149.6 | -176.3 | -175.3 | 170.6 | 177.8 | -176.7 | 2.1 | 112.1 | H206 S207 Y211 | H206-R209 PolarHBondContact N-O 2.86Å; H206-R209 PolarHBondContact O-N 2.87Å; H206-R209 VanDerWaalsContact O-O 3.08Å; S207-R209 VanDerWaalsContact C-N 3.3Å; S207-R209 PolarHBondContact O-N 2.02Å; R209-Y211 HydrophobicContact CB-CE2 3.78Å; R209-Y211 HydrophobicContact CG-CE1 4.46Å; R209-Y211 HydrophobicContact CG-CE2 4.01Å; R209-Y211 WeakPolarHBondContact O-CD2 3.41Å |
| 210 | C | 89.9 | Confident | 85.6 | Confident | 41 Ų | 41 | 66.2 Ų | 66.2 | 28% | 0.277 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 133.8 | 174 | -64 | 0 | 0 | 0 | 0 | 111.5 | P197 C198 | P197-C210 PolarHBondContact O-SG 2.92Å; P197-C210 VanDerWaalsContact O-SG 3.41Å; C198-C210 WeakPolarHBondContact CA-SG 3.36Å; C198-C210 HydrophobicContact CB-CB 3.68Å; C198-C210 WeakPolarHBondContact CB-SG 3.5Å; C198-C210 WeakPolarHBondContact SG-CA 3.25Å; C198-C210 WeakPolarHBondContact SG-CB 3.03Å; C198-C210 CovalentContact SG-SG 2.03Å; C198-C210 PolarHBondContact SG-SG 3.19Å |
| 211 | Y | 89.2 | Confident | 86.5 | Confident | 29 Ų | 29 | 65 Ų | 65 | 11% | 0.114 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 147.4 | 177.2 | -62.3 | -86.7 | 0 | 0 | 0 | 110 | T202 F204 H206 R209 L221 I222 Q225 | T202-Y211 WeakPolarHBondContact CA-O 3.18Å; F204-Y211 PolarHBondContact N-O 3.35Å; F204-Y211 PolarHBondContact O-N 3.26Å; H206-Y211 HydrophobicContact CB-CD2 4.3Å; H206-Y211 HydrophobicContact CB-CE2 4.32Å; R209-Y211 HydrophobicContact CB-CE2 3.78Å; R209-Y211 HydrophobicContact CG-CE1 4.46Å; R209-Y211 HydrophobicContact CG-CE2 4.01Å; R209-Y211 WeakPolarHBondContact O-CD2 3.41Å; Y211-L221 HydrophobicContact CD1-CD1 4.42Å; Y211-L221 HydrophobicContact CE1-CD1 4.28Å; Y211-I222 HydrophobicContact CD1-CD1 4.39Å; Y211-I222 HydrophobicContact CD2-CD1 3.89Å; Y211-I222 HydrophobicContact CE1-CD1 4.25Å; Y211-I222 HydrophobicContact CE2-CD1 3.71Å; Y211-I222 HydrophobicContact CG-CD1 4.23Å; Y211-Q225 HydrophobicContact CD1-CG 4.3Å; Y211-Q225 HydrophobicContact CG-CG 4.09Å |
| 212 | P | 88.3 | Confident | 87.6 | Confident | 61 Ų | 61 | 61.3 Ų | 61.3 | 40% | 0.396 | 35% | 0.353 | S | S | . | . | trans | -65.7 | 139 | 166.6 | 27.9 | -32.3 | 0 | 0 | 0 | 109.3 | Q225 | P212-Q225 PolarHBondContact O-NE2 2.89Š| ||
| 213 | L | 88 | Confident | 88.7 | Confident | 70 Ų | 70 | 62.7 Ų | 62.7 | 37% | 0.366 | 36% | 0.358 | S | S | . | . | trans | -62.7 | 135.9 | 164.3 | -175.7 | 70.5 | 0 | 0 | 0 | 108.1 | ||||
| 214 | A | 90.5 | Very high | 89.6 | Confident | 2 Ų | 2 | 62.1 Ų | 62.1 | 2% | 0.017 | 35% | 0.348 | C | S | . | . | B | Isolated β-bridge | trans | -123 | 132.9 | -179 | 0 | 0 | 0 | 0 | 0 | 109.4 | D218 Q225 C226 E227 C239 | A214-D218 HydrophobicContact CB-CB 3.86Å; A214-Q225 HydrophobicContact CB-CB 4.12Å; A214-Q225 PolarHBondContact N-O 3.45Å; A214-Q225 VanDerWaalsContact O-O 3.11Å; A214-C226 WeakPolarHBondContact O-CA 3.47Å; A214-E227 PolarHBondContact O-N 3.26Å; A214-C239 WeakPolarHBondContact CB-SG 3.32Å |
| 215 | H | 91.2 | Very high | 90 | Very high | 43 Ų | 43 | 60 Ų | 60 | 20% | 0.199 | 34% | 0.339 | C | S | . | . | trans | -95.3 | 179.2 | 175.8 | -64.4 | -66.7 | 0 | 0 | 0 | 110.8 | G217 D218 E227 C239 F252 | H215-G217 PolarHBondContact O-N 2.88Å; H215-D218 WeakPolarHBondContact CB-OD2 3.28Å; H215-D218 IonicContact CD2-OD2 3.99Å; H215-D218 IonicContact CG-OD2 3.09Å; H215-D218 PolarHBondContact N-OD2 3.22Å; H215-D218 WeakPolarHBondContact O-CB 3.38Å; H215-D218 PolarHBondContact O-N 3.17Å; H215-E227 IonicContact CE1-OE1 3.98Å; H215-E227 IonicContact CG-OE1 3.9Å; H215-E227 IonicContact ND1-OE1 3.82Å; H215-E227 PolarHBondContact ND1-OE1 2.62Å; H215-C239 WeakPolarHBondContact O-CB 3.36Å; H215-F252 AromaticContact NE2-CD1 3.82Å | ||
| 216 | Y | 93.5 | Very high | 90.4 | Very high | 90 Ų | 90 | 57 Ų | 57 | 35% | 0.353 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | 124.7 | 177.8 | 176.2 | -99.2 | 0 | 0 | 0 | 111.9 | D218 M232 P247 P253 C255 | Y216-D218 VanDerWaalsContact C-N 3.32Å; Y216-M232 HydrophobicContact CD2-SD 4.3Å; Y216-P247 HydrophobicContact CE1-CB 4.01Å; Y216-P247 HydrophobicContact CE1-CG 4.31Å; Y216-P247 HydrophobicContact CE2-CB 4.19Å; Y216-P247 HydrophobicContact CE2-CG 3.91Å; Y216-P247 WeakPolarHBondContact OH-CG 3.32Å; Y216-P253 WeakPolarHBondContact CB-O 3.04Å; Y216-P253 HydrophobicContact CD1-CB 4.42Å; Y216-P253 PolarHBondContact N-O 2.78Å; Y216-C255 VanDerWaalsContact CD2-SG 3.52Å |
| 217 | G | 92.5 | Very high | 90.4 | Very high | 27 Ų | 27 | 56.4 Ų | 56.4 | 28% | 0.278 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.9 | -13 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | H215 C239 | H215-G217 PolarHBondContact O-N 2.88Å; G217-C239 PolarHBondContact N-O 3.45Å |
| 218 | D | 92.9 | Very high | 90.2 | Very high | 71 Ų | 71 | 52.7 Ų | 52.7 | 38% | 0.38 | 30% | 0.301 | S | S | . | . | trans | -69.9 | 157.4 | 178.4 | -72.2 | -19.7 | 0 | 0 | 0 | 111.9 | A214 H215 Y216 R238 C239 | A214-D218 HydrophobicContact CB-CB 3.86Å; H215-D218 WeakPolarHBondContact CB-OD2 3.28Å; H215-D218 IonicContact CD2-OD2 3.99Å; H215-D218 IonicContact CG-OD2 3.09Å; H215-D218 PolarHBondContact N-OD2 3.22Å; H215-D218 WeakPolarHBondContact O-CB 3.38Å; H215-D218 PolarHBondContact O-N 3.17Å; Y216-D218 VanDerWaalsContact C-N 3.32Å; D218-R238 CarbonylContact O-C 3.47Å; D218-R238 WeakPolarHBondContact O-CA 3.02Å; D218-C239 PolarHBondContact O-N 2.86Å | ||
| 219 | A | 93.7 | Very high | 90 | Very high | 79 Ų | 79 | 51 Ų | 51 | 65% | 0.653 | 28% | 0.284 | S | S | * | . | B | Isolated β-bridge | trans | -67.6 | 137.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | G237 | A219-G237 CarbonylContact C-O 3.56Å; A219-G237 VanDerWaalsContact CA-O 3.32Å; A219-G237 WeakPolarHBondContact CA-O 3.08Å |
| 220 | C | 93.8 | Very high | 89.7 | Confident | 9 Ų | 9 | 49.2 Ų | 49.2 | 6% | 0.061 | 28% | 0.282 | C | S | . | . | trans | -142.1 | 157.3 | 178.9 | 58.8 | 0 | 0 | 0 | 0 | 111.4 | Q225 C234 G237 R238 C239 | C220-Q225 HydrophobicContact CB-CB 4.36Å; C220-C234 HydrophobicContact CB-CB 3.88Å; C220-C234 WeakPolarHBondContact CB-SG 3.43Å; C220-C234 PolarHBondContact O-SG 3.43Å; C220-C234 WeakPolarHBondContact SG-CA 3.04Å; C220-C234 WeakPolarHBondContact SG-CB 3.46Å; C220-C234 CovalentContact SG-SG 2.03Å; C220-C234 PolarHBondContact SG-SG 3.44Å; C220-G237 PolarHBondContact N-O 3.01Å; C220-G237 WeakPolarHBondContact O-CA 3.32Å; C220-G237 VanDerWaalsContact SG-C 3.5Å; C220-R238 WeakPolarHBondContact SG-CA 3.37Å; C220-R238 PolarHBondContact SG-N 3.18Å; C220-R238 VanDerWaalsContact SG-N 3.4Å; C220-C239 PolarHBondContact SG-N 3.39Å; C220-C239 VanDerWaalsContact SG-N 3.4Å | ||
| 221 | L | 93.2 | Very high | 89.7 | Confident | 129 Ų | 129 | 48.4 Ų | 48.4 | 68% | 0.675 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -111.9 | -32.1 | 174.3 | -58.7 | 176.2 | 0 | 0 | 0 | 111.1 | Y211 | Y211-L221 HydrophobicContact CD1-CD1 4.42Å; Y211-L221 HydrophobicContact CE1-CD1 4.28Å |
| 222 | I | 92.4 | Very high | 89.9 | Confident | 39 Ų | 39 | 47 Ų | 47 | 20% | 0.2 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -136.3 | 158 | -178.8 | 63.6 | 174.2 | 0 | 0 | 0 | 110.3 | H206 Y211 E224 Q225 | H206-I222 HydrophobicContact CB-CD1 4.31Å; Y211-I222 HydrophobicContact CD1-CD1 4.39Å; Y211-I222 HydrophobicContact CD2-CD1 3.89Å; Y211-I222 HydrophobicContact CE1-CD1 4.25Å; Y211-I222 HydrophobicContact CE2-CD1 3.71Å; Y211-I222 HydrophobicContact CG-CD1 4.23Å; I222-E224 VanDerWaalsContact C-N 3.27Å; I222-E224 WeakPolarHBondContact CB-OE2 3.39Å; I222-E224 HydrophobicContact CD1-CB 4.2Å; I222-E224 HydrophobicContact CG1-CB 4.48Å; I222-E224 PolarHBondContact O-N 2.74Å; I222-Q225 HydrophobicContact CD1-CG 4.42Å; I222-Q225 HydrophobicContact CG1-CB 4.48Å; I222-Q225 HydrophobicContact CG1-CG 3.74Å; I222-Q225 PolarHBondContact O-N 2.96Å |
| 223 | N | 92.2 | Very high | 90.2 | Very high | 68 Ų | 68 | 45.1 Ų | 45.1 | 36% | 0.364 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -62.5 | -36.1 | -178 | -69.7 | -22.5 | 0 | 0 | 0 | 112.1 | Q225 C226 G229 C234 | N223-Q225 PolarHBondContact O-N 2.71Å; N223-C226 VanDerWaalsContact O-CB 3.25Å; N223-C226 WeakPolarHBondContact O-CB 3.03Å; N223-C226 PolarHBondContact O-N 2.04Å; N223-G229 WeakPolarHBondContact O-CA 3.47Å; N223-C234 PolarHBondContact OD1-N 3.46Å |
