| 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 | 80.1 | Confident | 94.1 | Very high | 150 Ų | 150 | 90.8 Ų | 90.8 | 74% | 0.739 | 43% | 0.431 | S | S | * | . | 0 | 124.9 | 0 | -172.5 | 174 | 109.8 | 0 | 0 | 108.8 | E91 | M1-E91 WeakPolarHBondContact CG-OE1 3.36Š| |||
| 2 | V | 94.1 | Very high | 94.3 | Very high | 58 Ų | 58 | 83.3 Ų | 83.3 | 35% | 0.352 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 121 | 175 | -179.4 | 0 | 0 | 0 | 0 | 108.2 | V4 C87 H89 F90 E91 | V2-V4 HydrophobicContact CG1-CG2 4.37Å; V2-C87 HydrophobicContact CB-CB 4.41Å; V2-C87 HydrophobicContact CG2-CB 3.67Å; V2-H89 PolarHBondContact N-O 3.41Å; V2-F90 HydrophobicContact CG1-CD2 4.41Å; V2-F90 WeakPolarHBondContact O-CA 3.41Å; V2-E91 PolarHBondContact O-N 3.1Å |
| 3 | N | 94.1 | Very high | 94.4 | Very high | 56 Ų | 56 | 82.1 Ų | 82.1 | 30% | 0.299 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 127.6 | 177.8 | -179.9 | 13.9 | 0 | 0 | 0 | 109.5 | E91 G93 G94 Q95 | N3-E91 WeakPolarHBondContact CA-O 3.26Å; N3-G93 PolarHBondContact OD1-N 3.01Å; N3-G94 WeakPolarHBondContact ND2-CA 3.36Å; N3-G94 PolarHBondContact ND2-O 2.69Å; N3-G94 PolarHBondContact OD1-N 3.17Å; N3-Q95 PolarHBondContact ND2-O 2.87Å |
| 4 | V | 94.1 | Very high | 94.3 | Very high | 22 Ų | 22 | 77.3 Ų | 77.3 | 13% | 0.133 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 134.5 | 177.2 | 174.6 | 0 | 0 | 0 | 0 | 109.5 | V2 V24 L69 F90 E91 L92 G93 | V2-V4 HydrophobicContact CG1-CG2 4.37Å; V4-V24 HydrophobicContact CG1-CG1 4.26Å; V4-L69 HydrophobicContact CG1-CD1 3.91Å; V4-L69 HydrophobicContact CG1-CD2 4.47Å; V4-F90 HydrophobicContact CB-CE2 4.1Å; V4-F90 HydrophobicContact CB-CZ 4.33Å; V4-F90 HydrophobicContact CG2-CE2 3.7Å; V4-F90 HydrophobicContact CG2-CZ 4.38Å; V4-E91 PolarHBondContact N-O 2.87Å; V4-L92 HydrophobicContact CB-CD1 4.28Å; V4-L92 HydrophobicContact CG1-CD1 4.33Å; V4-L92 CarbonylContact O-C 3.51Å; V4-L92 WeakPolarHBondContact O-CA 3.46Å; V4-G93 PolarHBondContact O-N 3.48Å |
| 5 | P | 95.8 | Very high | 94.2 | Very high | 77 Ų | 77 | 85.3 Ų | 85.3 | 50% | 0.5 | 42% | 0.421 | S | S | . | . | trans | -64.4 | 147.7 | 179.2 | 28.1 | -36.4 | 0 | 0 | 0 | 111.8 | V7 | P5-V7 WeakPolarHBondContact CB-O 3.38Å; P5-V7 PolarHBondContact O-N 3.22Å | ||
| 6 | K | 96.3 | Very high | 94.3 | Very high | 126 Ų | 126 | 81.6 Ų | 81.6 | 55% | 0.548 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -67.9 | -13.8 | 175.5 | -68.2 | 178.1 | -177.2 | 174.8 | 0 | 113.1 | V24 L92 | K6-V24 PolarHBondContact O-N 2.97Å; K6-L92 WeakPolarHBondContact CE-O 3.3Å; K6-L92 HydrophobicContact CG-CD2 4.04Å; K6-L92 HydrophobicContact CG-CG 4.15Å |
| 7 | V | 95.9 | Very high | 94.3 | Very high | 77 Ų | 77 | 88.4 Ų | 88.4 | 47% | 0.467 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 135.6 | -178.5 | -175.5 | 0 | 0 | 0 | 0 | 109.3 | P5 V21 H22 | P5-V7 WeakPolarHBondContact CB-O 3.38Å; P5-V7 PolarHBondContact O-N 3.22Å; V7-V21 HydrophobicContact CG1-CG1 3.22Å; V7-H22 WeakPolarHBondContact CA-O 3.19Å |
| 8 | R | 95.4 | Very high | 94.4 | Very high | 117 Ų | 117 | 90.6 Ų | 90.6 | 44% | 0.442 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 132.1 | 177.2 | -177.2 | 175.4 | 178.3 | 171 | 0.3 | 110.6 | H22 V24 | R8-H22 PolarHBondContact N-O 3.13Å; R8-H22 WeakPolarHBondContact O-CB 3.13Å; R8-H22 PolarHBondContact O-N 2.88Å; R8-V24 HydrophobicContact CB-CG2 3.87Å |
| 9 | R | 96.3 | Very high | 94.5 | Very high | 183 Ų | 183 | 91.6 Ų | 91.6 | 69% | 0.691 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 125.9 | 169.5 | -163.6 | 173.3 | -174.4 | 171.1 | -0.9 | 109.4 | H19 T20 | R9-H19 PolarHBondContact NE-O 2.81Å; R9-T20 WeakPolarHBondContact CA-O 3.31Å |
| 10 | T | 96.5 | Very high | 94.7 | Very high | 23 Ų | 23 | 87.1 Ų | 87.1 | 14% | 0.141 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.4 | 162.6 | -176 | -177.6 | 0 | 0 | 0 | 0 | 109.9 | C12 H19 T20 H22 M71 K80 | T10-C12 PolarHBondContact O-N 3.48Å; T10-H19 VanDerWaalsContact C-CD2 3.41Å; T10-H19 WeakPolarHBondContact O-CA 3.42Å; T10-T20 PolarHBondContact N-O 3.11Å; T10-T20 VanDerWaalsContact N-O 3.08Å; T10-T20 PolarHBondContact O-N 3.49Å; T10-T20 VanDerWaalsContact O-N 3.08Å; T10-H22 HydrophobicContact CG2-CB 4.24Å; T10-H22 VanDerWaalsContact CG2-ND1 3.35Å; T10-H22 WeakPolarHBondContact CG2-ND1 3.42Å; T10-H22 PolarHBondContact O-CE1 3.17Å; T10-M71 HydrophobicContact CG2-SD 3.87Å; T10-K80 VanDerWaalsContact CG2-CE 3.41Å; T10-K80 PolarHBondContact OG1-NZ 2.97Å |
| 11 | Y | 97.1 | Very high | 94.8 | Very high | 110 Ų | 110 | 85.4 Ų | 85.4 | 43% | 0.431 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.6 | 129.6 | 179 | -175.9 | -104.1 | 0 | 0 | 0 | 112.2 | A13 R17 H19 K80 | Y11-A13 HydrophobicContact CD1-CB 4.41Å; Y11-A13 HydrophobicContact CE1-CB 3.95Å; Y11-R17 WeakPolarHBondContact CE2-O 3.36Å; Y11-H19 PolarHBondContact N-CD2 3.07Å; Y11-H19 PolarHBondContact N-NE2 2.93Å; Y11-K80 PolarHBondContact O-NZ 2.94Å |
| 12 | C | 96.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 78.2 Ų | 78.2 | 0% | 0 | 37% | 0.372 | C | S | . | . | trans | -102.5 | 112.8 | 172.5 | 173.3 | 0 | 0 | 0 | 0 | 110.1 | T10 G14 C16 R17 R18 T20 C73 C76 | T10-C12 PolarHBondContact O-N 3.48Å; C12-G14 VanDerWaalsContact C-N 3.26Å; C12-G14 PolarHBondContact O-N 3.24Å; C12-G14 PolarHBondContact SG-N 3.05Å; C12-C16 HydrophobicContact CB-CB 4.12Å; C12-R17 VanDerWaalsContact O-CA 3.31Å; C12-R17 WeakPolarHBondContact O-CA 3.45Å; C12-R17 PolarHBondContact O-N 3.42Å; C12-R18 PolarHBondContact N-O 2.75Å; C12-T20 HydrophobicContact CB-CG2 4.28Å; C12-T20 WeakPolarHBondContact CB-OG1 3.5Å; C12-C73 VanDerWaalsContact SG-SG 3.7Å; C12-C76 PolarHBondContact SG-SG 2.94Å | ||
