| 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 | 76.2 | Confident | 82.1 | Confident | 155 Ų | 155 | 92.5 Ų | 92.5 | 76% | 0.764 | 46% | 0.462 | S | S | * | . | 0 | 133.5 | 0 | -178.5 | 73 | -176.4 | 0 | 0 | 107.3 | Q21 K22 | M1-Q21 HydrophobicContact SD-CB 4.04Å; M1-Q21 HydrophobicContact SD-CG 4.41Å; M1-K22 VanDerWaalsContact CA-O 3.26Å; M1-K22 WeakPolarHBondContact CA-O 3.04Å; M1-K22 HydrophobicContact CE-CB 3.84Å; M1-K22 VanDerWaalsContact CE-N 3.35Å; M1-K22 HydrophobicContact SD-CB 4.19Å; M1-K22 PolarHBondContact SD-N 2.66Å | |||
| 2 | C | 81.9 | Confident | 82 | Confident | 2 Ų | 2 | 84.8 Ų | 84.8 | 1% | 0.014 | 42% | 0.423 | C | S | . | . | trans | -124.5 | 158.5 | 178 | 56.3 | 0 | 0 | 0 | 0 | 110 | E7 C13 K22 | C2-E7 HydrophobicContact CB-CB 4.35Å; C2-C13 HydrophobicContact CB-CB 3.92Å; C2-C13 WeakPolarHBondContact CB-SG 3.05Å; C2-C13 VanDerWaalsContact SG-CA 3.52Å; C2-C13 WeakPolarHBondContact SG-CB 3.41Å; C2-C13 CovalentContact SG-SG 2.03Å; C2-C13 PolarHBondContact SG-SG 3.35Å; C2-K22 PolarHBondContact N-O 2.8Å; C2-K22 VanDerWaalsContact N-O 3.16Å; C2-K22 WeakPolarHBondContact O-CB 3.17Å; C2-K22 WeakPolarHBondContact O-CD 3.17Å | ||
| 3 | R | 84 | Confident | 82.1 | Confident | 194 Ų | 194 | 79.5 Ų | 79.5 | 73% | 0.732 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -112 | -38.4 | 171.4 | -65.3 | 179 | 177.7 | -177.6 | -1.2 | 110.8 | E7 K22 | R3-E7 WeakPolarHBondContact CA-OE2 3.33Å; R3-E7 WeakPolarHBondContact CB-OE2 3.5Å; R3-E7 PolarHBondContact N-OE2 2.68Å; R3-K22 PolarHBondContact O-NZ 3.24Å |
| 4 | N | 82.1 | Confident | 82 | Confident | 108 Ų | 108 | 74.5 Ų | 74.5 | 58% | 0.578 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -125.4 | 156.3 | -176.9 | -70 | 80.3 | 0 | 0 | 0 | 111.9 | S6 E7 | N4-S6 VanDerWaalsContact C-N 3.33Å; N4-S6 PolarHBondContact O-N 2.91Å; N4-E7 PolarHBondContact N-OE2 3Å; N4-E7 PolarHBondContact O-N 3.37Å |
| 5 | N | 83.1 | Confident | 81.7 | Confident | 48 Ų | 48 | 73.3 Ų | 73.3 | 26% | 0.257 | 37% | 0.373 | S | S | . | . | G | 310 helix | trans | -58.4 | -42.9 | -179.9 | -73.8 | 22.3 | 0 | 0 | 0 | 112.6 | E7 C8 D11 | N5-E7 PolarHBondContact O-N 3.04Å; N5-C8 WeakPolarHBondContact O-CB 3.37Å; N5-C8 PolarHBondContact O-N 2.73Å; N5-D11 VanDerWaalsContact CB-O 3.29Å; N5-D11 WeakPolarHBondContact CB-O 2.99Å; N5-D11 PolarHBondContact ND2-O 2.93Å; N5-D11 VanDerWaalsContact ND2-O 3.09Å; N5-D11 WeakPolarHBondContact O-CA 3.37Å |