| 224 | E | 90.4 | Very high | 90.5 | Very high | 61 Ų | 61 | 43 Ų | 43 | 29% | 0.285 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -68.5 | -20.7 | -173.3 | -62.3 | 75.6 | -166.6 | 0 | 0 | 112.8 | F204 I222 C226 G228 | F204-E224 HydrophobicContact CE1-CB 3.44Å; F204-E224 VanDerWaalsContact CE1-CB 3.44Å; F204-E224 WeakPolarHBondContact CE1-O 3.02Å; F204-E224 HydrophobicContact CZ-CB 3.59Å; I222-E224 VanDerWaalsContact C-N 3.27Å; I222-E224 WeakPolarHBondContact CB-OE2 3.39Å; I222-E224 HydrophobicContact CD1-CB 4.2Å; I222-E224 HydrophobicContact CG1-CB 4.48Å; I222-E224 PolarHBondContact O-N 2.74Å; E224-C226 PolarHBondContact O-N 3.17Å; E224-G228 WeakPolarHBondContact O-CA 3.13Å; E224-G228 PolarHBondContact O-N 3.32Å; E224-G228 VanDerWaalsContact O-N 3.11Å |
| 225 | Q | 90.8 | Very high | 90.7 | Very high | 3 Ų | 3 | 47.9 Ų | 47.9 | 1% | 0.014 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -63.4 | -29.5 | 169.9 | -72.8 | -178.5 | -80.4 | 0 | 0 | 112.2 | Y211 P212 A214 C220 I222 N223 E227 | Y211-Q225 HydrophobicContact CD1-CG 4.3Å; Y211-Q225 HydrophobicContact CG-CG 4.09Å; P212-Q225 PolarHBondContact O-NE2 2.89Å; A214-Q225 HydrophobicContact CB-CB 4.12Å; A214-Q225 PolarHBondContact N-O 3.45Å; A214-Q225 VanDerWaalsContact O-O 3.11Å; C220-Q225 HydrophobicContact CB-CB 4.36Å; I222-Q225 HydrophobicContact CD1-CG 4.42Å; I222-Q225 HydrophobicContact CG1-CB 4.48Å; I222-Q225 HydrophobicContact CG1-CG 3.74Å; I222-Q225 PolarHBondContact O-N 2.96Å; N223-Q225 PolarHBondContact O-N 2.71Å; Q225-E227 VanDerWaalsContact C-N 3.34Å; Q225-E227 PolarHBondContact O-N 3.42Å |
| 226 | C | 92.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 30% | 0.303 | C | S | . | . | B | Isolated β-bridge | trans | -81.1 | 77.6 | -176.2 | -54.6 | 0 | 0 | 0 | 0 | 110.7 | A214 N223 E224 G228 G229 M232 C239 | A214-C226 WeakPolarHBondContact O-CA 3.47Å; N223-C226 VanDerWaalsContact O-CB 3.25Å; N223-C226 WeakPolarHBondContact O-CB 3.03Å; N223-C226 PolarHBondContact O-N 2.04Å; E224-C226 PolarHBondContact O-N 3.17Å; C226-G228 PolarHBondContact O-N 3.19Å; C226-G229 PolarHBondContact O-N 3.34Å; C226-M232 HydrophobicContact CB-CB 3.56Å; C226-M232 HydrophobicContact CB-CE 4.26Å; C226-C239 WeakPolarHBondContact CA-SG 2.95Å; C226-C239 HydrophobicContact CB-CB 3.69Å; C226-C239 WeakPolarHBondContact CB-SG 3.43Å; C226-C239 WeakPolarHBondContact SG-CA 3.45Å; C226-C239 WeakPolarHBondContact SG-CB 3.33Å; C226-C239 CovalentContact SG-SG 2.04Å; C226-C239 PolarHBondContact SG-SG 2.94Å |
| 227 | E | 86.1 | Confident | 90.9 | Very high | 45 Ų | 45 | 53 Ų | 53 | 21% | 0.21 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | 50.9 | 38.3 | -177.7 | -63.2 | -179.7 | -172.3 | 0 | 0 | 113.6 | A214 H215 Q225 H231 M232 T254 | A214-E227 PolarHBondContact O-N 3.26Å; H215-E227 IonicContact CE1-OE1 3.98Å; H215-E227 IonicContact CG-OE1 3.9Å; H215-E227 IonicContact ND1-OE1 3.82Å; H215-E227 PolarHBondContact ND1-OE1 2.62Å; Q225-E227 VanDerWaalsContact C-N 3.34Å; Q225-E227 PolarHBondContact O-N 3.42Å; E227-H231 IonicContact OE2-CE1 2.97Å; E227-H231 PolarHBondContact OE2-CE1 2.79Å; E227-H231 IonicContact OE2-NE2 3.8Å; E227-H231 PolarHBondContact OE2-NE2 2.88Å; E227-H231 VanDerWaalsContact OE2-NE2 3.13Å; E227-M232 HydrophobicContact CB-CE 3.64Å; E227-M232 VanDerWaalsContact CD-CE 3.4Å; E227-M232 HydrophobicContact CG-CE 3.41Å; E227-M232 VanDerWaalsContact CG-CE 3.41Å; E227-T254 WeakPolarHBondContact OE2-CB 3.47Å; E227-T254 PolarHBondContact OE2-OG1 2.88Å |
| 228 | G | 79.2 | Confident | 91.1 | Very high | 27 Ų | 27 | 59.6 Ų | 59.6 | 28% | 0.278 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | 84.8 | 3.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | E224 C226 | E224-G228 WeakPolarHBondContact O-CA 3.13Å; E224-G228 PolarHBondContact O-N 3.32Å; E224-G228 VanDerWaalsContact O-N 3.11Å; C226-G228 PolarHBondContact O-N 3.19Å |
| 229 | G | 81.4 | Confident | 91.2 | Very high | 27 Ų | 27 | 56.4 Ų | 56.4 | 28% | 0.278 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | 76.7 | 20.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | N223 C226 M232 | N223-G229 WeakPolarHBondContact O-CA 3.47Å; C226-G229 PolarHBondContact O-N 3.34Å; G229-M232 WeakPolarHBondContact CA-O 3.44Å |
| 230 | H | 83.1 | Confident | 91.3 | Very high | 112 Ų | 112 | 53.3 Ų | 53.3 | 52% | 0.519 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -84.4 | -34.3 | -174.2 | -73.2 | -58.8 | 0 | 0 | 0 | 114.9 | Q268 | H230-Q268 PolarHBondContact ND1-NE2 3.2Å; H230-Q268 PolarHBondContact O-NE2 2.03Å |
| 231 | H | 89.5 | Confident | 91.3 | Very high | 24 Ų | 24 | 53.8 Ų | 53.8 | 11% | 0.111 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -139.5 | -0 | -177 | 54.1 | 91.9 | 0 | 0 | 0 | 111.9 | E227 E242 F245 T254 C255 | E227-H231 IonicContact OE2-CE1 2.97Å; E227-H231 PolarHBondContact OE2-CE1 2.79Å; E227-H231 IonicContact OE2-NE2 3.8Å; E227-H231 PolarHBondContact OE2-NE2 2.88Å; E227-H231 VanDerWaalsContact OE2-NE2 3.13Å; H231-E242 PolarHBondContact O-N 3.05Å; H231-F245 HydrophobicContact CB-CD1 3.44Å; H231-F245 VanDerWaalsContact CB-CD1 3.44Å; H231-F245 HydrophobicContact CB-CD2 4.37Å; H231-F245 HydrophobicContact CB-CE1 3.42Å; H231-F245 VanDerWaalsContact CB-CE1 3.42Å; H231-F245 HydrophobicContact CB-CE2 4.35Å; H231-F245 HydrophobicContact CB-CG 3.95Å; H231-F245 HydrophobicContact CB-CZ 3.91Å; H231-T254 PolarHBondContact CE1-OG1 2.04Å; H231-C255 PolarHBondContact ND1-N 3.39Å; H231-C255 PolarHBondContact ND1-O 2.02Å |
| 232 | M | 93.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 146.7 | 178.9 | -72.7 | -174.6 | -58.7 | 0 | 0 | 109.8 | Y216 C226 E227 G229 C239 G240 C255 | Y216-M232 HydrophobicContact CD2-SD 4.3Å; C226-M232 HydrophobicContact CB-CB 3.56Å; C226-M232 HydrophobicContact CB-CE 4.26Å; E227-M232 HydrophobicContact CB-CE 3.64Å; E227-M232 VanDerWaalsContact CD-CE 3.4Å; E227-M232 HydrophobicContact CG-CE 3.41Å; E227-M232 VanDerWaalsContact CG-CE 3.41Å; G229-M232 WeakPolarHBondContact CA-O 3.44Å; M232-C239 HydrophobicContact SD-CB 4.37Å; M232-G240 CarbonylContact C-O 3.54Å; M232-G240 WeakPolarHBondContact CA-O 3.45Å; M232-C255 HydrophobicContact CG-CB 3.93Å; M232-C255 WeakPolarHBondContact CG-SG 3.34Å; M232-C255 VanDerWaalsContact SD-SG 3.7Å |
| 233 | T | 94.5 | Very high | 91 | Very high | 22 Ų | 22 | 55 Ų | 55 | 14% | 0.135 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 150.6 | 175.8 | 47.4 | 0 | 0 | 0 | 0 | 108.9 | K235 G240 | T233-K235 PolarHBondContact O-N 2.83Å; T233-K235 VanDerWaalsContact O-N 3.11Å; T233-K235 WeakPolarHBondContact OG1-CE 3.26Å; T233-G240 PolarHBondContact N-O 2.8Å; T233-G240 PolarHBondContact O-N 2.87Å |
| 234 | C | 94.7 | Very high | 90.7 | Very high | 26 Ų | 26 | 54.6 Ų | 54.6 | 18% | 0.176 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 94.7 | 178.2 | -170.1 | 0 | 0 | 0 | 0 | 109.5 | C220 N223 | C220-C234 HydrophobicContact CB-CB 3.88Å; C220-C234 WeakPolarHBondContact CB-SG 3.43Å; C220-C234 PolarHBondContact O-SG 3.43Å; C220-C234 WeakPolarHBondContact SG-CA 3.04Å; C220-C234 WeakPolarHBondContact SG-CB 3.46Å; C220-C234 CovalentContact SG-SG 2.03Å; C220-C234 PolarHBondContact SG-SG 3.44Å; N223-C234 PolarHBondContact OD1-N 3.46Å |
| 235 | K | 94 | Very high | 90.7 | Very high | 103 Ų | 103 | 53 Ų | 53 | 45% | 0.448 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 122.7 | 179.2 | -61.1 | -176.1 | -170.5 | 172.7 | 0 | 108.9 | T233 G237 R238 C241 | T233-K235 PolarHBondContact O-N 2.83Å; T233-K235 VanDerWaalsContact O-N 3.11Å; T233-K235 WeakPolarHBondContact OG1-CE 3.26Å; K235-G237 PolarHBondContact O-N 3.31Å; K235-R238 PolarHBondContact N-O 2.9Å; K235-R238 PolarHBondContact O-N 2.83Å; K235-C241 PolarHBondContact NZ-O 2.89Å |
| 236 | Q | 93.9 | Very high | 90.6 | Very high | 204 Ų | 204 | 57.3 Ų | 57.3 | 95% | 0.953 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 36.8 | 177.7 | -57.6 | 176.3 | -15.4 | 0 | 0 | 113 | R238 | Q236-R238 VanDerWaalsContact C-N 3.31Å; Q236-R238 PolarHBondContact O-N 3.36Å |