| 13 | A | 95 | Very high | 95.8 | Very high | 68 Ų | 68 | 81.2 Ų | 81.2 | 56% | 0.562 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -2.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y11 | Y11-A13 HydrophobicContact CD1-CB 4.41Å; Y11-A13 HydrophobicContact CE1-CB 3.95Å |
| 14 | G | 92.6 | Very high | 95.9 | Very high | 15 Ų | 15 | 78.7 Ų | 78.7 | 16% | 0.155 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -153.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | C12 C16 R17 | C12-G14 VanDerWaalsContact C-N 3.26Å; C12-G14 PolarHBondContact O-N 3.24Å; C12-G14 PolarHBondContact SG-N 3.05Å; G14-C16 PolarHBondContact O-N 2.94Å; G14-R17 PolarHBondContact O-N 3.31Å |
| 15 | K | 93.6 | Very high | 96 | Very high | 197 Ų | 197 | 79.9 Ų | 79.9 | 86% | 0.857 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -28.5 | -179.2 | -62.7 | -174.1 | 179 | -174.6 | 0 | 113.9 | C76 | K15-C76 HydrophobicContact CB-CB 4.28Š|
| 16 | C | 95.2 | Very high | 96 | Very high | 26 Ų | 26 | 80.7 Ų | 80.7 | 18% | 0.176 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -35.3 | -176.1 | -54.9 | 0 | 0 | 0 | 0 | 114.6 | C12 G14 R18 T20 E75 C76 | C12-C16 HydrophobicContact CB-CB 4.12Å; G14-C16 PolarHBondContact O-N 2.94Å; C16-R18 HydrophobicContact CB-CG 4.21Å; C16-R18 WeakPolarHBondContact O-CG 3.2Å; C16-R18 PolarHBondContact O-N 3.01Å; C16-T20 HydrophobicContact CB-CG2 3.82Å; C16-E75 PolarHBondContact SG-OE2 3.46Å; C16-C76 PolarHBondContact SG-SG 3.19Å |
| 17 | R | 94.5 | Very high | 96.1 | Very high | 198 Ų | 198 | 79.4 Ų | 79.4 | 75% | 0.747 | 36% | 0.363 | S | S | * | . | trans | 44.5 | 30.7 | -174.8 | -58.1 | -175.9 | -178.7 | -177 | 1.2 | 115.4 | Y11 C12 G14 | Y11-R17 WeakPolarHBondContact CE2-O 3.36Å; C12-R17 VanDerWaalsContact O-CA 3.31Å; C12-R17 WeakPolarHBondContact O-CA 3.45Å; C12-R17 PolarHBondContact O-N 3.42Å; G14-R17 PolarHBondContact O-N 3.31Å | ||
| 18 | R | 96.4 | Very high | 96.1 | Very high | 128 Ų | 128 | 83.8 Ų | 83.8 | 48% | 0.483 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -146.1 | 173 | -178.5 | 70.2 | -174.2 | 173.1 | 77.1 | 1.1 | 111.5 | C12 C16 T20 E75 | C12-R18 PolarHBondContact N-O 2.75Å; C16-R18 HydrophobicContact CB-CG 4.21Å; C16-R18 WeakPolarHBondContact O-CG 3.2Å; C16-R18 PolarHBondContact O-N 3.01Å; R18-T20 HydrophobicContact CG-CG2 3.97Å; R18-T20 PolarHBondContact O-N 3.38Å; R18-E75 IonicContact CZ-OE1 3.35Å; R18-E75 IonicContact CZ-OE2 3.41Å; R18-E75 IonicContact NH1-OE1 3.24Å; R18-E75 PolarHBondContact NH1-OE1 3.23Å; R18-E75 IonicContact NH1-OE2 3.94Å; R18-E75 IonicContact NH2-OE1 2.75Å; R18-E75 PolarHBondContact NH2-OE1 3.2Å; R18-E75 IonicContact NH2-OE2 2.81Å; R18-E75 PolarHBondContact NH2-OE2 2.72Å |
| 19 | H | 97 | Very high | 96.1 | Very high | 109 Ų | 109 | 86.5 Ų | 86.5 | 51% | 0.505 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 106.5 | 176.7 | -78.4 | 84.6 | 0 | 0 | 0 | 111.6 | R9 T10 Y11 | R9-H19 PolarHBondContact NE-O 2.81Å; T10-H19 VanDerWaalsContact C-CD2 3.41Å; T10-H19 WeakPolarHBondContact O-CA 3.42Å; Y11-H19 PolarHBondContact N-CD2 3.07Å; Y11-H19 PolarHBondContact N-NE2 2.93Å |
| 20 | T | 96.8 | Very high | 96.1 | Very high | 2 Ų | 2 | 80.4 Ų | 80.4 | 1% | 0.012 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 165.9 | -179.8 | 64.1 | 0 | 0 | 0 | 0 | 111.5 | R9 T10 C12 C16 R18 H22 C73 E75 | R9-T20 WeakPolarHBondContact CA-O 3.31Å; T10-T20 PolarHBondContact N-O 3.11Å; T10-T20 VanDerWaalsContact N-O 3.08Å; T10-T20 PolarHBondContact O-N 3.49Å; T10-T20 VanDerWaalsContact O-N 3.08Å; C12-T20 HydrophobicContact CB-CG2 4.28Å; C12-T20 WeakPolarHBondContact CB-OG1 3.5Å; C16-T20 HydrophobicContact CB-CG2 3.82Å; R18-T20 HydrophobicContact CG-CG2 3.97Å; R18-T20 PolarHBondContact O-N 3.38Å; T20-H22 PolarHBondContact O-ND1 3.49Å; T20-H22 PolarHBondContact OG1-CE1 3.08Å; T20-C73 PolarHBondContact OG1-SG 3.47Å; T20-E75 VanDerWaalsContact CG2-OE2 3.3Å; T20-E75 WeakPolarHBondContact CG2-OE2 3.35Å |
| 21 | V | 97.5 | Very high | 96.1 | Very high | 51 Ų | 51 | 89.4 Ų | 89.4 | 31% | 0.309 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 126.9 | 174.9 | -176.9 | 0 | 0 | 0 | 0 | 109.5 | V7 Q74 | V7-V21 HydrophobicContact CG1-CG1 3.22Å; V21-Q74 VanDerWaalsContact CG1-OE1 3.29Å; V21-Q74 PolarHBondContact O-N 3.46Å |
| 22 | H | 97.3 | Very high | 96 | Very high | 0 Ų | 0 | 90 Ų | 90 | 0% | 0 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 134.3 | 177.2 | -66.4 | 64.1 | 0 | 0 | 0 | 111.1 | V7 R8 T10 T20 M71 E72 C73 | V7-H22 WeakPolarHBondContact CA-O 3.19Å; R8-H22 PolarHBondContact N-O 3.13Å; R8-H22 WeakPolarHBondContact O-CB 3.13Å; R8-H22 PolarHBondContact O-N 2.88Å; T10-H22 HydrophobicContact CG2-CB 4.24Å; T10-H22 VanDerWaalsContact CG2-ND1 3.35Å; T10-H22 WeakPolarHBondContact CG2-ND1 3.42Å; T10-H22 PolarHBondContact O-CE1 3.17Å; T20-H22 PolarHBondContact O-ND1 3.49Å; T20-H22 PolarHBondContact OG1-CE1 3.08Å; H22-M71 HydrophobicContact CB-CB 4.05Å; H22-E72 CarbonylContact C-O 3.48Å; H22-E72 WeakPolarHBondContact CA-O 3.39Å; H22-C73 PolarHBondContact CD2-N 2.9Å |
| 23 | K | 97.3 | Very high | 96 | Very high | 121 Ų | 121 | 93.3 Ų | 93.3 | 53% | 0.526 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 121.6 | 165.6 | -173.7 | 175.1 | -178.4 | 176.1 | 0 | 108.4 | M71 E72 | K23-M71 WeakPolarHBondContact O-CA 3.4Å; K23-E72 PolarHBondContact N-O 3.19Å; K23-E72 PolarHBondContact O-N 3.03Å |
| 24 | V | 97.3 | Very high | 96 | Very high | 3 Ų | 3 | 94.1 Ų | 94.1 | 2% | 0.018 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 133.1 | 179 | -170.5 | 0 | 0 | 0 | 0 | 108.2 | V4 K6 R8 L69 M71 L92 | V4-V24 HydrophobicContact CG1-CG1 4.26Å; K6-V24 PolarHBondContact O-N 2.97Å; R8-V24 HydrophobicContact CB-CG2 3.87Å; V24-L69 HydrophobicContact CG1-CB 4.05Å; V24-L69 HydrophobicContact CG1-CD1 4.16Å; V24-L69 HydrophobicContact CG1-CD2 4.02Å; V24-L69 HydrophobicContact CG1-CG 4.3Å; V24-M71 HydrophobicContact CG2-CG 4.28Å; V24-L92 HydrophobicContact CG1-CD1 3.96Å; V24-L92 WeakPolarHBondContact O-CD2 3.48Å |