| 6 | S | 83.9 | Confident | 80.9 | Confident | 103 Ų | 103 | 70.8 Ų | 70.8 | 72% | 0.72 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -64.7 | -11.7 | -177.8 | -40.3 | 0 | 0 | 0 | 0 | 114.7 | N4 | N4-S6 VanDerWaalsContact C-N 3.33Å; N4-S6 PolarHBondContact O-N 2.91Å |
| 7 | E | 87.4 | Confident | 80 | Confident | 113 Ų | 113 | 71.1 Ų | 71.1 | 53% | 0.528 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -79.2 | -13.3 | 172.8 | -64 | -179.6 | 96.9 | 0 | 0 | 112.1 | C2 R3 N4 N5 | C2-E7 HydrophobicContact CB-CB 4.35Å; R3-E7 WeakPolarHBondContact CA-OE2 3.33Å; R3-E7 WeakPolarHBondContact CB-OE2 3.5Å; R3-E7 PolarHBondContact N-OE2 2.68Å; N4-E7 PolarHBondContact N-OE2 3Å; N4-E7 PolarHBondContact O-N 3.37Å; N5-E7 PolarHBondContact O-N 3.04Å |
| 8 | C | 82.6 | Confident | 79.2 | Confident | 8 Ų | 8 | 73.9 Ų | 73.9 | 5% | 0.054 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -102.6 | 134 | 179.4 | -57.1 | 0 | 0 | 0 | 0 | 109.8 | N5 S10 D11 C24 | N5-C8 WeakPolarHBondContact O-CB 3.37Å; N5-C8 PolarHBondContact O-N 2.73Å; C8-S10 PolarHBondContact O-N 3Å; C8-S10 VanDerWaalsContact O-N 3.08Å; C8-D11 PolarHBondContact O-N 2.95Å; C8-C24 VanDerWaalsContact CA-SG 3.51Å; C8-C24 HydrophobicContact CB-CB 3.64Å; C8-C24 WeakPolarHBondContact CB-SG 3.37Å; C8-C24 WeakPolarHBondContact SG-CA 3.47Å; C8-C24 WeakPolarHBondContact SG-CB 3.29Å; C8-C24 CovalentContact SG-SG 2.03Å; C8-C24 PolarHBondContact SG-SG 2.97Å |
| 9 | Q | 83.1 | Confident | 78.4 | Confident | 215 Ų | 215 | 74.9 Ų | 74.9 | 100% | 1.005 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -26 | 171.9 | -69 | -175.3 | 3.1 | 0 | 0 | 112.7 | ||
| 10 | S | 76 | Confident | 78.1 | Confident | 29 Ų | 29 | 77 Ų | 77 | 20% | 0.203 | 41% | 0.41 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 4.2 | 175.8 | 56.5 | 0 | 0 | 0 | 0 | 114.1 | C8 C12 T25 Q27 | C8-S10 PolarHBondContact O-N 3Å; C8-S10 VanDerWaalsContact O-N 3.08Å; S10-C12 WeakPolarHBondContact O-CB 3.12Å; S10-C12 PolarHBondContact O-N 3.38Å; S10-T25 WeakPolarHBondContact CB-O 3.46Å; S10-T25 PolarHBondContact OG-O 2.85Å; S10-Q27 WeakPolarHBondContact O-CG 3.16Å; S10-Q27 PolarHBondContact O-NE2 2.77Å |
| 11 | D | 82.9 | Confident | 78.1 | Confident | 42 Ų | 42 | 79.3 Ų | 79.3 | 23% | 0.225 | 42% | 0.418 | C | S | . | . | S | Bend | trans | 48.8 | 30.3 | -174.4 | -148.6 | -101.1 | 0 | 0 | 0 | 114.5 | N5 C8 | N5-D11 VanDerWaalsContact CB-O 3.29Å; N5-D11 WeakPolarHBondContact CB-O 2.99Å; N5-D11 PolarHBondContact ND2-O 2.93Å; N5-D11 VanDerWaalsContact ND2-O 3.09Å; N5-D11 WeakPolarHBondContact O-CA 3.37Å; C8-D11 PolarHBondContact O-N 2.95Å |