| 237 | G | 95.1 | Very high | 90.6 | Very high | 36 Ų | 36 | 60.8 Ų | 60.8 | 37% | 0.371 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.4 | 11.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115 | A219 C220 K235 | A219-G237 CarbonylContact C-O 3.56Å; A219-G237 VanDerWaalsContact CA-O 3.32Å; A219-G237 WeakPolarHBondContact CA-O 3.08Å; C220-G237 PolarHBondContact N-O 3.01Å; C220-G237 WeakPolarHBondContact O-CA 3.32Å; C220-G237 VanDerWaalsContact SG-C 3.5Å; K235-G237 PolarHBondContact O-N 3.31Å |
| 238 | R | 96.3 | Very high | 90.7 | Very high | 167 Ų | 167 | 64 Ų | 64 | 63% | 0.63 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 145.9 | 173.7 | -66.5 | -175.3 | 176.7 | -139.3 | 4.1 | 112.9 | D218 C220 K235 Q236 G240 | D218-R238 CarbonylContact O-C 3.47Å; D218-R238 WeakPolarHBondContact O-CA 3.02Å; C220-R238 WeakPolarHBondContact SG-CA 3.37Å; C220-R238 PolarHBondContact SG-N 3.18Å; C220-R238 VanDerWaalsContact SG-N 3.4Å; K235-R238 PolarHBondContact N-O 2.9Å; K235-R238 PolarHBondContact O-N 2.83Å; Q236-R238 VanDerWaalsContact C-N 3.31Å; Q236-R238 PolarHBondContact O-N 3.36Å; R238-G240 PolarHBondContact O-N 2.84Å |
| 239 | C | 95.6 | Very high | 91 | Very high | 3 Ų | 3 | 69.1 Ų | 69.1 | 2% | 0.02 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 121 | 175.9 | -68.2 | 0 | 0 | 0 | 0 | 110.3 | A214 H215 G217 D218 C220 C226 M232 | A214-C239 WeakPolarHBondContact CB-SG 3.32Å; H215-C239 WeakPolarHBondContact O-CB 3.36Å; G217-C239 PolarHBondContact N-O 3.45Å; D218-C239 PolarHBondContact O-N 2.86Å; C220-C239 PolarHBondContact SG-N 3.39Å; C220-C239 VanDerWaalsContact SG-N 3.4Å; C226-C239 WeakPolarHBondContact CA-SG 2.95Å; C226-C239 HydrophobicContact CB-CB 3.69Å; C226-C239 WeakPolarHBondContact CB-SG 3.43Å; C226-C239 WeakPolarHBondContact SG-CA 3.45Å; C226-C239 WeakPolarHBondContact SG-CB 3.33Å; C226-C239 CovalentContact SG-SG 2.04Å; C226-C239 PolarHBondContact SG-SG 2.94Å; M232-C239 HydrophobicContact SD-CB 4.37Å |
| 240 | G | 95.2 | Very high | 91.1 | Very high | 14 Ų | 14 | 69.4 Ų | 69.4 | 14% | 0.144 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 156.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | M232 T233 R238 | M232-G240 CarbonylContact C-O 3.54Å; M232-G240 WeakPolarHBondContact CA-O 3.45Å; T233-G240 PolarHBondContact N-O 2.8Å; T233-G240 PolarHBondContact O-N 2.87Å; R238-G240 PolarHBondContact O-N 2.84Å |
| 241 | C | 93.7 | Very high | 91.1 | Very high | 20 Ų | 20 | 70.5 Ų | 70.5 | 14% | 0.135 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 140 | -178.7 | -52.4 | 0 | 0 | 0 | 0 | 112 | K235 F245 P247 C255 | K235-C241 PolarHBondContact NZ-O 2.89Å; C241-F245 HydrophobicContact CB-CB 4.11Å; C241-F245 WeakPolarHBondContact CB-O 3.36Å; C241-P247 VanDerWaalsContact SG-N 3.44Å; C241-C255 WeakPolarHBondContact CA-SG 3.41Å; C241-C255 HydrophobicContact CB-CB 3.67Å; C241-C255 WeakPolarHBondContact CB-SG 3.06Å; C241-C255 PolarHBondContact N-SG 3.23Å; C241-C255 WeakPolarHBondContact SG-CB 2.93Å; C241-C255 CovalentContact SG-SG 2.03Å; C241-C255 PolarHBondContact SG-SG 3.2Å |
| 242 | E | 91.7 | Very high | 90.8 | Very high | 82 Ų | 82 | 75.6 Ų | 75.6 | 38% | 0.383 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -73 | 161.8 | 167.7 | -169 | 162.1 | -157.5 | 0 | 0 | 111.1 | H231 G244 F245 | H231-E242 PolarHBondContact O-N 3.05Å; E242-G244 PolarHBondContact O-N 3.24Å; E242-F245 HydrophobicContact CB-CD2 4.11Å; E242-F245 WeakPolarHBondContact O-CB 3.29Å; E242-F245 PolarHBondContact O-N 3.3Å |
| 243 | S | 88.2 | Confident | 90.6 | Very high | 111 Ų | 111 | 78.1 Ų | 78.1 | 78% | 0.776 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | 129.4 | 177.6 | -61.1 | 0 | 0 | 0 | 0 | 111.3 | ||
| 244 | G | 85.8 | Confident | 90.4 | Very high | 59 Ų | 59 | 78 Ų | 78 | 61% | 0.608 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.4 | -4.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | E242 | E242-G244 PolarHBondContact O-N 3.24Š|
| 245 | F | 89.7 | Confident | 90.2 | Very high | 28 Ų | 28 | 76.9 Ų | 76.9 | 12% | 0.123 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 144.8 | 173.5 | -62.7 | -98.9 | 0 | 0 | 0 | 111 | H231 C241 E242 C255 K256 R257 E265 Q268 | H231-F245 HydrophobicContact CB-CD1 3.44Å; H231-F245 VanDerWaalsContact CB-CD1 3.44Å; H231-F245 HydrophobicContact CB-CD2 4.37Å; H231-F245 HydrophobicContact CB-CE1 3.42Å; H231-F245 VanDerWaalsContact CB-CE1 3.42Å; H231-F245 HydrophobicContact CB-CE2 4.35Å; H231-F245 HydrophobicContact CB-CG 3.95Å; H231-F245 HydrophobicContact CB-CZ 3.91Å; C241-F245 HydrophobicContact CB-CB 4.11Å; C241-F245 WeakPolarHBondContact CB-O 3.36Å; E242-F245 HydrophobicContact CB-CD2 4.11Å; E242-F245 WeakPolarHBondContact O-CB 3.29Å; E242-F245 PolarHBondContact O-N 3.3Å; F245-C255 HydrophobicContact CB-CB 3.96Å; F245-K256 WeakPolarHBondContact CA-O 3.33Å; F245-R257 HydrophobicContact CD1-CB 3.91Å; F245-R257 VanDerWaalsContact CD1-N 3.34Å; F245-R257 HydrophobicContact CE1-CB 3.74Å; F245-R257 HydrophobicContact CE1-CG 4.35Å; F245-R257 HydrophobicContact CZ-CB 4.37Å; F245-E265 WeakPolarHBondContact CE1-OE1 3.34Å; F245-Q268 HydrophobicContact CZ-CB 4.36Å; F245-Q268 HydrophobicContact CZ-CG 4.4Å |
| 246 | E | 90 | Very high | 89.9 | Confident | 94 Ų | 94 | 76.4 Ų | 76.4 | 44% | 0.439 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 149.6 | 177.5 | -69.7 | 178.8 | -176.9 | 0 | 0 | 110.2 | Y248 C255 K256 R258 | E246-Y248 PolarHBondContact O-N 3.37Å; E246-C255 CarbonylContact O-C 3.59Å; E246-C255 VanDerWaalsContact O-CA 3.32Å; E246-C255 WeakPolarHBondContact O-CA 3.01Å; E246-K256 PolarHBondContact N-O 3.48Å; E246-K256 PolarHBondContact O-N 3.48Å; E246-R258 WeakPolarHBondContact OE1-CD 3.45Å; E246-R258 IonicContact OE1-NH1 3.28Å; E246-R258 PolarHBondContact OE1-NH1 3.34Å; E246-R258 IonicContact OE2-NH1 3.8Å |
| 247 | P | 91.4 | Very high | 89.6 | Confident | 73 Ų | 73 | 70.9 Ų | 70.9 | 47% | 0.474 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 134.2 | 175.2 | -21.3 | 32.2 | 0 | 0 | 0 | 111.5 | Y216 C241 | Y216-P247 HydrophobicContact CE1-CB 4.01Å; Y216-P247 HydrophobicContact CE1-CG 4.31Å; Y216-P247 HydrophobicContact CE2-CB 4.19Å; Y216-P247 HydrophobicContact CE2-CG 3.91Å; Y216-P247 WeakPolarHBondContact OH-CG 3.32Å; C241-P247 VanDerWaalsContact SG-N 3.44Å |
| 248 | Y | 88.7 | Confident | 89.1 | Confident | 111 Ų | 111 | 78 Ų | 78 | 44% | 0.435 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 116.2 | 177.3 | 177.7 | -95.5 | 0 | 0 | 0 | 109.9 | E246 G250 T254 K256 | E246-Y248 PolarHBondContact O-N 3.37Å; Y248-G250 PolarHBondContact O-N 2.73Å; Y248-G250 VanDerWaalsContact O-N 3.14Å; Y248-T254 HydrophobicContact CD1-CG2 3.97Å; Y248-T254 PolarHBondContact N-O 2.6Å; Y248-T254 PolarHBondContact O-N 2.95Å; Y248-K256 HydrophobicContact CD1-CD 3.84Å; Y248-K256 HydrophobicContact CD1-CG 4.42Å; Y248-K256 HydrophobicContact CD2-CD 4.04Å; Y248-K256 HydrophobicContact CE1-CD 4.33Å; Y248-K256 HydrophobicContact CE2-CD 4.49Å; Y248-K256 HydrophobicContact CG-CD 3.69Å; Y248-K256 HydrophobicContact CG-CG 4.15Å |
| 249 | N | 86.4 | Confident | 88.6 | Confident | 135 Ų | 135 | 71.3 Ų | 71.3 | 72% | 0.722 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 87.2 | 175.9 | -77 | -17.6 | 0 | 0 | 0 | 110.2 | ||
| 250 | G | 83.2 | Confident | 88 | Confident | 33 Ų | 33 | 75.4 Ų | 75.4 | 34% | 0.34 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -95.3 | -160.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y248 F252 | Y248-G250 PolarHBondContact O-N 2.73Å; Y248-G250 VanDerWaalsContact O-N 3.14Å; G250-F252 PolarHBondContact O-N 3.36Å |
| 251 | T | 82.9 | Confident | 87.3 | Confident | 136 Ų | 136 | 83 Ų | 83 | 83% | 0.834 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -54.3 | -36.2 | 169.6 | -46.4 | 0 | 0 | 0 | 0 | 111.7 | ||
| 252 | F | 82.5 | Confident | 86.7 | Confident | 130 Ų | 130 | 88 Ų | 88 | 57% | 0.57 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -119.8 | 126.9 | 167.1 | -58.3 | -77.7 | 0 | 0 | 0 | 107.9 | H215 G250 T254 | H215-F252 AromaticContact NE2-CD1 3.82Å; G250-F252 PolarHBondContact O-N 3.36Å; F252-T254 PolarHBondContact O-N 3.42Å |
| 253 | P | 89.2 | Confident | 86.4 | Confident | 53 Ų | 53 | 85 Ų | 85 | 34% | 0.344 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.4 | 123 | 173.4 | -24.3 | 34.6 | 0 | 0 | 0 | 110.7 | Y216 | Y216-P253 WeakPolarHBondContact CB-O 3.04Å; Y216-P253 HydrophobicContact CD1-CB 4.42Å; Y216-P253 PolarHBondContact N-O 2.78Å |