| 25 | T | 96.6 | Very high | 96.1 | Very high | 46 Ų | 46 | 103.2 Ų | 103.2 | 28% | 0.282 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 158.2 | 174 | 56 | 0 | 0 | 0 | 0 | 109.7 | L69 R70 | T25-L69 CarbonylContact O-C 3.59Å; T25-L69 WeakPolarHBondContact O-CA 3.33Å; T25-R70 PolarHBondContact N-O 3.49Å; T25-R70 PolarHBondContact O-N 3Å; T25-R70 WeakPolarHBondContact OG1-CB 3.32Å; T25-R70 PolarHBondContact OG1-O 3.47Å |
| 26 | Q | 96.1 | Very high | 96.3 | Very high | 95 Ų | 95 | 96 Ų | 96 | 44% | 0.444 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 129.8 | 171.8 | -167.5 | -178.3 | 45.1 | 0 | 0 | 109.7 | V67 F90 | Q26-V67 HydrophobicContact CG-CG1 4.12Å; Q26-F90 HydrophobicContact CG-CE1 4.39Å |
| 27 | Y | 96.9 | Very high | 96.4 | Very high | 98 Ų | 98 | 100.7 Ų | 100.7 | 38% | 0.384 | 48% | 0.48 | S | S | . | . | trans | -64.5 | 135.4 | 171 | 169.3 | -104.1 | 0 | 0 | 0 | 110.7 | K29 V68 | Y27-K29 HydrophobicContact CE1-CB 4.5Å; Y27-V68 VanDerWaalsContact CB-O 3.23Å; Y27-V68 WeakPolarHBondContact CB-O 3.46Å; Y27-V68 HydrophobicContact CD1-CB 4.21Å; Y27-V68 HydrophobicContact CG-CB 4.27Å; Y27-V68 HydrophobicContact CG-CG1 4.42Å; Y27-V68 PolarHBondContact N-O 3.46Å | ||
| 28 | K | 96.1 | Very high | 96.5 | Very high | 169 Ų | 169 | 93.4 Ų | 93.4 | 74% | 0.735 | 47% | 0.466 | S | S | * | . | trans | -119.2 | 135.3 | 170.3 | -65.9 | -175.2 | 177.9 | -177.1 | 0 | 108.7 | G30 | K28-G30 PolarHBondContact O-N 3.47Š| ||
| 29 | K | 96 | Very high | 96.5 | Very high | 174 Ų | 174 | 91.4 Ų | 91.4 | 76% | 0.757 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -66.2 | 128.4 | 172.8 | -175.5 | -176.2 | 174.1 | -173.9 | 0 | 108.5 | Y27 | Y27-K29 HydrophobicContact CE1-CB 4.5Š|
| 30 | G | 95.9 | Very high | 96.5 | Very high | 55 Ų | 55 | 93.5 Ų | 93.5 | 57% | 0.567 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -71.9 | 168.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | K28 | K28-G30 PolarHBondContact O-N 3.47Š|
| 31 | K | 96.4 | Very high | 96.6 | Very high | 212 Ų | 212 | 99.6 Ų | 99.6 | 92% | 0.922 | 49% | 0.485 | S | S | * | . | P | Polyproline II helix | trans | -61.2 | 141.6 | 172.1 | -173 | 178.3 | 178.7 | 177.9 | 0 | 110 | ||
| 32 | E | 95.4 | Very high | 96.5 | Very high | 124 Ų | 124 | 100.2 Ų | 100.2 | 58% | 0.579 | 48% | 0.482 | S | S | * | . | P | Polyproline II helix | trans | -67.7 | 135.5 | 174.6 | -171.8 | 176.8 | 171.6 | 0 | 0 | 110.7 | ||
| 33 | S | 96.3 | Very high | 96.5 | Very high | 69 Ų | 69 | 102.8 Ų | 102.8 | 48% | 0.483 | 50% | 0.496 | S | S | . | . | P | Polyproline II helix | trans | -82.1 | 129.4 | 177.4 | 177 | 0 | 0 | 0 | 0 | 111 | R35 A36 | S33-R35 VanDerWaalsContact C-N 3.27Å; S33-R35 PolarHBondContact O-N 2.93Å; S33-R35 PolarHBondContact OG-N 3.39Å; S33-A36 PolarHBondContact O-N 3.41Å |
| 34 | S | 94.7 | Very high | 96.4 | Very high | 84 Ų | 84 | 105.9 Ų | 105.9 | 59% | 0.587 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -26.1 | 177.1 | 55.7 | 0 | 0 | 0 | 0 | 113.5 | ||
| 35 | R | 95.5 | Very high | 96.4 | Very high | 206 Ų | 206 | 111 Ų | 111 | 78% | 0.777 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -9.4 | -175.6 | -60.3 | -178.9 | -176.8 | 175.1 | 0.2 | 113.2 | S33 Q37 R40 | S33-R35 VanDerWaalsContact C-N 3.27Å; S33-R35 PolarHBondContact O-N 2.93Å; S33-R35 PolarHBondContact OG-N 3.39Å; R35-Q37 PolarHBondContact O-N 3.26Å; R35-R40 PolarHBondContact O-NE 2.9Å |
| 36 | A | 97.2 | Very high | 96.4 | Very high | 46 Ų | 46 | 111.6 Ų | 111.6 | 38% | 0.38 | 53% | 0.526 | S | S | . | . | S | Bend | trans | -56.9 | 137.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | S33 G38 R39 R40 | S33-A36 PolarHBondContact O-N 3.41Å; A36-G38 VanDerWaalsContact C-N 3.25Å; A36-G38 PolarHBondContact O-N 3.08Å; A36-R39 HydrophobicContact CB-CB 4.49Å; A36-R39 PolarHBondContact O-N 3.21Å; A36-R40 PolarHBondContact O-N 2.98Å |
| 37 | Q | 97.9 | Very high | 96.3 | Very high | 124 Ų | 124 | 115 Ų | 115 | 58% | 0.579 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -54.8 | -40.9 | -175.1 | -171.9 | -168.4 | 12.6 | 0 | 0 | 112.6 | R35 R39 R40 R41 | R35-Q37 PolarHBondContact O-N 3.26Å; Q37-R39 PolarHBondContact O-N 2.83Å; Q37-R40 PolarHBondContact O-N 3.23Å; Q37-R41 WeakPolarHBondContact O-CB 3.35Å; Q37-R41 PolarHBondContact O-N 2.85Å |
| 38 | G | 96.4 | Very high | 96.2 | Very high | 45 Ų | 45 | 113.7 Ų | 113.7 | 46% | 0.464 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.5 | -41.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | A36 R41 Y42 | A36-G38 VanDerWaalsContact C-N 3.25Å; A36-G38 PolarHBondContact O-N 3.08Å; G38-R41 PolarHBondContact O-N 2.76Å; G38-Y42 WeakPolarHBondContact O-CB 3.4Å; G38-Y42 PolarHBondContact O-N 2.84Å |
| 39 | R | 97 | Very high | 96.1 | Very high | 87 Ų | 87 | 117.1 Ų | 117.1 | 33% | 0.328 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -67.7 | -48.2 | 177.4 | -175.6 | 65.2 | -157.1 | -160.7 | 6.5 | 111.4 | A36 Q37 R41 Y42 D43 | A36-R39 HydrophobicContact CB-CB 4.49Å; A36-R39 PolarHBondContact O-N 3.21Å; Q37-R39 PolarHBondContact O-N 2.83Å; R39-R41 VanDerWaalsContact C-N 3.28Å; R39-R41 PolarHBondContact O-N 2.89Å; R39-Y42 PolarHBondContact O-N 2.82Å; R39-Y42 VanDerWaalsContact O-N 3.09Å; R39-D43 IonicContact CZ-OD1 3.15Å; R39-D43 IonicContact CZ-OD2 3.9Å; R39-D43 IonicContact NE-OD1 2.94Å; R39-D43 PolarHBondContact NE-OD1 2.59Å; R39-D43 IonicContact NE-OD2 3.02Å; R39-D43 PolarHBondContact NE-OD2 3.42Å; R39-D43 IonicContact NH2-OD1 2.72Å; R39-D43 PolarHBondContact NH2-OD1 2.8Å; R39-D43 IonicContact NH2-OD2 3.87Å; R39-D43 PolarHBondContact O-N 2.87Å |