| 254 | T | 90.2 | Very high | 86.2 | Confident | 20 Ų | 20 | 81.3 Ų | 81.3 | 12% | 0.123 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | -178.6 | -174.6 | -178 | 0 | 0 | 0 | 0 | 109.8 | E227 H231 Y248 F252 | E227-T254 WeakPolarHBondContact OE2-CB 3.47Å; E227-T254 PolarHBondContact OE2-OG1 2.88Å; H231-T254 PolarHBondContact CE1-OG1 2.04Å; Y248-T254 HydrophobicContact CD1-CG2 3.97Å; Y248-T254 PolarHBondContact N-O 2.6Å; Y248-T254 PolarHBondContact O-N 2.95Å; F252-T254 PolarHBondContact O-N 3.42Å |
| 255 | C | 90.9 | Very high | 86 | Confident | 3 Ų | 3 | 81.5 Ų | 81.5 | 2% | 0.02 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 137 | 171.1 | -56.9 | 0 | 0 | 0 | 0 | 110.1 | Y216 H231 M232 C241 F245 E246 | Y216-C255 VanDerWaalsContact CD2-SG 3.52Å; H231-C255 PolarHBondContact ND1-N 3.39Å; H231-C255 PolarHBondContact ND1-O 2.02Å; M232-C255 HydrophobicContact CG-CB 3.93Å; M232-C255 WeakPolarHBondContact CG-SG 3.34Å; M232-C255 VanDerWaalsContact SD-SG 3.7Å; C241-C255 WeakPolarHBondContact CA-SG 3.41Å; C241-C255 HydrophobicContact CB-CB 3.67Å; C241-C255 WeakPolarHBondContact CB-SG 3.06Å; C241-C255 PolarHBondContact N-SG 3.23Å; C241-C255 WeakPolarHBondContact SG-CB 2.93Å; C241-C255 CovalentContact SG-SG 2.03Å; C241-C255 PolarHBondContact SG-SG 3.2Å; F245-C255 HydrophobicContact CB-CB 3.96Å; E246-C255 CarbonylContact O-C 3.59Å; E246-C255 VanDerWaalsContact O-CA 3.32Å; E246-C255 WeakPolarHBondContact O-CA 3.01Å |
| 256 | K | 87.8 | Confident | 85.5 | Confident | 92 Ų | 92 | 81.3 Ų | 81.3 | 40% | 0.4 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 150.4 | 177.7 | -71.5 | -172.3 | 177.7 | 176.1 | 0 | 110.9 | F245 E246 Y248 | F245-K256 WeakPolarHBondContact CA-O 3.33Å; E246-K256 PolarHBondContact N-O 3.48Å; E246-K256 PolarHBondContact O-N 3.48Å; Y248-K256 HydrophobicContact CD1-CD 3.84Å; Y248-K256 HydrophobicContact CD1-CG 4.42Å; Y248-K256 HydrophobicContact CD2-CD 4.04Å; Y248-K256 HydrophobicContact CE1-CD 4.33Å; Y248-K256 HydrophobicContact CE2-CD 4.49Å; Y248-K256 HydrophobicContact CG-CD 3.69Å; Y248-K256 HydrophobicContact CG-CG 4.15Å |
| 257 | R | 88.2 | Confident | 84.9 | Confident | 89 Ų | 89 | 81 Ų | 81 | 34% | 0.336 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 133 | 175.4 | -158.4 | 170.4 | 95.3 | 132.3 | 7.1 | 109.5 | F245 C259 E265 Q268 C270 | F245-R257 HydrophobicContact CD1-CB 3.91Å; F245-R257 VanDerWaalsContact CD1-N 3.34Å; F245-R257 HydrophobicContact CE1-CB 3.74Å; F245-R257 HydrophobicContact CE1-CG 4.35Å; F245-R257 HydrophobicContact CZ-CB 4.37Å; R257-C259 PolarHBondContact O-N 2.05Å; R257-C259 VanDerWaalsContact O-N 3.12Å; R257-E265 VanDerWaalsContact CB-CD 3.45Å; R257-E265 HydrophobicContact CB-CG 3.98Å; R257-E265 WeakPolarHBondContact CB-OE2 3.49Å; R257-E265 PolarHBondContact N-OE2 2.88Å; R257-Q268 VanDerWaalsContact CD-O 3.28Å; R257-Q268 WeakPolarHBondContact CD-O 3.37Å; R257-Q268 PolarHBondContact NE-O 3.48Å; R257-Q268 PolarHBondContact NH1-O 3.48Å; R257-C270 VanDerWaalsContact CZ-SG 3.53Å; R257-C270 PolarHBondContact NE-SG 3.05Å; R257-C270 PolarHBondContact NH2-SG 3.07Å |
| 258 | R | 82.9 | Confident | 84.1 | Confident | 184 Ų | 184 | 81.6 Ų | 81.6 | 69% | 0.694 | 43% | 0.427 | S | S | * | . | trans | -76.7 | 104.6 | 174.4 | -163.8 | 170 | -174.3 | 175.6 | 0.1 | 109.9 | E246 | E246-R258 WeakPolarHBondContact OE1-CD 3.45Å; E246-R258 IonicContact OE1-NH1 3.28Å; E246-R258 PolarHBondContact OE1-NH1 3.34Å; E246-R258 IonicContact OE2-NH1 3.8Å | ||
| 259 | C | 85.8 | Confident | 83.9 | Confident | 27 Ų | 27 | 81.6 Ų | 81.6 | 18% | 0.182 | 43% | 0.431 | C | S | . | . | P | Polyproline II helix | trans | -86.3 | 148 | 171.7 | -66 | 0 | 0 | 0 | 0 | 111.5 | R257 A263 E265 C270 | R257-C259 PolarHBondContact O-N 2.05Å; R257-C259 VanDerWaalsContact O-N 3.12Å; C259-A263 HydrophobicContact CB-CB 3.97Å; C259-E265 PolarHBondContact SG-N 2.83Å; C259-E265 VanDerWaalsContact SG-N 3.41Å; C259-C270 WeakPolarHBondContact CA-SG 3.45Å; C259-C270 HydrophobicContact CB-CB 3.83Å; C259-C270 WeakPolarHBondContact CB-SG 3.34Å; C259-C270 VanDerWaalsContact SG-CA 3.58Å; C259-C270 WeakPolarHBondContact SG-CB 3.28Å; C259-C270 CovalentContact SG-SG 2.03Å; C259-C270 PolarHBondContact SG-SG 3.05Å |
| 260 | P | 85 | Confident | 83.9 | Confident | 89 Ų | 89 | 76.9 Ų | 76.9 | 58% | 0.578 | 41% | 0.408 | S | S | * | . | P | Polyproline II helix | trans | -60.1 | 160.5 | 172.1 | 24 | -31.4 | 0 | 0 | 0 | 110.9 | N262 A263 | P260-N262 PolarHBondContact O-N 3.01Å; P260-A263 HydrophobicContact CG-CB 3.9Å; P260-A263 WeakPolarHBondContact O-CB 3.28Å; P260-A263 PolarHBondContact O-N 3.31Å |
| 261 | M | 78.9 | Confident | 84.1 | Confident | 174 Ų | 174 | 78.1 Ų | 78.1 | 86% | 0.857 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | 136.2 | 175.7 | -67 | -64.5 | -73.5 | 0 | 0 | 110.6 | A263 | M261-A263 PolarHBondContact O-N 3.24Š|
| 262 | N | 81.8 | Confident | 84.5 | Confident | 125 Ų | 125 | 81.3 Ų | 81.3 | 67% | 0.668 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.9 | 10.8 | -173.3 | -50.3 | -47.3 | 0 | 0 | 0 | 116.1 | P260 R273 | P260-N262 PolarHBondContact O-N 3.01Å; N262-R273 WeakPolarHBondContact O-CB 3.46Å; N262-R273 PolarHBondContact O-N 3.46Å |
| 263 | A | 86 | Confident | 84.8 | Confident | 18 Ų | 18 | 83.2 Ų | 83.2 | 15% | 0.149 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 159.9 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | C259 P260 M261 C270 Y271 | C259-A263 HydrophobicContact CB-CB 3.97Å; P260-A263 HydrophobicContact CG-CB 3.9Å; P260-A263 WeakPolarHBondContact O-CB 3.28Å; P260-A263 PolarHBondContact O-N 3.31Å; M261-A263 PolarHBondContact O-N 3.24Å; A263-C270 HydrophobicContact CB-CB 4.29Å; A263-Y271 CarbonylContact C-O 3.5Å; A263-Y271 WeakPolarHBondContact CA-O 3.48Å; A263-Y271 WeakPolarHBondContact CB-O 3.42Å |
| 264 | M | 82.4 | Confident | 84.9 | Confident | 34 Ų | 34 | 81.5 Ų | 81.5 | 17% | 0.167 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 155.6 | 177.3 | 65 | -178.5 | -179.2 | 0 | 0 | 109.5 | I266 C270 Y271 Q284 Q285 | M264-I266 HydrophobicContact CE-CD1 3.37Å; M264-I266 HydrophobicContact CE-CG1 3.94Å; M264-I266 HydrophobicContact CG-CG1 4.45Å; M264-C270 CarbonylContact O-C 3.53Å; M264-C270 WeakPolarHBondContact O-CA 3.23Å; M264-Y271 PolarHBondContact N-O 3.02Å; M264-Y271 PolarHBondContact O-N 3.04Å; M264-Q284 HydrophobicContact CE-CB 3.65Å; M264-Q284 WeakPolarHBondContact CE-O 3.2Å; M264-Q284 HydrophobicContact SD-CB 4.11Å; M264-Q285 VanDerWaalsContact CE-CA 3.44Å; M264-Q285 HydrophobicContact CE-CB 4.05Å; M264-Q285 HydrophobicContact CE-CG 3.49Å; M264-Q285 VanDerWaalsContact CE-CG 3.49Å; M264-Q285 VanDerWaalsContact CE-N 3.27Å |
| 265 | E | 82.6 | Confident | 85 | Confident | 63 Ų | 63 | 87.7 Ų | 87.7 | 29% | 0.294 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 128.2 | 178.9 | -169.6 | -171.8 | 173.5 | 0 | 0 | 110.8 | F245 R257 C259 Q268 Q269 | F245-E265 WeakPolarHBondContact CE1-OE1 3.34Å; R257-E265 VanDerWaalsContact CB-CD 3.45Å; R257-E265 HydrophobicContact CB-CG 3.98Å; R257-E265 WeakPolarHBondContact CB-OE2 3.49Å; R257-E265 PolarHBondContact N-OE2 2.88Å; C259-E265 PolarHBondContact SG-N 2.83Å; C259-E265 VanDerWaalsContact SG-N 3.41Å; E265-Q268 WeakPolarHBondContact OE1-CA 3.44Å; E265-Q269 CarbonylContact C-O 3.41Å; E265-Q269 VanDerWaalsContact CA-O 3.29Å; E265-Q269 WeakPolarHBondContact CA-O 3.22Å |
| 266 | I | 79.9 | Confident | 85 | Confident | 24 Ų | 24 | 89.1 Ų | 89.1 | 12% | 0.123 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 125.5 | 167.7 | -52.8 | 163.1 | 0 | 0 | 0 | 106.4 | M264 Q268 Q269 Y271 I282 Q285 | M264-I266 HydrophobicContact CE-CD1 3.37Å; M264-I266 HydrophobicContact CE-CG1 3.94Å; M264-I266 HydrophobicContact CG-CG1 4.45Å; I266-Q268 VanDerWaalsContact C-N 3.31Å; I266-Q268 PolarHBondContact O-N 2.91Å; I266-Q269 PolarHBondContact N-O 3.34Å; I266-Q269 PolarHBondContact O-N 2.75Å; I266-Q269 VanDerWaalsContact O-O 3.1Å; I266-Y271 HydrophobicContact CB-CD2 3.59Å; I266-Y271 HydrophobicContact CB-CE2 3.79Å; I266-Y271 HydrophobicContact CD1-CD2 3.64Å; I266-Y271 HydrophobicContact CD1-CE2 4.39Å; I266-Y271 HydrophobicContact CD1-CG 3.81Å; I266-Y271 HydrophobicContact CG1-CD2 3.91Å; I266-Y271 WeakPolarHBondContact O-CE2 3.43Å; I266-I282 HydrophobicContact CD1-CG2 3.17Å; I266-I282 HydrophobicContact CG1-CG2 4.34Å; I266-I282 HydrophobicContact CG2-CD1 4.23Å; I266-I282 HydrophobicContact CG2-CG2 4.46Å; I266-Q285 HydrophobicContact CD1-CG 4.09Å |
| 267 | A | 75.5 | Confident | 85 | Confident | 89 Ų | 89 | 90.9 Ų | 90.9 | 74% | 0.736 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.6 | 50.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q269 | A267-Q269 PolarHBondContact O-N 3.48Å; A267-Q269 VanDerWaalsContact O-N 3.13Å |
| 268 | Q | 76 | Confident | 85.2 | Confident | 85 Ų | 85 | 91.1 Ų | 91.1 | 40% | 0.397 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.5 | 6.1 | 179.5 | -49.5 | 172.4 | 16.7 | 0 | 0 | 115.9 | H230 F245 R257 E265 I266 | H230-Q268 PolarHBondContact ND1-NE2 3.2Å; H230-Q268 PolarHBondContact O-NE2 2.03Å; F245-Q268 HydrophobicContact CZ-CB 4.36Å; F245-Q268 HydrophobicContact CZ-CG 4.4Å; R257-Q268 VanDerWaalsContact CD-O 3.28Å; R257-Q268 WeakPolarHBondContact CD-O 3.37Å; R257-Q268 PolarHBondContact NE-O 3.48Å; R257-Q268 PolarHBondContact NH1-O 3.48Å; E265-Q268 WeakPolarHBondContact OE1-CA 3.44Å; I266-Q268 VanDerWaalsContact C-N 3.31Å; I266-Q268 PolarHBondContact O-N 2.91Å |
| 269 | Q | 83.2 | Confident | 85.7 | Confident | 110 Ų | 110 | 86 Ų | 86 | 51% | 0.514 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 150.8 | 177.2 | -67.4 | -177 | -0.9 | 0 | 0 | 111.3 | E265 I266 A267 Y271 | E265-Q269 CarbonylContact C-O 3.41Å; E265-Q269 VanDerWaalsContact CA-O 3.29Å; E265-Q269 WeakPolarHBondContact CA-O 3.22Å; I266-Q269 PolarHBondContact N-O 3.34Å; I266-Q269 PolarHBondContact O-N 2.75Å; I266-Q269 VanDerWaalsContact O-O 3.1Å; A267-Q269 PolarHBondContact O-N 3.48Å; A267-Q269 VanDerWaalsContact O-N 3.13Å; Q269-Y271 HydrophobicContact CB-CD2 4.32Å; Q269-Y271 HydrophobicContact CB-CE2 3.62Å; Q269-Y271 WeakPolarHBondContact O-CD2 3.23Å; Q269-Y271 PolarHBondContact OE1-OH 2.97Å |
| 270 | C | 87.1 | Confident | 86 | Confident | 36 Ų | 36 | 85 Ų | 85 | 24% | 0.243 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 116.7 | -179.3 | -69.3 | 0 | 0 | 0 | 0 | 108.8 | R257 C259 A263 M264 | R257-C270 VanDerWaalsContact CZ-SG 3.53Å; R257-C270 PolarHBondContact NE-SG 3.05Å; R257-C270 PolarHBondContact NH2-SG 3.07Å; C259-C270 WeakPolarHBondContact CA-SG 3.45Å; C259-C270 HydrophobicContact CB-CB 3.83Å; C259-C270 WeakPolarHBondContact CB-SG 3.34Å; C259-C270 VanDerWaalsContact SG-CA 3.58Å; C259-C270 WeakPolarHBondContact SG-CB 3.28Å; C259-C270 CovalentContact SG-SG 2.03Å; C259-C270 PolarHBondContact SG-SG 3.05Å; A263-C270 HydrophobicContact CB-CB 4.29Å; M264-C270 CarbonylContact O-C 3.53Å; M264-C270 WeakPolarHBondContact O-CA 3.23Å |
| 271 | Y | 88.3 | Confident | 86.2 | Confident | 59 Ų | 59 | 88.8 Ų | 88.8 | 23% | 0.231 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 137.8 | 176 | -68.6 | -93 | 0 | 0 | 0 | 109.3 | A263 M264 I266 Q269 F281 | A263-Y271 CarbonylContact C-O 3.5Å; A263-Y271 WeakPolarHBondContact CA-O 3.48Å; A263-Y271 WeakPolarHBondContact CB-O 3.42Å; M264-Y271 PolarHBondContact N-O 3.02Å; M264-Y271 PolarHBondContact O-N 3.04Å; I266-Y271 HydrophobicContact CB-CD2 3.59Å; I266-Y271 HydrophobicContact CB-CE2 3.79Å; I266-Y271 HydrophobicContact CD1-CD2 3.64Å; I266-Y271 HydrophobicContact CD1-CE2 4.39Å; I266-Y271 HydrophobicContact CD1-CG 3.81Å; I266-Y271 HydrophobicContact CG1-CD2 3.91Å; I266-Y271 WeakPolarHBondContact O-CE2 3.43Å; Q269-Y271 HydrophobicContact CB-CD2 4.32Å; Q269-Y271 HydrophobicContact CB-CE2 3.62Å; Q269-Y271 WeakPolarHBondContact O-CD2 3.23Å; Q269-Y271 PolarHBondContact OE1-OH 2.97Å; Y271-F281 AromaticContact CD1-CD2 3.95Å; Y271-F281 HydrophobicContact CD1-CD2 3.95Å; Y271-F281 HydrophobicContact CE1-CD2 4Å; Y271-F281 HydrophobicContact CE1-CG 4.47Å |
| 272 | R | 90.2 | Very high | 86.7 | Confident | 204 Ų | 204 | 83.4 Ų | 83.4 | 77% | 0.77 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69 | 138.8 | 173.1 | -67.4 | -177.4 | 179.4 | 174.1 | 0.3 | 109.2 | Q285 | R272-Q285 PolarHBondContact O-NE2 2.96Å |
| 273 | R | 90 | Very high | 87 | Confident | 169 Ų | 169 | 81.5 Ų | 81.5 | 64% | 0.638 | 41% | 0.405 | S | S | * | . | trans | -62.7 | 141 | 160.5 | -67.9 | -175.8 | 170.3 | -163.8 | -3.4 | 108.5 | N262 Q285 | N262-R273 WeakPolarHBondContact O-CB 3.46Å; N262-R273 PolarHBondContact O-N 3.46Å; R273-Q285 WeakPolarHBondContact CA-O 3.27Å | ||
| 274 | T | 91.2 | Very high | 87.2 | Confident | 17 Ų | 17 | 86.2 Ų | 86.2 | 10% | 0.104 | 42% | 0.424 | C | S | . | . | trans | -119.4 | 167 | -175.8 | 86.9 | 0 | 0 | 0 | 0 | 108.6 | A279 Q285 C297 | T274-A279 WeakPolarHBondContact CG2-O 2.86Å; T274-Q285 HydrophobicContact CG2-CB 3.99Å; T274-Q285 PolarHBondContact N-O 3.13Å; T274-C297 PolarHBondContact OG1-SG 2.93Å | ||
| 275 | K | 91.2 | Very high | 87.6 | Confident | 150 Ų | 150 | 85 Ų | 85 | 65% | 0.652 | 42% | 0.418 | S | S | * | . | trans | -99.8 | 172.9 | 173.6 | -61.6 | 176.4 | -178.3 | 176 | 0 | 109.9 | Q278 C297 | K275-Q278 HydrophobicContact CB-CG 4.11Å; K275-Q278 VanDerWaalsContact O-CB 3.31Å; K275-Q278 WeakPolarHBondContact O-CB 3.48Å; K275-Q278 PolarHBondContact O-N 3.09Å; K275-Q278 VanDerWaalsContact O-N 3.16Å; K275-C297 WeakPolarHBondContact O-CB 3.19Å | ||
| 276 | L | 90.5 | Very high | 88.1 | Confident | 34 Ų | 34 | 82.7 Ų | 82.7 | 18% | 0.178 | 41% | 0.409 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | 146.5 | 168.5 | -62.7 | 174.3 | 0 | 0 | 0 | 110.8 | Q278 P287 A290 C297 C310 | L276-Q278 PolarHBondContact O-N 3.2Å; L276-Q278 VanDerWaalsContact O-N 3.13Å; L276-P287 HydrophobicContact CD2-CG 3.83Å; L276-P287 HydrophobicContact CG-CG 4.02Å; L276-A290 HydrophobicContact CD2-CB 3.74Å; L276-C297 WeakPolarHBondContact CA-O 3.06Å; L276-C310 WeakPolarHBondContact CD2-SG 3.34Å |
| 277 | D | 89.1 | Confident | 88.6 | Confident | 129 Ų | 129 | 83.5 Ų | 83.5 | 69% | 0.69 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59 | 12.9 | -174.1 | -73.8 | -21 | 0 | 0 | 0 | 115.3 | C297 | D277-C297 PolarHBondContact N-O 3.19Š|
| 278 | Q | 92.3 | Very high | 89.3 | Confident | 93 Ų | 93 | 89.5 Ų | 89.5 | 44% | 0.435 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -101.8 | 151.5 | 174.7 | -62.1 | -165.7 | -31.1 | 0 | 0 | 112.4 | K275 L276 C280 A296 C297 | K275-Q278 HydrophobicContact CB-CG 4.11Å; K275-Q278 VanDerWaalsContact O-CB 3.31Å; K275-Q278 WeakPolarHBondContact O-CB 3.48Å; K275-Q278 PolarHBondContact O-N 3.09Å; K275-Q278 VanDerWaalsContact O-N 3.16Å; L276-Q278 PolarHBondContact O-N 3.2Å; L276-Q278 VanDerWaalsContact O-N 3.13Å; Q278-C280 PolarHBondContact O-N 3.26Å; Q278-A296 WeakPolarHBondContact O-CA 3.06Å; Q278-C297 PolarHBondContact O-N 2.69Å; Q278-C297 VanDerWaalsContact O-N 3.07Å |
| 279 | A | 92.1 | Very high | 90 | Very high | 77 Ų | 77 | 88 Ų | 88 | 64% | 0.636 | 41% | 0.414 | S | S | * | . | B | Isolated β-bridge | trans | -54.9 | 131.2 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | T274 G295 | T274-A279 WeakPolarHBondContact CG2-O 2.86Å; A279-G295 CarbonylContact C-O 3.52Å; A279-G295 WeakPolarHBondContact CA-O 3.02Å |
| 280 | C | 92.2 | Very high | 90.4 | Very high | 7 Ų | 7 | 83.3 Ų | 83.3 | 5% | 0.047 | 39% | 0.394 | C | S | . | . | trans | -139.8 | 161.2 | 179 | 60.1 | 0 | 0 | 0 | 0 | 110.7 | Q278 Q285 C292 G295 A296 C297 | Q278-C280 PolarHBondContact O-N 3.26Å; C280-Q285 HydrophobicContact CB-CB 4.46Å; C280-C292 HydrophobicContact CB-CB 3.89Å; C280-C292 WeakPolarHBondContact CB-SG 3.5Å; C280-C292 PolarHBondContact O-SG 2.73Å; C280-C292 WeakPolarHBondContact SG-CA 3.3Å; C280-C292 WeakPolarHBondContact SG-CB 3.15Å; C280-C292 CovalentContact SG-SG 2.03Å; C280-C292 PolarHBondContact SG-SG 3.27Å; C280-G295 PolarHBondContact N-O 3.28Å; C280-A296 VanDerWaalsContact SG-CA 3.57Å; C280-A296 PolarHBondContact SG-N 3.44Å; C280-A296 PolarHBondContact SG-O 3.45Å; C280-C297 VanDerWaalsContact CB-SG 3.52Å; C280-C297 PolarHBondContact SG-N 2.95Å | ||
| 281 | F | 90.3 | Very high | 90.7 | Very high | 168 Ų | 168 | 86.6 Ų | 86.6 | 74% | 0.737 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -116.6 | -27.2 | 175.3 | -55.5 | -79.3 | 0 | 0 | 0 | 112.1 | Y271 | Y271-F281 AromaticContact CD1-CD2 3.95Å; Y271-F281 HydrophobicContact CD1-CD2 3.95Å; Y271-F281 HydrophobicContact CE1-CD2 4Å; Y271-F281 HydrophobicContact CE1-CG 4.47Å |