| 40 | R | 97 | Very high | 96 | Very high | 152 Ų | 152 | 112.4 Ų | 112.4 | 57% | 0.574 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -54.7 | -42.6 | 174.2 | -70 | -171.1 | -73.4 | 129 | -5.3 | 112.6 | R35 A36 Q37 R44 | R35-R40 PolarHBondContact O-NE 2.9Å; A36-R40 PolarHBondContact O-N 2.98Å; Q37-R40 PolarHBondContact O-N 3.23Å; R40-R44 WeakPolarHBondContact O-CB 3.46Å; R40-R44 PolarHBondContact O-N 3.03Å |
| 41 | R | 97.4 | Very high | 95.9 | Very high | 130 Ų | 130 | 112.2 Ų | 112.2 | 49% | 0.491 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -66.7 | -43 | 177.1 | -171.5 | -170.6 | -60.1 | 145.9 | 0.7 | 111.8 | Q37 G38 R39 R44 K45 | Q37-R41 WeakPolarHBondContact O-CB 3.35Å; Q37-R41 PolarHBondContact O-N 2.85Å; G38-R41 PolarHBondContact O-N 2.76Å; R39-R41 VanDerWaalsContact C-N 3.28Å; R39-R41 PolarHBondContact O-N 2.89Å; R41-R44 PolarHBondContact O-N 2.83Å; R41-K45 WeakPolarHBondContact O-CB 3.09Å; R41-K45 PolarHBondContact O-N 3.33Å |
| 42 | Y | 96.7 | Very high | 95.9 | Very high | 65 Ų | 65 | 106.4 Ų | 106.4 | 26% | 0.255 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.6 | -49 | 177.2 | 177.2 | -113.3 | 0 | 0 | 0 | 111.1 | G38 R39 R44 K45 Q46 Q52 K54 | G38-Y42 WeakPolarHBondContact O-CB 3.4Å; G38-Y42 PolarHBondContact O-N 2.84Å; R39-Y42 PolarHBondContact O-N 2.82Å; R39-Y42 VanDerWaalsContact O-N 3.09Å; Y42-R44 VanDerWaalsContact C-N 3.32Å; Y42-R44 PolarHBondContact O-N 2.91Å; Y42-K45 CarbonylContact O-C 3.59Å; Y42-K45 PolarHBondContact O-N 3.35Å; Y42-Q46 HydrophobicContact CD1-CG 4.23Å; Y42-Q46 HydrophobicContact CD2-CG 3.83Å; Y42-Q46 HydrophobicContact CE1-CG 3.88Å; Y42-Q46 HydrophobicContact CE2-CG 3.41Å; Y42-Q46 VanDerWaalsContact CE2-CG 3.41Å; Y42-Q46 HydrophobicContact CG-CG 4.23Å; Y42-Q46 VanDerWaalsContact CZ-CG 3.46Å; Y42-Q46 WeakPolarHBondContact O-CB 3.39Å; Y42-Q46 VanDerWaalsContact O-CG 3.26Å; Y42-Q46 WeakPolarHBondContact O-CG 3.42Å; Y42-Q46 PolarHBondContact O-N 3.46Å; Y42-Q46 PolarHBondContact OH-OE1 2.96Å; Y42-Q52 PolarHBondContact OH-NE2 3.45Å; Y42-Q52 PolarHBondContact OH-OE1 2.97Å; Y42-K54 HydrophobicContact CD2-CB 4.23Å; Y42-K54 HydrophobicContact CD2-CG 3.62Å; Y42-K54 HydrophobicContact CE2-CB 3.8Å; Y42-K54 HydrophobicContact CE2-CG 3.69Å |
| 43 | D | 96 | Very high | 95.9 | Very high | 54 Ų | 54 | 102.5 Ų | 102.5 | 29% | 0.289 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.8 | -41.7 | 178.7 | -65.9 | -30.3 | 0 | 0 | 0 | 111.2 | R39 K45 Q46 K47 | R39-D43 IonicContact CZ-OD1 3.15Å; R39-D43 IonicContact CZ-OD2 3.9Å; R39-D43 IonicContact NE-OD1 2.94Å; R39-D43 PolarHBondContact NE-OD1 2.59Å; R39-D43 IonicContact NE-OD2 3.02Å; R39-D43 PolarHBondContact NE-OD2 3.42Å; R39-D43 IonicContact NH2-OD1 2.72Å; R39-D43 PolarHBondContact NH2-OD1 2.8Å; R39-D43 IonicContact NH2-OD2 3.87Å; R39-D43 PolarHBondContact O-N 2.87Å; D43-K45 PolarHBondContact O-N 2.8Å; D43-Q46 PolarHBondContact O-N 2.89Å; D43-K47 WeakPolarHBondContact O-CG 3.44Å; D43-K47 PolarHBondContact O-N 2.9Å |
| 44 | R | 95.8 | Very high | 95.9 | Very high | 186 Ų | 186 | 104.2 Ų | 104.2 | 70% | 0.702 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.7 | -41.1 | 173.3 | -173.1 | 176 | 67.4 | -163.5 | 5.4 | 112.6 | R40 R41 Y42 Q46 | R40-R44 WeakPolarHBondContact O-CB 3.46Å; R40-R44 PolarHBondContact O-N 3.03Å; R41-R44 PolarHBondContact O-N 2.83Å; Y42-R44 VanDerWaalsContact C-N 3.32Å; Y42-R44 PolarHBondContact O-N 2.91Å; R44-Q46 PolarHBondContact O-N 3.41Å |
| 45 | K | 96.6 | Very high | 96 | Very high | 111 Ų | 111 | 106.3 Ų | 106.3 | 48% | 0.483 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -73.9 | -15.6 | 178.1 | -158 | -169.3 | 175.6 | -167.3 | 0 | 112.9 | R41 Y42 D43 T53 | R41-K45 WeakPolarHBondContact O-CB 3.09Å; R41-K45 PolarHBondContact O-N 3.33Å; Y42-K45 CarbonylContact O-C 3.59Å; Y42-K45 PolarHBondContact O-N 3.35Å; D43-K45 PolarHBondContact O-N 2.8Å; K45-T53 WeakPolarHBondContact CD-OG1 3.23Å; K45-T53 WeakPolarHBondContact CG-OG1 3.46Å; K45-T53 PolarHBondContact NZ-O 2.88Å; K45-T53 WeakPolarHBondContact O-CG2 3.46Å; K45-T53 PolarHBondContact O-OG1 3.26Å |
| 46 | Q | 96.1 | Very high | 96 | Very high | 57 Ų | 57 | 101.7 Ų | 101.7 | 27% | 0.266 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -95 | -10.5 | 179.4 | -77.1 | -71.5 | -82.6 | 0 | 0 | 113.1 | Y42 D43 R44 G51 T53 | Y42-Q46 HydrophobicContact CD1-CG 4.23Å; Y42-Q46 HydrophobicContact CD2-CG 3.83Å; Y42-Q46 HydrophobicContact CE1-CG 3.88Å; Y42-Q46 HydrophobicContact CE2-CG 3.41Å; Y42-Q46 VanDerWaalsContact CE2-CG 3.41Å; Y42-Q46 HydrophobicContact CG-CG 4.23Å; Y42-Q46 VanDerWaalsContact CZ-CG 3.46Å; Y42-Q46 WeakPolarHBondContact O-CB 3.39Å; Y42-Q46 VanDerWaalsContact O-CG 3.26Å; Y42-Q46 WeakPolarHBondContact O-CG 3.42Å; Y42-Q46 PolarHBondContact O-N 3.46Å; Y42-Q46 PolarHBondContact OH-OE1 2.96Å; D43-Q46 PolarHBondContact O-N 2.89Å; R44-Q46 PolarHBondContact O-N 3.41Å; Q46-G51 PolarHBondContact NE2-O 3.43Å; Q46-G51 VanDerWaalsContact NE2-O 3.1Å; Q46-T53 PolarHBondContact NE2-OG1 2.87Å |
| 47 | K | 94.9 | Very high | 96 | Very high | 168 Ų | 168 | 105.7 Ų | 105.7 | 73% | 0.73 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -74.5 | 146.1 | 175.9 | -76.5 | 174.4 | 178.5 | -165.9 | 0 | 111.2 | D43 | D43-K47 WeakPolarHBondContact O-CG 3.44Å; D43-K47 PolarHBondContact O-N 2.9Å |
| 48 | G | 95.4 | Very high | 96 | Very high | 69 Ų | 69 | 110.1 Ų | 110.1 | 71% | 0.711 | 55% | 0.551 | S | S | * | * | S | Bend | trans | 87.4 | -154.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 49 | Y | 93.3 | Very high | 96 | Very high | 242 Ų | 242 | 117.5 Ų | 117.5 | 95% | 0.949 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -91.9 | 166.6 | -178.9 | -56.5 | -78.4 | 0 | 0 | 0 | 111.9 | ||
| 50 | G | 93.9 | Very high | 95.9 | Very high | 74 Ų | 74 | 121.7 Ų | 121.7 | 76% | 0.763 | 59% | 0.59 | S | S | * | * | S | Bend | trans | 105 | -2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 51 | G | 94.5 | Very high | 95.9 | Very high | 52 Ų | 52 | 118.9 Ų | 118.9 | 54% | 0.536 | 60% | 0.6 | S | S | . | * | trans | 68.1 | -141.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q46 T53 | Q46-G51 PolarHBondContact NE2-O 3.43Å; Q46-G51 VanDerWaalsContact NE2-O 3.1Å; G51-T53 PolarHBondContact O-N 3.46Å | ||
| 52 | Q | 96 | Very high | 95.9 | Very high | 89 Ų | 89 | 120.3 Ų | 120.3 | 42% | 0.416 | 61% | 0.61 | S | S | . | * | trans | -74.9 | 115.3 | -174.8 | 175.2 | 61.8 | -13.6 | 0 | 0 | 111.6 | Y42 K54 I56 | Y42-Q52 PolarHBondContact OH-NE2 3.45Å; Y42-Q52 PolarHBondContact OH-OE1 2.97Å; Q52-K54 VanDerWaalsContact CD-O 3.3Å; Q52-K54 WeakPolarHBondContact CG-O 3.43Å; Q52-K54 PolarHBondContact NE2-O 2.84Å; Q52-I56 HydrophobicContact CG-CD1 4.05Å; Q52-I56 HydrophobicContact CG-CG1 4.3Å; Q52-I56 VanDerWaalsContact NE2-CG1 3.27Å | ||
| 53 | T | 95.6 | Very high | 95.9 | Very high | 43 Ų | 43 | 123.5 Ų | 123.5 | 26% | 0.264 | 64% | 0.636 | S | S | . | * | trans | -102.5 | 1.1 | -171.8 | 67.4 | 0 | 0 | 0 | 0 | 114.8 | K45 Q46 G51 | K45-T53 WeakPolarHBondContact CD-OG1 3.23Å; K45-T53 WeakPolarHBondContact CG-OG1 3.46Å; K45-T53 PolarHBondContact NZ-O 2.88Å; K45-T53 WeakPolarHBondContact O-CG2 3.46Å; K45-T53 PolarHBondContact O-OG1 3.26Å; Q46-T53 PolarHBondContact NE2-OG1 2.87Å; G51-T53 PolarHBondContact O-N 3.46Å | ||
| 54 | K | 96.2 | Very high | 95.9 | Very high | 105 Ų | 105 | 122.5 Ų | 122.5 | 46% | 0.457 | 63% | 0.632 | S | S | . | * | S | Bend | trans | -130.8 | 144.5 | 176 | -70.2 | -64.5 | -174.1 | 177.3 | 0 | 111.3 | Y42 Q52 | Y42-K54 HydrophobicContact CD2-CB 4.23Å; Y42-K54 HydrophobicContact CD2-CG 3.62Å; Y42-K54 HydrophobicContact CE2-CB 3.8Å; Y42-K54 HydrophobicContact CE2-CG 3.69Å; Q52-K54 VanDerWaalsContact CD-O 3.3Å; Q52-K54 WeakPolarHBondContact CG-O 3.43Å; Q52-K54 PolarHBondContact NE2-O 2.84Å |
| 55 | P | 96.8 | Very high | 95.9 | Very high | 128 Ų | 128 | 122.1 Ų | 122.1 | 83% | 0.831 | 64% | 0.635 | S | S | * | * | trans | -65.7 | 140.9 | -178.2 | 26.7 | -34.2 | 0 | 0 | 0 | 111.7 | ||||
| 56 | I | 96.3 | Very high | 95.9 | Very high | 108 Ų | 108 | 123.1 Ų | 123.1 | 55% | 0.554 | 64% | 0.64 | S | S | * | * | trans | -106.7 | 122.9 | 174 | -57.8 | 174.8 | 0 | 0 | 0 | 108.3 | Q52 R58 | Q52-I56 HydrophobicContact CG-CD1 4.05Å; Q52-I56 HydrophobicContact CG-CG1 4.3Å; Q52-I56 VanDerWaalsContact NE2-CG1 3.27Å; I56-R58 PolarHBondContact O-N 3.02Å; I56-R58 VanDerWaalsContact O-N 3.14Å | ||
| 57 | L | 96.8 | Very high | 95.9 | Very high | 131 Ų | 131 | 121.3 Ų | 121.3 | 69% | 0.686 | 63% | 0.632 | S | S | * | * | trans | -70.2 | 108.1 | 176.4 | -179.4 | 67.6 | 0 | 0 | 0 | 110.7 | K60 | L57-K60 HydrophobicContact CD2-CG 4.45Š| ||
| 58 | R | 96.5 | Very high | 96 | Very high | 217 Ų | 217 | 114.7 Ų | 114.7 | 82% | 0.819 | 61% | 0.606 | S | S | * | * | trans | -92.5 | -43.3 | 178.3 | -66.2 | -179.1 | 177.8 | -104.5 | 2.3 | 113.5 | I56 K60 | I56-R58 PolarHBondContact O-N 3.02Å; I56-R58 VanDerWaalsContact O-N 3.14Å; R58-K60 PolarHBondContact O-N 3.5Å | ||
| 59 | K | 96.5 | Very high | 96.1 | Very high | 199 Ų | 199 | 111.6 Ų | 111.6 | 87% | 0.865 | 57% | 0.573 | S | S | * | * | trans | -89.2 | 99.9 | -174.9 | -64.5 | -176.6 | 178.5 | -178 | 0 | 111.2 | ||||
| 60 | K | 96.7 | Very high | 96.2 | Very high | 175 Ų | 175 | 104.7 Ų | 104.7 | 76% | 0.761 | 55% | 0.545 | S | S | * | . | trans | -102.4 | 113.8 | 177.4 | -64 | 176.5 | -173 | 165.6 | 0 | 110.5 | L57 R58 | L57-K60 HydrophobicContact CD2-CG 4.45Å; R58-K60 PolarHBondContact O-N 3.5Å | ||
| 61 | A | 96.6 | Very high | 96.3 | Very high | 93 Ų | 93 | 101.3 Ų | 101.3 | 77% | 0.769 | 51% | 0.51 | S | S | * | . | trans | -90.7 | -26.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | T63 | A61-T63 PolarHBondContact O-N 2.97Š| ||
| 62 | K | 96.5 | Very high | 96.5 | Very high | 160 Ų | 160 | 101.3 Ų | 101.3 | 70% | 0.696 | 50% | 0.496 | S | S | * | . | trans | -83.4 | 122.2 | -173.2 | -59 | -56.9 | -179 | -164.5 | 0 | 110.9 | ||||
| 63 | T | 96.5 | Very high | 96.6 | Very high | 132 Ų | 132 | 97 Ų | 97 | 81% | 0.81 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -85 | -13.2 | 177.1 | 55 | 0 | 0 | 0 | 0 | 113.9 | A61 | A61-T63 PolarHBondContact O-N 2.97Š|
| 64 | T | 96.6 | Very high | 96.6 | Very high | 33 Ų | 33 | 99.7 Ų | 99.7 | 20% | 0.202 | 49% | 0.486 | C | S | . | . | trans | -129.7 | 171 | -178.8 | 60.9 | 0 | 0 | 0 | 0 | 111.5 | R86 K88 | T64-R86 PolarHBondContact O-NH1 3.34Å; T64-K88 HydrophobicContact CG2-CG 3.8Å | ||
| 65 | K | 94.7 | Very high | 96.6 | Very high | 178 Ų | 178 | 99.2 Ų | 99.2 | 77% | 0.774 | 49% | 0.485 | S | S | * | . | trans | -122.2 | 156.9 | 171.9 | -65.7 | 173.8 | -175.4 | 165.5 | 0 | 109.4 | V67 | K65-V67 PolarHBondContact O-N 2.96Š| ||
| 66 | K | 96.8 | Very high | 96.5 | Very high | 132 Ų | 132 | 95 Ų | 95 | 57% | 0.574 | 46% | 0.458 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 120.6 | 166.2 | -71.8 | -174.9 | 178.4 | -178.2 | 0 | 107.2 | R86 | K66-R86 HydrophobicContact CG-CG 3.82Å |