| 282 | I | 88.1 | Confident | 90.9 | Very high | 60 Ų | 60 | 85 Ų | 85 | 31% | 0.308 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -147.7 | 152.1 | 178.7 | -170.5 | 171.3 | 0 | 0 | 0 | 110.8 | I266 Q284 Q285 | I266-I282 HydrophobicContact CD1-CG2 3.17Å; I266-I282 HydrophobicContact CG1-CG2 4.34Å; I266-I282 HydrophobicContact CG2-CD1 4.23Å; I266-I282 HydrophobicContact CG2-CG2 4.46Å; I282-Q284 HydrophobicContact CG2-CB 4.34Å; I282-Q284 PolarHBondContact O-N 2.83Å; I282-Q284 VanDerWaalsContact O-N 3.1Å; I282-Q285 HydrophobicContact CG2-CG 4.07Å; I282-Q285 WeakPolarHBondContact O-CB 3.34Å; I282-Q285 PolarHBondContact O-N 3.36Å |
| 283 | D | 89.8 | Confident | 91 | Very high | 85 Ų | 85 | 82.2 Ų | 82.2 | 46% | 0.455 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | -51.2 | -36.4 | -178.4 | -60.7 | -18.4 | 0 | 0 | 0 | 113.9 | Q285 C286 R291 C292 | D283-Q285 PolarHBondContact O-N 2.91Å; D283-Q285 VanDerWaalsContact O-N 3.08Å; D283-C286 VanDerWaalsContact O-CB 3.28Å; D283-C286 WeakPolarHBondContact O-CB 3.07Å; D283-C286 PolarHBondContact O-N 3.02Å; D283-R291 HydrophobicContact CB-CB 4.5Å; D283-C292 PolarHBondContact OD1-N 2.82Å |
| 284 | Q | 89.8 | Confident | 91 | Very high | 118 Ų | 118 | 83.3 Ų | 83.3 | 55% | 0.551 | 40% | 0.4 | S | S | * | . | G | 310 helix | trans | -60.7 | -23.2 | -178.3 | -64.5 | 170.3 | -5 | 0 | 0 | 112.9 | M264 I282 C286 | M264-Q284 HydrophobicContact CE-CB 3.65Å; M264-Q284 WeakPolarHBondContact CE-O 3.2Å; M264-Q284 HydrophobicContact SD-CB 4.11Å; I282-Q284 HydrophobicContact CG2-CB 4.34Å; I282-Q284 PolarHBondContact O-N 2.83Å; I282-Q284 VanDerWaalsContact O-N 3.1Å; Q284-C286 VanDerWaalsContact C-N 3.29Å |
| 285 | Q | 90.8 | Very high | 91 | Very high | 7 Ų | 7 | 84.2 Ų | 84.2 | 3% | 0.033 | 41% | 0.413 | C | S | . | . | G | 310 helix | trans | -73.8 | -24.7 | 176.8 | -69.7 | -179.2 | -97 | 0 | 0 | 112.7 | M264 I266 R272 R273 T274 C280 I282 D283 | M264-Q285 VanDerWaalsContact CE-CA 3.44Å; M264-Q285 HydrophobicContact CE-CB 4.05Å; M264-Q285 HydrophobicContact CE-CG 3.49Å; M264-Q285 VanDerWaalsContact CE-CG 3.49Å; M264-Q285 VanDerWaalsContact CE-N 3.27Å; I266-Q285 HydrophobicContact CD1-CG 4.09Å; R272-Q285 PolarHBondContact O-NE2 2.96Å; R273-Q285 WeakPolarHBondContact CA-O 3.27Å; T274-Q285 HydrophobicContact CG2-CB 3.99Å; T274-Q285 PolarHBondContact N-O 3.13Å; C280-Q285 HydrophobicContact CB-CB 4.46Å; I282-Q285 HydrophobicContact CG2-CG 4.07Å; I282-Q285 WeakPolarHBondContact O-CB 3.34Å; I282-Q285 PolarHBondContact O-N 3.36Å; D283-Q285 PolarHBondContact O-N 2.91Å; D283-Q285 VanDerWaalsContact O-N 3.08Å |
| 286 | C | 92 | Very high | 91.1 | Very high | 15 Ų | 15 | 78.3 Ų | 78.3 | 10% | 0.101 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -75.6 | 155.9 | -177.4 | -59 | 0 | 0 | 0 | 0 | 111.4 | D283 Q284 A290 R291 C297 | D283-C286 VanDerWaalsContact O-CB 3.28Å; D283-C286 WeakPolarHBondContact O-CB 3.07Å; D283-C286 PolarHBondContact O-N 3.02Å; Q284-C286 VanDerWaalsContact C-N 3.29Å; C286-A290 HydrophobicContact CB-CB 3.87Å; C286-R291 VanDerWaalsContact SG-C 3.51Å; C286-C297 WeakPolarHBondContact CA-SG 3.41Å; C286-C297 HydrophobicContact CB-CB 3.72Å; C286-C297 WeakPolarHBondContact CB-SG 3.48Å; C286-C297 VanDerWaalsContact SG-CA 3.51Å; C286-C297 WeakPolarHBondContact SG-CB 3.43Å; C286-C297 CovalentContact SG-SG 2.03Å; C286-C297 PolarHBondContact SG-SG 2.05Å |
| 287 | P | 90.7 | Very high | 91.3 | Very high | 41 Ų | 41 | 76.7 Ų | 76.7 | 27% | 0.266 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 170.6 | 172.4 | 28.1 | -34.3 | 0 | 0 | 0 | 111.1 | L276 N289 A290 | L276-P287 HydrophobicContact CD2-CG 3.83Å; L276-P287 HydrophobicContact CG-CG 4.02Å; P287-N289 PolarHBondContact O-N 3.23Å; P287-A290 HydrophobicContact CG-CB 3.99Å; P287-A290 WeakPolarHBondContact O-CB 2.98Å; P287-A290 PolarHBondContact O-N 2.77Å; P287-A290 VanDerWaalsContact O-N 3.15Å |
| 288 | R | 89.6 | Confident | 91.5 | Very high | 215 Ų | 215 | 73.8 Ų | 73.8 | 81% | 0.811 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | 138.5 | 179.4 | -163 | 177.8 | -179.7 | -179.7 | -0.1 | 111.1 | A290 | R288-A290 PolarHBondContact O-N 3.18Š|
| 289 | N | 91.5 | Very high | 91.5 | Very high | 55 Ų | 55 | 70.5 Ų | 70.5 | 29% | 0.294 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.3 | 22.9 | -178.1 | -42.2 | -41.8 | 0 | 0 | 0 | 114.5 | P287 D300 F303 C310 | P287-N289 PolarHBondContact O-N 3.23Å; N289-D300 PolarHBondContact O-N 2.86Å; N289-F303 HydrophobicContact CB-CD1 3.53Å; N289-F303 HydrophobicContact CB-CD2 3.84Å; N289-F303 HydrophobicContact CB-CE1 3.56Å; N289-F303 HydrophobicContact CB-CE2 3.84Å; N289-F303 HydrophobicContact CB-CG 3.69Å; N289-F303 HydrophobicContact CB-CZ 3.71Å; N289-F303 VanDerWaalsContact CG-CZ 3.42Å; N289-F303 WeakPolarHBondContact ND2-CE1 3.35Å; N289-C310 HydrophobicContact CB-CB 3.94Å; N289-C310 PolarHBondContact ND2-O 2.95Å; N289-C310 WeakPolarHBondContact O-CB 3.05Å |
| 290 | A | 92.4 | Very high | 91.4 | Very high | 10 Ų | 10 | 68.6 Ų | 68.6 | 8% | 0.083 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 151.4 | 172 | 0 | 0 | 0 | 0 | 0 | 109.9 | L276 C286 P287 R288 E298 | L276-A290 HydrophobicContact CD2-CB 3.74Å; C286-A290 HydrophobicContact CB-CB 3.87Å; P287-A290 HydrophobicContact CG-CB 3.99Å; P287-A290 WeakPolarHBondContact O-CB 2.98Å; P287-A290 PolarHBondContact O-N 2.77Å; P287-A290 VanDerWaalsContact O-N 3.15Å; R288-A290 PolarHBondContact O-N 3.18Å; A290-E298 CarbonylContact C-O 3.55Å; A290-E298 WeakPolarHBondContact CA-O 3.49Å; A290-E298 VanDerWaalsContact CB-O 3.26Å; A290-E298 WeakPolarHBondContact CB-O 3.32Å |
| 291 | R | 92.9 | Very high | 90.9 | Very high | 106 Ų | 106 | 73.9 Ų | 73.9 | 40% | 0.4 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 158.3 | 176.5 | 71.5 | 177.1 | 72.1 | -171.6 | -1.1 | 110.3 | D283 C286 R293 C297 E298 D300 | D283-R291 HydrophobicContact CB-CB 4.5Å; C286-R291 VanDerWaalsContact SG-C 3.51Å; R291-R293 PolarHBondContact O-N 3.45Å; R291-C297 WeakPolarHBondContact O-CA 3.01Å; R291-E298 PolarHBondContact N-O 2.93Å; R291-E298 PolarHBondContact O-N 3.19Å; R291-D300 IonicContact CZ-OD1 2.58Å; R291-D300 IonicContact NE-OD1 2.84Å; R291-D300 PolarHBondContact NE-OD1 3.17Å; R291-D300 IonicContact NH2-OD1 2.71Å; R291-D300 PolarHBondContact NH2-OD1 2.03Å |
| 292 | C | 92.5 | Very high | 90.5 | Very high | 26 Ų | 26 | 68.6 Ų | 68.6 | 18% | 0.176 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 106.4 | 176.1 | -169.8 | 0 | 0 | 0 | 0 | 109.2 | C280 D283 | C280-C292 HydrophobicContact CB-CB 3.89Å; C280-C292 WeakPolarHBondContact CB-SG 3.5Å; C280-C292 PolarHBondContact O-SG 2.73Å; C280-C292 WeakPolarHBondContact SG-CA 3.3Å; C280-C292 WeakPolarHBondContact SG-CB 3.15Å; C280-C292 CovalentContact SG-SG 2.03Å; C280-C292 PolarHBondContact SG-SG 3.27Å; D283-C292 PolarHBondContact OD1-N 2.82Å |
| 293 | R | 91.6 | Very high | 90.5 | Very high | 145 Ų | 145 | 67.9 Ų | 67.9 | 55% | 0.547 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 127.2 | -180 | -161.2 | -177.6 | -154.2 | 172.6 | 1.7 | 109.6 | R291 G295 A296 E298 | R291-R293 PolarHBondContact O-N 3.45Å; R293-G295 PolarHBondContact O-N 2.98Å; R293-A296 PolarHBondContact N-O 3.19Å; R293-A296 PolarHBondContact O-N 2.88Å; R293-E298 HydrophobicContact CB-CB 4.37Å; R293-E298 HydrophobicContact CB-CG 4.27Å; R293-E298 WeakPolarHBondContact CD-OE2 3.42Å; R293-E298 IonicContact NH1-OE2 2.72Å |
| 294 | E | 89.8 | Confident | 90.3 | Very high | 191 Ų | 191 | 70.2 Ų | 70.2 | 89% | 0.893 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 28.8 | -179.5 | -63.2 | 178.6 | -169 | 0 | 0 | 113.4 | ||
| 295 | G | 91.8 | Very high | 89.9 | Confident | 36 Ų | 36 | 70.3 Ų | 70.3 | 37% | 0.371 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.8 | 6.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | A279 C280 R293 | A279-G295 CarbonylContact C-O 3.52Å; A279-G295 WeakPolarHBondContact CA-O 3.02Å; C280-G295 PolarHBondContact N-O 3.28Å; R293-G295 PolarHBondContact O-N 2.98Å |
| 296 | A | 94 | Very high | 89.4 | Confident | 27 Ų | 27 | 70.7 Ų | 70.7 | 22% | 0.223 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 147.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q278 C280 R293 E298 | Q278-A296 WeakPolarHBondContact O-CA 3.06Å; C280-A296 VanDerWaalsContact SG-CA 3.57Å; C280-A296 PolarHBondContact SG-N 3.44Å; C280-A296 PolarHBondContact SG-O 3.45Å; R293-A296 PolarHBondContact N-O 3.19Å; R293-A296 PolarHBondContact O-N 2.88Å; A296-E298 PolarHBondContact O-N 3.34Å |