| 67 | V | 96.4 | Very high | 96.5 | Very high | 19 Ų | 19 | 95.7 Ų | 95.7 | 12% | 0.115 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 134.7 | 173.7 | 178.6 | 0 | 0 | 0 | 0 | 107.6 | Q26 K65 L69 I84 F90 | Q26-V67 HydrophobicContact CG-CG1 4.12Å; K65-V67 PolarHBondContact O-N 2.96Å; V67-L69 HydrophobicContact CG1-CD2 4.42Å; V67-I84 HydrophobicContact CB-CD1 3.88Å; V67-I84 HydrophobicContact CB-CG1 3.72Å; V67-I84 HydrophobicContact CG1-CD1 4.34Å; V67-I84 HydrophobicContact CG1-CG1 4.4Å; V67-I84 VanDerWaalsContact O-CG1 3.3Å; V67-I84 WeakPolarHBondContact O-CG1 3.41Å; V67-I84 PolarHBondContact O-N 2.89Å; V67-F90 HydrophobicContact CG1-CD1 4.02Å; V67-F90 HydrophobicContact CG1-CD2 4.18Å; V67-F90 HydrophobicContact CG1-CE1 3.94Å; V67-F90 HydrophobicContact CG1-CE2 4.09Å; V67-F90 HydrophobicContact CG1-CG 4.14Å; V67-F90 HydrophobicContact CG1-CZ 3.98Å; V67-F90 HydrophobicContact CG2-CB 4.17Å; V67-F90 HydrophobicContact CG2-CD2 4.43Å; V67-F90 HydrophobicContact CG2-CG 4.11Å |
| 68 | V | 97.3 | Very high | 96.5 | Very high | 30 Ų | 30 | 93 Ų | 93 | 18% | 0.182 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 127.9 | 174.4 | 179.3 | 0 | 0 | 0 | 0 | 107.7 | Y27 Q81 P83 | Y27-V68 VanDerWaalsContact CB-O 3.23Å; Y27-V68 WeakPolarHBondContact CB-O 3.46Å; Y27-V68 HydrophobicContact CD1-CB 4.21Å; Y27-V68 HydrophobicContact CG-CB 4.27Å; Y27-V68 HydrophobicContact CG-CG1 4.42Å; Y27-V68 PolarHBondContact N-O 3.46Å; V68-Q81 HydrophobicContact CG1-CB 3.91Å; V68-Q81 HydrophobicContact CG1-CG 4.41Å; V68-P83 HydrophobicContact CG2-CB 4.21Å |
| 69 | L | 96.9 | Very high | 96.5 | Very high | 3 Ų | 3 | 87.7 Ų | 87.7 | 2% | 0.016 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 127.8 | 174.6 | -56.6 | 178.1 | 0 | 0 | 0 | 108.5 | V4 V24 T25 V67 Q81 L82 I84 F90 L92 | V4-L69 HydrophobicContact CG1-CD1 3.91Å; V4-L69 HydrophobicContact CG1-CD2 4.47Å; V24-L69 HydrophobicContact CG1-CB 4.05Å; V24-L69 HydrophobicContact CG1-CD1 4.16Å; V24-L69 HydrophobicContact CG1-CD2 4.02Å; V24-L69 HydrophobicContact CG1-CG 4.3Å; T25-L69 CarbonylContact O-C 3.59Å; T25-L69 WeakPolarHBondContact O-CA 3.33Å; V67-L69 HydrophobicContact CG1-CD2 4.42Å; L69-Q81 WeakPolarHBondContact O-CA 3.45Å; L69-L82 HydrophobicContact CD1-CD2 4.32Å; L69-L82 PolarHBondContact N-O 3.44Å; L69-L82 PolarHBondContact O-N 3.48Å; L69-I84 HydrophobicContact CD1-CG2 3.99Å; L69-I84 HydrophobicContact CG-CG2 4.28Å; L69-F90 HydrophobicContact CD2-CE2 4.1Å; L69-F90 HydrophobicContact CD2-CZ 3.6Å; L69-L92 HydrophobicContact CD2-CD1 4.35Å |
| 70 | R | 96.9 | Very high | 96.4 | Very high | 97 Ų | 97 | 80.6 Ų | 80.6 | 37% | 0.366 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 109.6 | 168.2 | 172.8 | 172.1 | 157.3 | 169.2 | -14.3 | 107.7 | T25 K79 | T25-R70 PolarHBondContact N-O 3.49Å; T25-R70 PolarHBondContact O-N 3Å; T25-R70 WeakPolarHBondContact OG1-CB 3.32Å; T25-R70 PolarHBondContact OG1-O 3.47Å; R70-K79 VanDerWaalsContact NH2-NZ 3.18Å |
| 71 | M | 96.3 | Very high | 96.4 | Very high | 3 Ų | 3 | 78.6 Ų | 78.6 | 2% | 0.015 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 120.5 | 178.1 | -68.3 | -172.2 | -86.8 | 0 | 0 | 109.3 | T10 H22 K23 V24 K79 K80 L82 | T10-M71 HydrophobicContact CG2-SD 3.87Å; H22-M71 HydrophobicContact CB-CB 4.05Å; K23-M71 WeakPolarHBondContact O-CA 3.4Å; V24-M71 HydrophobicContact CG2-CG 4.28Å; M71-K79 CarbonylContact O-C 3.53Å; M71-K79 WeakPolarHBondContact O-CA 3.44Å; M71-K80 HydrophobicContact CB-CG 3.77Å; M71-K80 HydrophobicContact CE-CD 3.99Å; M71-K80 VanDerWaalsContact CE-CE 3.4Å; M71-K80 HydrophobicContact CE-CG 4.03Å; M71-K80 PolarHBondContact N-O 3.06Å; M71-K80 PolarHBondContact O-N 3.28Å; M71-L82 HydrophobicContact CE-CB 3.5Å; M71-L82 HydrophobicContact CE-CD1 4.1Å; M71-L82 HydrophobicContact CE-CD2 4.26Å; M71-L82 HydrophobicContact CE-CG 4.17Å |
| 72 | E | 97.3 | Very high | 96.3 | Very high | 52 Ų | 52 | 77.1 Ų | 77.1 | 24% | 0.243 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 120.6 | 178.8 | -175.3 | 173.8 | 138.8 | 0 | 0 | 109.9 | H22 K23 Q74 K79 | H22-E72 CarbonylContact C-O 3.48Å; H22-E72 WeakPolarHBondContact CA-O 3.39Å; K23-E72 PolarHBondContact N-O 3.19Å; K23-E72 PolarHBondContact O-N 3.03Å; E72-Q74 PolarHBondContact O-N 3.38Å; E72-K79 HydrophobicContact CB-CG 4.18Å; E72-K79 HydrophobicContact CG-CG 4.02Å; E72-K79 WeakPolarHBondContact OE2-CE 3.4Å |
| 73 | C | 97.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 73.6 Ų | 73.6 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 128.3 | 175.8 | 179.5 | 0 | 0 | 0 | 0 | 109.9 | C12 T20 H22 E75 C76 K77 H78 | C12-C73 VanDerWaalsContact SG-SG 3.7Å; T20-C73 PolarHBondContact OG1-SG 3.47Å; H22-C73 PolarHBondContact CD2-N 2.9Å; C73-E75 VanDerWaalsContact C-N 3.29Å; C73-E75 PolarHBondContact O-N 3.03Å; C73-C76 VanDerWaalsContact SG-SG 3.66Å; C73-K77 WeakPolarHBondContact O-CA 3.3Å; C73-K77 PolarHBondContact O-N 3.47Å; C73-K77 VanDerWaalsContact O-N 3.07Å; C73-H78 PolarHBondContact N-O 3.41Å |
| 74 | Q | 96.2 | Very high | 96.3 | Very high | 99 Ų | 99 | 69.1 Ų | 69.1 | 46% | 0.463 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -31.9 | -179.5 | -74.2 | -176.6 | -25.9 | 0 | 0 | 112.9 | V21 E72 K77 | V21-Q74 VanDerWaalsContact CG1-OE1 3.29Å; V21-Q74 PolarHBondContact O-N 3.46Å; E72-Q74 PolarHBondContact O-N 3.38Å; Q74-K77 PolarHBondContact O-NZ 3.49Å |
| 75 | E | 95.7 | Very high | 96.3 | Very high | 95 Ų | 95 | 76.6 Ų | 76.6 | 44% | 0.444 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -67 | -177.9 | -60.3 | 175 | -174.3 | 0 | 0 | 112 | C16 R18 T20 C73 | C16-E75 PolarHBondContact SG-OE2 3.46Å; R18-E75 IonicContact CZ-OE1 3.35Å; R18-E75 IonicContact CZ-OE2 3.41Å; R18-E75 IonicContact NH1-OE1 3.24Å; R18-E75 PolarHBondContact NH1-OE1 3.23Å; R18-E75 IonicContact NH1-OE2 3.94Å; R18-E75 IonicContact NH2-OE1 2.75Å; R18-E75 PolarHBondContact NH2-OE1 3.2Å; R18-E75 IonicContact NH2-OE2 2.81Å; R18-E75 PolarHBondContact NH2-OE2 2.72Å; T20-E75 VanDerWaalsContact CG2-OE2 3.3Å; T20-E75 WeakPolarHBondContact CG2-OE2 3.35Å; C73-E75 VanDerWaalsContact C-N 3.29Å; C73-E75 PolarHBondContact O-N 3.03Å |