| 297 | C | 93.7 | Very high | 88.5 | Confident | 0 Ų | 0 | 77.5 Ų | 77.5 | 0% | 0 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 114 | 176.6 | -72.8 | 0 | 0 | 0 | 0 | 111.4 | T274 K275 L276 D277 Q278 C280 C286 R291 | T274-C297 PolarHBondContact OG1-SG 2.93Å; K275-C297 WeakPolarHBondContact O-CB 3.19Å; L276-C297 WeakPolarHBondContact CA-O 3.06Å; D277-C297 PolarHBondContact N-O 3.19Å; Q278-C297 PolarHBondContact O-N 2.69Å; Q278-C297 VanDerWaalsContact O-N 3.07Å; C280-C297 VanDerWaalsContact CB-SG 3.52Å; C280-C297 PolarHBondContact SG-N 2.95Å; C286-C297 WeakPolarHBondContact CA-SG 3.41Å; C286-C297 HydrophobicContact CB-CB 3.72Å; C286-C297 WeakPolarHBondContact CB-SG 3.48Å; C286-C297 VanDerWaalsContact SG-CA 3.51Å; C286-C297 WeakPolarHBondContact SG-CB 3.43Å; C286-C297 CovalentContact SG-SG 2.03Å; C286-C297 PolarHBondContact SG-SG 2.05Å; R291-C297 WeakPolarHBondContact O-CA 3.01Å |
| 298 | E | 93.4 | Very high | 87.9 | Confident | 67 Ų | 67 | 85 Ų | 85 | 31% | 0.313 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 153 | -179.9 | -66.9 | -178.8 | -170.2 | 0 | 0 | 111 | A290 R291 R293 A296 | A290-E298 CarbonylContact C-O 3.55Å; A290-E298 WeakPolarHBondContact CA-O 3.49Å; A290-E298 VanDerWaalsContact CB-O 3.26Å; A290-E298 WeakPolarHBondContact CB-O 3.32Å; R291-E298 PolarHBondContact N-O 2.93Å; R291-E298 PolarHBondContact O-N 3.19Å; R293-E298 HydrophobicContact CB-CB 4.37Å; R293-E298 HydrophobicContact CB-CG 4.27Å; R293-E298 WeakPolarHBondContact CD-OE2 3.42Å; R293-E298 IonicContact NH1-OE2 2.72Å; A296-E298 PolarHBondContact O-N 3.34Å |
| 299 | C | 92.5 | Very high | 87.8 | Confident | 24 Ų | 24 | 77 Ų | 77 | 16% | 0.162 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 141.8 | 174.7 | -63.3 | 0 | 0 | 0 | 0 | 112 | F303 C310 | C299-F303 HydrophobicContact CB-CB 4.06Å; C299-C310 WeakPolarHBondContact CA-SG 3.1Å; C299-C310 HydrophobicContact CB-CB 3.76Å; C299-C310 WeakPolarHBondContact CB-SG 3.14Å; C299-C310 WeakPolarHBondContact SG-CA 3.44Å; C299-C310 WeakPolarHBondContact SG-CB 3.37Å; C299-C310 CovalentContact SG-SG 2.03Å; C299-C310 PolarHBondContact SG-SG 2.99Å |
| 300 | D | 89.8 | Confident | 87.6 | Confident | 37 Ų | 37 | 74.6 Ų | 74.6 | 20% | 0.198 | 39% | 0.393 | C | S | . | . | trans | -55.3 | 153.7 | 169.2 | -80.2 | -34.5 | 0 | 0 | 0 | 111 | N289 R291 A302 F303 | N289-D300 PolarHBondContact O-N 2.86Å; R291-D300 IonicContact CZ-OD1 2.58Å; R291-D300 IonicContact NE-OD1 2.84Å; R291-D300 PolarHBondContact NE-OD1 3.17Å; R291-D300 IonicContact NH2-OD1 2.71Å; R291-D300 PolarHBondContact NH2-OD1 2.03Å; D300-A302 PolarHBondContact O-N 3.32Å; D300-F303 HydrophobicContact CB-CD2 3.71Å; D300-F303 HydrophobicContact CB-CE2 4.32Å; D300-F303 WeakPolarHBondContact O-CA 3.44Å; D300-F303 PolarHBondContact O-N 3.44Å | ||
| 301 | C | 82.1 | Confident | 87.4 | Confident | 118 Ų | 118 | 75.5 Ų | 75.5 | 80% | 0.797 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -29.2 | -173.4 | 51.2 | 0 | 0 | 0 | 0 | 115 | ||
| 302 | A | 82 | Confident | 87 | Confident | 58 Ų | 58 | 72.9 Ų | 72.9 | 48% | 0.479 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -6.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | D300 P313 | D300-A302 PolarHBondContact O-N 3.32Å; A302-P313 WeakPolarHBondContact O-CD 3.39Å |
| 303 | F | 87.2 | Confident | 86.1 | Confident | 45 Ų | 45 | 75.2 Ų | 75.2 | 20% | 0.197 | 41% | 0.406 | C | S | . | . | trans | -116.1 | 150.1 | -173.6 | -63.8 | -99.7 | 0 | 0 | 0 | 110.8 | N289 C299 D300 C310 V311 N312 | N289-F303 HydrophobicContact CB-CD1 3.53Å; N289-F303 HydrophobicContact CB-CD2 3.84Å; N289-F303 HydrophobicContact CB-CE1 3.56Å; N289-F303 HydrophobicContact CB-CE2 3.84Å; N289-F303 HydrophobicContact CB-CG 3.69Å; N289-F303 HydrophobicContact CB-CZ 3.71Å; N289-F303 VanDerWaalsContact CG-CZ 3.42Å; N289-F303 WeakPolarHBondContact ND2-CE1 3.35Å; C299-F303 HydrophobicContact CB-CB 4.06Å; D300-F303 HydrophobicContact CB-CD2 3.71Å; D300-F303 HydrophobicContact CB-CE2 4.32Å; D300-F303 WeakPolarHBondContact O-CA 3.44Å; D300-F303 PolarHBondContact O-N 3.44Å; F303-C310 HydrophobicContact CB-CB 3.87Å; F303-C310 HydrophobicContact CG-CB 4.42Å; F303-V311 WeakPolarHBondContact CA-O 3.31Å; F303-N312 HydrophobicContact CD1-CB 4.06Å; F303-N312 HydrophobicContact CE1-CB 3.86Å | ||
| 304 | K | 85.5 | Confident | 85.3 | Confident | 133 Ų | 133 | 75 Ų | 75 | 58% | 0.578 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 155.8 | 175.2 | -61.7 | -61.6 | -179.9 | -171.6 | 0 | 110 | G306 C310 V311 P313 | K304-G306 PolarHBondContact O-N 3.4Å; K304-G306 VanDerWaalsContact O-N 3.14Å; K304-C310 WeakPolarHBondContact O-CA 3.25Å; K304-V311 PolarHBondContact N-O 2.02Å; K304-V311 PolarHBondContact O-N 2.98Å; K304-P313 HydrophobicContact CG-CG 4.17Å |
| 305 | I | 82.6 | Confident | 84.5 | Confident | 120 Ų | 120 | 69.5 Ų | 69.5 | 62% | 0.615 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 112.1 | 174.7 | -59.9 | 170.9 | 0 | 0 | 0 | 108 | ||
| 306 | G | 79.3 | Confident | 83 | Confident | 16 Ų | 16 | 73.7 Ų | 73.7 | 17% | 0.165 | 41% | 0.413 | C | S | . | . | trans | -89.4 | -164.2 | 163.9 | 0 | 0 | 0 | 0 | 0 | 111 | K304 K308 A309 | K304-G306 PolarHBondContact O-N 3.4Å; K304-G306 VanDerWaalsContact O-N 3.14Å; G306-K308 PolarHBondContact O-N 2.03Å; G306-A309 WeakPolarHBondContact CA-O 3.3Å; G306-A309 PolarHBondContact N-O 3.37Å | ||
| 307 | M | 72.7 | Confident | 81.4 | Confident | 158 Ų | 158 | 79.6 Ų | 79.6 | 78% | 0.778 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -61.5 | -39.3 | -175.4 | -67.6 | -169.5 | 89.5 | 0 | 0 | 114.1 | D320 | M307-D320 PolarHBondContact N-OD2 3.46Š|
| 308 | K | 80 | Confident | 79.7 | Confident | 198 Ų | 198 | 81.2 Ų | 81.2 | 86% | 0.861 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -144.4 | 6.8 | -178.6 | -68.3 | -175.8 | -179.3 | 170.9 | 0 | 113.9 | G306 | G306-K308 PolarHBondContact O-N 2.03Š|
| 309 | A | 86 | Confident | 77.9 | Confident | 46 Ų | 46 | 84.6 Ų | 84.6 | 38% | 0.38 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -151 | 160.8 | -172.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | G306 V311 | G306-A309 WeakPolarHBondContact CA-O 3.3Å; G306-A309 PolarHBondContact N-O 3.37Å; A309-V311 PolarHBondContact O-N 3.11Å |
| 310 | C | 88.2 | Confident | 75.9 | Confident | 5 Ų | 5 | 85.6 Ų | 85.6 | 3% | 0.034 | 47% | 0.472 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 116.7 | 169.8 | -65.8 | 0 | 0 | 0 | 0 | 109.2 | L276 N289 C299 F303 K304 | L276-C310 WeakPolarHBondContact CD2-SG 3.34Å; N289-C310 HydrophobicContact CB-CB 3.94Å; N289-C310 PolarHBondContact ND2-O 2.95Å; N289-C310 WeakPolarHBondContact O-CB 3.05Å; C299-C310 WeakPolarHBondContact CA-SG 3.1Å; C299-C310 HydrophobicContact CB-CB 3.76Å; C299-C310 WeakPolarHBondContact CB-SG 3.14Å; C299-C310 WeakPolarHBondContact SG-CA 3.44Å; C299-C310 WeakPolarHBondContact SG-CB 3.37Å; C299-C310 CovalentContact SG-SG 2.03Å; C299-C310 PolarHBondContact SG-SG 2.99Å; F303-C310 HydrophobicContact CB-CB 3.87Å; F303-C310 HydrophobicContact CG-CB 4.42Å; K304-C310 WeakPolarHBondContact O-CA 3.25Å |
| 311 | V | 88.2 | Confident | 73.9 | Confident | 30 Ų | 30 | 86 Ų | 86 | 18% | 0.182 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 142.9 | -175.1 | -57.9 | 0 | 0 | 0 | 0 | 110.3 | F303 K304 A309 P313 N318 | F303-V311 WeakPolarHBondContact CA-O 3.31Å; K304-V311 PolarHBondContact N-O 2.02Å; K304-V311 PolarHBondContact O-N 2.98Å; A309-V311 PolarHBondContact O-N 3.11Å; V311-P313 WeakPolarHBondContact O-CD 3.35Å; V311-N318 VanDerWaalsContact CB-ND2 3.28Å; V311-N318 WeakPolarHBondContact CB-ND2 3.42Å; V311-N318 VanDerWaalsContact CG2-ND2 3.34Å; V311-N318 WeakPolarHBondContact CG2-ND2 3.43Å |
| 312 | N | 84.3 | Confident | 72.3 | Confident | 51 Ų | 51 | 87.3 Ų | 87.3 | 27% | 0.273 | 48% | 0.477 | S | S | . | . | trans | -79.5 | 119.6 | 174.7 | -176.8 | -0.2 | 0 | 0 | 0 | 107.9 | F303 D314 D315 N318 | F303-N312 HydrophobicContact CD1-CB 4.06Å; F303-N312 HydrophobicContact CE1-CB 3.86Å; N312-D314 PolarHBondContact O-N 2.78Å; N312-D314 PolarHBondContact OD1-N 2.82Å; N312-D315 HydrophobicContact CB-CB 3.96Å; N312-D315 PolarHBondContact O-N 2.8Å; N312-N318 PolarHBondContact O-ND2 2.86Å | ||