| 76 | C | 96.1 | Very high | 96.4 | Very high | 40 Ų | 40 | 73.7 Ų | 73.7 | 27% | 0.27 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 4.1 | -173.8 | 69.6 | 0 | 0 | 0 | 0 | 115.1 | C12 K15 C16 C73 H78 | C12-C76 PolarHBondContact SG-SG 2.94Å; K15-C76 HydrophobicContact CB-CB 4.28Å; C16-C76 PolarHBondContact SG-SG 3.19Å; C73-C76 VanDerWaalsContact SG-SG 3.66Å; C76-H78 PolarHBondContact O-N 3.09Å; C76-H78 VanDerWaalsContact SG-CB 3.54Å |
| 77 | K | 96.1 | Very high | 96.4 | Very high | 121 Ų | 121 | 68.5 Ų | 68.5 | 53% | 0.526 | 32% | 0.323 | S | S | . | . | trans | 57.1 | 11.4 | -178.4 | -50.8 | -55 | -175.9 | -162.4 | 0 | 115.6 | C73 Q74 K79 | C73-K77 WeakPolarHBondContact O-CA 3.3Å; C73-K77 PolarHBondContact O-N 3.47Å; C73-K77 VanDerWaalsContact O-N 3.07Å; Q74-K77 PolarHBondContact O-NZ 3.49Å; K77-K79 PolarHBondContact O-N 2.87Å | ||
| 78 | H | 96.5 | Very high | 96.3 | Very high | 76 Ų | 76 | 75.9 Ų | 75.9 | 35% | 0.352 | 35% | 0.353 | S | S | . | . | trans | -62.2 | 137 | 173.8 | -175.5 | 76.1 | 0 | 0 | 0 | 110.3 | C73 C76 | C73-H78 PolarHBondContact N-O 3.41Å; C76-H78 PolarHBondContact O-N 3.09Å; C76-H78 VanDerWaalsContact SG-CB 3.54Å | ||
| 79 | K | 95.9 | Very high | 96.2 | Very high | 105 Ų | 105 | 80.4 Ų | 80.4 | 46% | 0.457 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 127.5 | -174.8 | -70.3 | 158.5 | -174 | 169 | 0 | 109.6 | R70 M71 E72 K77 | R70-K79 VanDerWaalsContact NH2-NZ 3.18Å; M71-K79 CarbonylContact O-C 3.53Å; M71-K79 WeakPolarHBondContact O-CA 3.44Å; E72-K79 HydrophobicContact CB-CG 4.18Å; E72-K79 HydrophobicContact CG-CG 4.02Å; E72-K79 WeakPolarHBondContact OE2-CE 3.4Å; K77-K79 PolarHBondContact O-N 2.87Å |
| 80 | K | 95.2 | Very high | 96.1 | Very high | 49 Ų | 49 | 82.1 Ų | 82.1 | 21% | 0.213 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 151.4 | 172.5 | 65.9 | 177 | 177 | 174 | 0 | 111.4 | T10 Y11 M71 | T10-K80 VanDerWaalsContact CG2-CE 3.41Å; T10-K80 PolarHBondContact OG1-NZ 2.97Å; Y11-K80 PolarHBondContact O-NZ 2.94Å; M71-K80 HydrophobicContact CB-CG 3.77Å; M71-K80 HydrophobicContact CE-CD 3.99Å; M71-K80 VanDerWaalsContact CE-CE 3.4Å; M71-K80 HydrophobicContact CE-CG 4.03Å; M71-K80 PolarHBondContact N-O 3.06Å; M71-K80 PolarHBondContact O-N 3.28Å |
| 81 | Q | 96.1 | Very high | 96 | Very high | 133 Ų | 133 | 81.1 Ų | 81.1 | 62% | 0.621 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 134.6 | 178.4 | -63.8 | -174.6 | 13.6 | 0 | 0 | 110.2 | V68 L69 | V68-Q81 HydrophobicContact CG1-CB 3.91Å; V68-Q81 HydrophobicContact CG1-CG 4.41Å; L69-Q81 WeakPolarHBondContact O-CA 3.45Å |
| 82 | L | 95.6 | Very high | 95.8 | Very high | 63 Ų | 63 | 83.3 Ų | 83.3 | 33% | 0.33 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 109.6 | 176.2 | -170.8 | 104.2 | 0 | 0 | 0 | 110.2 | L69 M71 I84 | L69-L82 HydrophobicContact CD1-CD2 4.32Å; L69-L82 PolarHBondContact N-O 3.44Å; L69-L82 PolarHBondContact O-N 3.48Å; M71-L82 HydrophobicContact CE-CB 3.5Å; M71-L82 HydrophobicContact CE-CD1 4.1Å; M71-L82 HydrophobicContact CE-CD2 4.26Å; M71-L82 HydrophobicContact CE-CG 4.17Å; L82-I84 HydrophobicContact CD2-CG2 4.46Å |
| 83 | P | 96.8 | Very high | 95.5 | Very high | 85 Ų | 85 | 82.6 Ų | 82.6 | 55% | 0.552 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 138 | 173 | 29.5 | -32.2 | 0 | 0 | 0 | 110.9 | V68 | V68-P83 HydrophobicContact CG2-CB 4.21Å |
| 84 | I | 95.7 | Very high | 95.2 | Very high | 38 Ų | 38 | 83.8 Ų | 83.8 | 20% | 0.195 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 170.4 | 169.5 | 63.9 | 163 | 0 | 0 | 0 | 111.3 | V67 L69 L82 F90 | V67-I84 HydrophobicContact CB-CD1 3.88Å; V67-I84 HydrophobicContact CB-CG1 3.72Å; V67-I84 HydrophobicContact CG1-CD1 4.34Å; V67-I84 HydrophobicContact CG1-CG1 4.4Å; V67-I84 VanDerWaalsContact O-CG1 3.3Å; V67-I84 WeakPolarHBondContact O-CG1 3.41Å; V67-I84 PolarHBondContact O-N 2.89Å; L69-I84 HydrophobicContact CD1-CG2 3.99Å; L69-I84 HydrophobicContact CG-CG2 4.28Å; L82-I84 HydrophobicContact CD2-CG2 4.46Å; I84-F90 HydrophobicContact CD1-CD2 3.86Å; I84-F90 HydrophobicContact CD1-CE2 3.87Å |
| 85 | K | 96.6 | Very high | 94.8 | Very high | 190 Ų | 190 | 87.9 Ų | 87.9 | 83% | 0.826 | 43% | 0.429 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 157.8 | 172.7 | -65.1 | -174.7 | -179.5 | -179 | 0 | 110.8 | ||
| 86 | R | 97.1 | Very high | 94.5 | Very high | 118 Ų | 118 | 92.5 Ų | 92.5 | 45% | 0.445 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 135.5 | 179.1 | -69.4 | 176.2 | 177.7 | -83.3 | 0.8 | 109.9 | T64 K66 | T64-R86 PolarHBondContact O-NH1 3.34Å; K66-R86 HydrophobicContact CG-CG 3.82Å |
| 87 | C | 95.7 | Very high | 94.1 | Very high | 23 Ų | 23 | 100 Ų | 100 | 16% | 0.155 | 48% | 0.475 | C | S | . | . | trans | -141.2 | 152.1 | 175.8 | 47.5 | 0 | 0 | 0 | 0 | 109.5 | V2 | V2-C87 HydrophobicContact CB-CB 4.41Å; V2-C87 HydrophobicContact CG2-CB 3.67Å | ||
| 88 | K | 95.8 | Very high | 93.8 | Very high | 173 Ų | 173 | 98.4 Ų | 98.4 | 75% | 0.752 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -80.8 | -45.6 | 175.2 | -70.8 | -175.8 | 177.3 | -178.1 | 0 | 111.6 | T64 | T64-K88 HydrophobicContact CG2-CG 3.8Š|
| 89 | H | 94.6 | Very high | 93.5 | Very high | 126 Ų | 126 | 106.6 Ų | 106.6 | 58% | 0.583 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -117.3 | 121.1 | 179.6 | -57.3 | -81.6 | 0 | 0 | 0 | 109.7 | V2 | V2-H89 PolarHBondContact N-O 3.41Š|