| 313 | P | 74.3 | Confident | 70.6 | Confident | 74 Ų | 74 | 89.9 Ų | 89.9 | 48% | 0.481 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -24.1 | 176.3 | 27.6 | -34.3 | 0 | 0 | 0 | 113 | A302 K304 V311 D315 | A302-P313 WeakPolarHBondContact O-CD 3.39Å; K304-P313 HydrophobicContact CG-CG 4.17Å; V311-P313 WeakPolarHBondContact O-CD 3.35Å; P313-D315 VanDerWaalsContact C-N 3.34Å |
| 314 | D | 74.6 | Confident | 68.6 | Low | 142 Ų | 142 | 95.6 Ų | 95.6 | 76% | 0.759 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | 0.6 | -179.2 | -58.3 | -43.8 | 0 | 0 | 0 | 113 | N312 P316 | N312-D314 PolarHBondContact O-N 2.78Å; N312-D314 PolarHBondContact OD1-N 2.82Å; D314-P316 WeakPolarHBondContact O-CD 3.4Å |
| 315 | D | 71.7 | Confident | 66.7 | Low | 74 Ų | 74 | 90.8 Ų | 90.8 | 40% | 0.396 | 50% | 0.495 | S | S | . | . | trans | -84 | 114.2 | 177.2 | -173.2 | -11.1 | 0 | 0 | 0 | 110.8 | N312 P313 L317 N318 | N312-D315 HydrophobicContact CB-CB 3.96Å; N312-D315 PolarHBondContact O-N 2.8Å; P313-D315 VanDerWaalsContact C-N 3.34Å; D315-L317 PolarHBondContact O-N 2.67Å; D315-L317 VanDerWaalsContact O-N 3.12Å; D315-L317 PolarHBondContact OD1-N 3.17Å; D315-N318 HydrophobicContact CB-CB 4.5Å; D315-N318 WeakPolarHBondContact O-CB 3.33Å; D315-N318 PolarHBondContact O-N 2.83Å | ||
| 316 | P | 62 | Low | 64.8 | Low | 124 Ų | 124 | 90.6 Ų | 90.6 | 81% | 0.805 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -13.6 | -178.6 | 27.1 | -35.1 | 0 | 0 | 0 | 114 | D314 | D314-P316 WeakPolarHBondContact O-CD 3.4Š|
| 317 | L | 60.4 | Low | 63 | Low | 152 Ų | 152 | 97.4 Ų | 97.4 | 80% | 0.796 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | 7.5 | 179.6 | -64.3 | 173.5 | 0 | 0 | 0 | 113.6 | D315 I319 | D315-L317 PolarHBondContact O-N 2.67Å; D315-L317 VanDerWaalsContact O-N 3.12Å; D315-L317 PolarHBondContact OD1-N 3.17Å; L317-I319 PolarHBondContact O-N 2.95Å |
| 318 | N | 56.7 | Low | 61.7 | Low | 34 Ų | 34 | 94.5 Ų | 94.5 | 18% | 0.182 | 51% | 0.512 | C | S | . | . | trans | -84.7 | 107.6 | -177.2 | -173.7 | 1.9 | 0 | 0 | 0 | 112.8 | V311 N312 D315 D320 G321 | V311-N318 VanDerWaalsContact CB-ND2 3.28Å; V311-N318 WeakPolarHBondContact CB-ND2 3.42Å; V311-N318 VanDerWaalsContact CG2-ND2 3.34Å; V311-N318 WeakPolarHBondContact CG2-ND2 3.43Å; N312-N318 PolarHBondContact O-ND2 2.86Å; D315-N318 HydrophobicContact CB-CB 4.5Å; D315-N318 WeakPolarHBondContact O-CB 3.33Å; D315-N318 PolarHBondContact O-N 2.83Å; N318-D320 VanDerWaalsContact C-N 3.26Å; N318-D320 PolarHBondContact O-N 3.3Å; N318-D320 PolarHBondContact OD1-N 3.23Å; N318-G321 PolarHBondContact O-N 3.44Å | ||
| 319 | I | 55.2 | Low | 60.3 | Low | 138 Ų | 138 | 90.6 Ų | 90.6 | 71% | 0.708 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.3 | -28.9 | 179.9 | -62.3 | 168.3 | 0 | 0 | 0 | 112.5 | L317 G321 F322 L323 | L317-I319 PolarHBondContact O-N 2.95Å; I319-G321 VanDerWaalsContact C-N 3.27Å; I319-G321 PolarHBondContact O-N 2.97Å; I319-F322 VanDerWaalsContact O-CB 3.22Å; I319-F322 WeakPolarHBondContact O-CB 3.49Å; I319-F322 PolarHBondContact O-N 3.33Å; I319-F322 VanDerWaalsContact O-N 3.09Å; I319-L323 PolarHBondContact O-N 2.81Å |
| 320 | D | 50.9 | Low | 58.3 | Low | 45 Ų | 45 | 96.3 Ų | 96.3 | 24% | 0.241 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -68.5 | -28.1 | 176.3 | -81.1 | -16.5 | 0 | 0 | 0 | 111.8 | M307 N318 F322 | M307-D320 PolarHBondContact N-OD2 3.46Å; N318-D320 VanDerWaalsContact C-N 3.26Å; N318-D320 PolarHBondContact O-N 3.3Å; N318-D320 PolarHBondContact OD1-N 3.23Å; D320-F322 VanDerWaalsContact C-N 3.3Å |
| 321 | G | 49.1 | Very low | 55.8 | Low | 44 Ų | 44 | 102.5 Ų | 102.5 | 45% | 0.454 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -67.6 | -31.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | N318 I319 L323 G325 | N318-G321 PolarHBondContact O-N 3.44Å; I319-G321 VanDerWaalsContact C-N 3.27Å; I319-G321 PolarHBondContact O-N 2.97Å; G321-L323 PolarHBondContact O-N 3.41Å; G321-G325 PolarHBondContact O-N 2.86Å |
| 322 | F | 46.6 | Very low | 53.4 | Low | 147 Ų | 147 | 107.9 Ų | 107.9 | 65% | 0.645 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -64.8 | -40.3 | 177.7 | -137.2 | -99.4 | 0 | 0 | 0 | 111.4 | I319 D320 G325 F326 | I319-F322 VanDerWaalsContact O-CB 3.22Å; I319-F322 WeakPolarHBondContact O-CB 3.49Å; I319-F322 PolarHBondContact O-N 3.33Å; I319-F322 VanDerWaalsContact O-N 3.09Å; D320-F322 VanDerWaalsContact C-N 3.3Å; F322-G325 PolarHBondContact O-N 3.11Å; F322-F326 HydrophobicContact CD1-CD2 4.16Å; F322-F326 AromaticContact CD1-CE2 3.75Å; F322-F326 HydrophobicContact CD1-CE2 3.75Å; F322-F326 HydrophobicContact CE1-CD2 4.42Å; F322-F326 AromaticContact CE1-CE2 3.57Å; F322-F326 HydrophobicContact CE1-CE2 3.57Å; F322-F326 HydrophobicContact CE1-CZ 4.43Å; F322-F326 HydrophobicContact CZ-CE2 4.5Å; F322-F326 WeakPolarHBondContact O-CD2 3.34Å; F322-F326 PolarHBondContact O-N 3.32Å |
| 323 | L | 46.4 | Very low | 51.8 | Low | 111 Ų | 111 | 110.8 Ų | 110.8 | 58% | 0.581 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -71.4 | -33.9 | -179 | -75.2 | 168.6 | 0 | 0 | 0 | 113.7 | I319 G321 G325 F326 | I319-L323 PolarHBondContact O-N 2.81Å; G321-L323 PolarHBondContact O-N 3.41Å; L323-G325 VanDerWaalsContact C-N 3.35Å; L323-F326 PolarHBondContact O-N 3.47Å |
| 324 | K | 46.8 | Very low | 50.7 | Low | 165 Ų | 165 | 112.7 Ų | 112.7 | 72% | 0.717 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -72.8 | -28.4 | 173.3 | -80.6 | -175.1 | 176.3 | 177.8 | 0 | 112.8 | F326 Q327 | K324-F326 VanDerWaalsContact C-N 3.29Å; K324-F326 PolarHBondContact O-N 3.37Å; K324-Q327 PolarHBondContact O-N 2.89Å |
| 325 | G | 45.5 | Very low | 49.3 | Very low | 33 Ų | 33 | 111.1 Ų | 111.1 | 34% | 0.34 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -65.9 | -27.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114 | G321 F322 L323 S328 | G321-G325 PolarHBondContact O-N 2.86Å; F322-G325 PolarHBondContact O-N 3.11Å; L323-G325 VanDerWaalsContact C-N 3.35Å; G325-S328 PolarHBondContact O-OG 3.03Å |
| 326 | F | 41.2 | Very low | 48 | Very low | 115 Ų | 115 | 113.2 Ų | 113.2 | 50% | 0.504 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -82.4 | -22.6 | 178.8 | -90.1 | -87 | 0 | 0 | 0 | 114.3 | F322 L323 K324 S328 | F322-F326 HydrophobicContact CD1-CD2 4.16Å; F322-F326 AromaticContact CD1-CE2 3.75Å; F322-F326 HydrophobicContact CD1-CE2 3.75Å; F322-F326 HydrophobicContact CE1-CD2 4.42Å; F322-F326 AromaticContact CE1-CE2 3.57Å; F322-F326 HydrophobicContact CE1-CE2 3.57Å; F322-F326 HydrophobicContact CE1-CZ 4.43Å; F322-F326 HydrophobicContact CZ-CE2 4.5Å; F322-F326 WeakPolarHBondContact O-CD2 3.34Å; F322-F326 PolarHBondContact O-N 3.32Å; L323-F326 PolarHBondContact O-N 3.47Å; K324-F326 VanDerWaalsContact C-N 3.29Å; K324-F326 PolarHBondContact O-N 3.37Å; F326-S328 VanDerWaalsContact C-N 3.35Å |
| 327 | Q | 41.7 | Very low | 47.1 | Very low | 160 Ų | 160 | 112.6 Ų | 112.6 | 75% | 0.748 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -77 | -18.9 | 178 | -78.6 | -172.5 | -22.7 | 0 | 0 | 113.7 | K324 | K324-Q327 PolarHBondContact O-N 2.89Å |
| 328 | S | 46.3 | Very low | 46.2 | Very low | 96 Ų | 96 | 109.9 Ų | 109.9 | 67% | 0.671 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.8 | 0.3 | 176.4 | 48.3 | 0 | 0 | 0 | 0 | 114.6 | G325 F326 | G325-S328 PolarHBondContact O-OG 3.03Å; F326-S328 VanDerWaalsContact C-N 3.35Å |
| 329 | I | 49.7 | Very low | 45.5 | Very low | 117 Ų | 117 | 115.4 Ų | 115.4 | 60% | 0.6 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.7 | -14.2 | -179.8 | -62 | 176.3 | 0 | 0 | 0 | 113.1 | ||
| 330 | F | 43.8 | Very low | 44.8 | Very low | 166 Ų | 166 | 113.6 Ų | 113.6 | 73% | 0.728 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -124.6 | 22 | -177.7 | -71.1 | -76.5 | 0 | 0 | 0 | 115.7 | ||
| 331 | V | 36.5 | Very low | 44.2 | Very low | 134 Ų | 134 | 119.3 Ų | 119.3 | 81% | 0.812 | 69% | 0.69 | S | S | * | * | trans | -123.7 | 71 | 161.3 | -168.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 332 | G | 37.4 | Very low | 43.8 | Very low | 144 Ų | 144 | 126.2 Ų | 126.2 | 100% | 1.485 | 71% | 0.712 | S | S | * | * | trans | -113.1 | 0 | 152.3 | 0 | 0 | 0 | 0 | 0 | 108.2 |
Retrieved 332 of 332 residues in 566.8 ms
(Link to these results)