| 90 | F | 94.9 | Very high | 92.9 | Very high | 38 Ų | 38 | 105.9 Ų | 105.9 | 17% | 0.167 | 53% | 0.526 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 130.5 | 180 | 172.8 | -96.2 | 0 | 0 | 0 | 109.7 | V2 V4 Q26 V67 L69 I84 L92 | V2-F90 HydrophobicContact CG1-CD2 4.41Å; V2-F90 WeakPolarHBondContact O-CA 3.41Å; V4-F90 HydrophobicContact CB-CE2 4.1Å; V4-F90 HydrophobicContact CB-CZ 4.33Å; V4-F90 HydrophobicContact CG2-CE2 3.7Å; V4-F90 HydrophobicContact CG2-CZ 4.38Å; Q26-F90 HydrophobicContact CG-CE1 4.39Å; V67-F90 HydrophobicContact CG1-CD1 4.02Å; V67-F90 HydrophobicContact CG1-CD2 4.18Å; V67-F90 HydrophobicContact CG1-CE1 3.94Å; V67-F90 HydrophobicContact CG1-CE2 4.09Å; V67-F90 HydrophobicContact CG1-CG 4.14Å; V67-F90 HydrophobicContact CG1-CZ 3.98Å; V67-F90 HydrophobicContact CG2-CB 4.17Å; V67-F90 HydrophobicContact CG2-CD2 4.43Å; V67-F90 HydrophobicContact CG2-CG 4.11Å; L69-F90 HydrophobicContact CD2-CE2 4.1Å; L69-F90 HydrophobicContact CD2-CZ 3.6Å; I84-F90 HydrophobicContact CD1-CD2 3.86Å; I84-F90 HydrophobicContact CD1-CE2 3.87Å; F90-L92 HydrophobicContact CE1-CB 4.33Å; F90-L92 HydrophobicContact CE1-CD1 4.16Å; F90-L92 HydrophobicContact CZ-CD1 3.74Å |
| 91 | E | 93.7 | Very high | 92.5 | Very high | 77 Ų | 77 | 110.1 Ų | 110.1 | 36% | 0.36 | 55% | 0.547 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 145.9 | -179.4 | -67.3 | 167.5 | -149.5 | 0 | 0 | 110 | M1 V2 N3 V4 | M1-E91 WeakPolarHBondContact CG-OE1 3.36Å; V2-E91 PolarHBondContact O-N 3.1Å; N3-E91 WeakPolarHBondContact CA-O 3.26Å; V4-E91 PolarHBondContact N-O 2.87Å |
| 92 | L | 92.7 | Very high | 91.8 | Very high | 49 Ų | 49 | 111.4 Ų | 111.4 | 26% | 0.257 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.9 | 105.8 | -179.1 | -160.6 | 91.1 | 0 | 0 | 0 | 110 | V4 K6 V24 L69 F90 | V4-L92 HydrophobicContact CB-CD1 4.28Å; V4-L92 HydrophobicContact CG1-CD1 4.33Å; V4-L92 CarbonylContact O-C 3.51Å; V4-L92 WeakPolarHBondContact O-CA 3.46Å; K6-L92 WeakPolarHBondContact CE-O 3.3Å; K6-L92 HydrophobicContact CG-CD2 4.04Å; K6-L92 HydrophobicContact CG-CG 4.15Å; V24-L92 HydrophobicContact CG1-CD1 3.96Å; V24-L92 WeakPolarHBondContact O-CD2 3.48Å; L69-L92 HydrophobicContact CD2-CD1 4.35Å; F90-L92 HydrophobicContact CE1-CB 4.33Å; F90-L92 HydrophobicContact CE1-CD1 4.16Å; F90-L92 HydrophobicContact CZ-CD1 3.74Å |
| 93 | G | 91.5 | Very high | 91.3 | Very high | 36 Ų | 36 | 114.5 Ų | 114.5 | 37% | 0.371 | 57% | 0.57 | S | S | . | * | S | Bend | trans | 77.4 | 34.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114 | N3 V4 | N3-G93 PolarHBondContact OD1-N 3.01Å; V4-G93 PolarHBondContact O-N 3.48Å |
| 94 | G | 89.6 | Confident | 90.7 | Very high | 26 Ų | 26 | 119.2 Ų | 119.2 | 27% | 0.268 | 59% | 0.585 | S | S | . | * | P | Polyproline II helix | trans | -64.8 | 165.9 | 168 | 0 | 0 | 0 | 0 | 0 | 111.4 | N3 | N3-G94 WeakPolarHBondContact ND2-CA 3.36Å; N3-G94 PolarHBondContact ND2-O 2.69Å; N3-G94 PolarHBondContact OD1-N 3.17Å |
| 95 | Q | 88.4 | Confident | 90.2 | Very high | 184 Ų | 184 | 129.1 Ų | 129.1 | 86% | 0.86 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 143 | 177.1 | -68.5 | -177.5 | -7.5 | 0 | 0 | 111 | N3 | N3-Q95 PolarHBondContact ND2-O 2.87Š|
| 96 | K | 89 | Confident | 89.8 | Confident | 192 Ų | 192 | 126.1 Ų | 126.1 | 84% | 0.835 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 141.9 | 171.7 | -68.4 | -177.5 | -178.1 | 175.8 | 0 | 108.1 | T98 | K96-T98 PolarHBondContact O-N 3.33Š|
| 97 | K | 88.5 | Confident | 89.4 | Confident | 197 Ų | 197 | 126.5 Ų | 126.5 | 86% | 0.857 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 128 | 172.5 | -63.7 | -173.1 | 175.6 | -169.1 | 0 | 109.2 | ||
| 98 | T | 90 | Very high | 89.1 | Confident | 88 Ų | 88 | 132.3 Ų | 132.3 | 54% | 0.54 | 65% | 0.652 | S | S | . | * | P | Polyproline II helix | trans | -76.6 | 144.2 | 172 | 43.8 | 0 | 0 | 0 | 0 | 109.7 | K96 Q101 | K96-T98 PolarHBondContact O-N 3.33Å; T98-Q101 PolarHBondContact OG1-OE1 3.49Å |
| 99 | R | 89.2 | Confident | 88.7 | Confident | 249 Ų | 249 | 129.9 Ų | 129.9 | 94% | 0.94 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -84 | 130.1 | 176.2 | -80.2 | -176.2 | 167.9 | 179.5 | -4.2 | 109.2 | Q101 | R99-Q101 VanDerWaalsContact C-N 3.29Å; R99-Q101 PolarHBondContact O-N 2.8Å |
| 100 | G | 84.9 | Confident | 88.3 | Confident | 90 Ų | 90 | 130.1 Ų | 130.1 | 93% | 0.928 | 65% | 0.651 | S | S | * | * | S | Bend | trans | 71.5 | 9.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 101 | Q | 85.9 | Confident | 87.9 | Confident | 137 Ų | 137 | 136.3 Ų | 136.3 | 64% | 0.64 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 133.5 | 173.7 | -87.6 | -174 | -32.1 | 0 | 0 | 110.9 | T98 R99 I103 | T98-Q101 PolarHBondContact OG1-OE1 3.49Å; R99-Q101 VanDerWaalsContact C-N 3.29Å; R99-Q101 PolarHBondContact O-N 2.8Å; Q101-I103 PolarHBondContact O-N 3.25Å |
| 102 | M | 82 | Confident | 87.5 | Confident | 160 Ų | 160 | 140.5 Ų | 140.5 | 79% | 0.788 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -61 | 131.6 | 169 | -168 | 174.4 | 92 | 0 | 0 | 109 | Q104 | M102-Q104 PolarHBondContact O-N 3.14Š|
| 103 | I | 84.6 | Confident | 87.1 | Confident | 129 Ų | 129 | 147.5 Ų | 147.5 | 66% | 0.662 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 129.1 | 172.5 | -60.4 | 172.6 | 0 | 0 | 0 | 106.6 | Q101 F105 | Q101-I103 PolarHBondContact O-N 3.25Å; I103-F105 WeakPolarHBondContact O-CD2 3.32Å; I103-F105 WeakPolarHBondContact O-CE2 3.42Å; I103-F105 PolarHBondContact O-N 3.38Å |
| 104 | Q | 84.1 | Confident | 86.7 | Confident | 184 Ų | 184 | 156.8 Ų | 156.8 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 129.4 | 171.3 | -82.7 | -177.4 | -49.1 | 0 | 0 | 108.9 | M102 | M102-Q104 PolarHBondContact O-N 3.14Š|
| 105 | F | 84.4 | Confident | 86.5 | Confident | 246 Ų | 246 | 168.7 Ų | 168.7 | 100% | 1.079 | 82% | 0.817 | S | S | * | * | trans | -96.3 | 0 | 174.3 | -62.1 | -77 | 0 | 0 | 0 | 110.3 | I103 | I103-F105 WeakPolarHBondContact O-CD2 3.32Å; I103-F105 WeakPolarHBondContact O-CE2 3.42Å; I103-F105 PolarHBondContact O-N 3.38Å |
Retrieved 105 of 105 residues in 51 ms
(Link to these results)