| 12 | C | 80.6 | Confident | 78.3 | Confident | 0 Ų | 0 | 75.8 Ų | 75.8 | 0% | 0 | 40% | 0.398 | C | S | . | . | trans | -140.4 | 100.8 | -172.2 | -174.3 | 0 | 0 | 0 | 0 | 110.6 | S10 C24 T25 Q27 C88 | S10-C12 WeakPolarHBondContact O-CB 3.12Å; S10-C12 PolarHBondContact O-N 3.38Å; C12-C24 WeakPolarHBondContact O-CA 3.43Å; C12-T25 HydrophobicContact CB-CG2 4.42Å; C12-T25 PolarHBondContact O-N 3.31Å; C12-T25 VanDerWaalsContact SG-CG2 3.54Å; C12-Q27 HydrophobicContact CB-CG 3.75Å; C12-C88 VanDerWaalsContact CA-SG 3.6Å; C12-C88 HydrophobicContact CB-CB 3.81Å; C12-C88 WeakPolarHBondContact CB-SG 3.27Å; C12-C88 WeakPolarHBondContact SG-CB 3.18Å; C12-C88 CovalentContact SG-SG 2.04Å; C12-C88 PolarHBondContact SG-SG 2.79Å | ||
| 13 | C | 83.9 | Confident | 78.3 | Confident | 17 Ų | 17 | 78.6 Ų | 78.6 | 12% | 0.115 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 113.8 | 178.2 | -177.3 | 0 | 0 | 0 | 0 | 109.9 | C2 | C2-C13 HydrophobicContact CB-CB 3.92Å; C2-C13 WeakPolarHBondContact CB-SG 3.05Å; C2-C13 VanDerWaalsContact SG-CA 3.52Å; C2-C13 WeakPolarHBondContact SG-CB 3.41Å; C2-C13 CovalentContact SG-SG 2.03Å; C2-C13 PolarHBondContact SG-SG 3.35Å |
| 14 | V | 81 | Confident | 78.2 | Confident | 9 Ų | 9 | 72.2 Ų | 72.2 | 6% | 0.055 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 154.3 | -174 | -62 | 0 | 0 | 0 | 0 | 112.2 | K22 F23 T25 A72 | V14-K22 CarbonylContact O-C 3.48Å; V14-K22 VanDerWaalsContact O-CA 3.25Å; V14-K22 WeakPolarHBondContact O-CA 3.36Å; V14-F23 HydrophobicContact CG2-CD2 4.46Å; V14-F23 HydrophobicContact CG2-CE1 4.13Å; V14-F23 HydrophobicContact CG2-CE2 3.96Å; V14-F23 HydrophobicContact CG2-CZ 3.77Å; V14-F23 PolarHBondContact N-O 3.18Å; V14-F23 PolarHBondContact O-N 3.2Å; V14-T25 HydrophobicContact CG1-CG2 4.15Å; V14-T25 HydrophobicContact CG2-CG2 3.67Å; V14-A72 HydrophobicContact CG1-CB 4Å |
| 15 | T | 77.4 | Confident | 78 | Confident | 56 Ų | 56 | 67.2 Ų | 67.2 | 34% | 0.344 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 135.8 | 177.1 | -48.6 | 0 | 0 | 0 | 0 | 110.2 | K22 | T15-K22 VanDerWaalsContact OG1-CG 3.32Å; T15-K22 WeakPolarHBondContact OG1-CG 3.02Å |
| 16 | N | 68.9 | Low | 77.6 | Confident | 34 Ų | 34 | 67.8 Ų | 67.8 | 18% | 0.182 | 38% | 0.376 | C | S | . | . | trans | -76.4 | 133.1 | 171.3 | -168.7 | -53.2 | 0 | 0 | 0 | 109.9 | L18 N19 Q21 F23 T81 | N16-L18 PolarHBondContact O-N 3.2Å; N16-L18 WeakPolarHBondContact OD1-CA 3.21Å; N16-L18 VanDerWaalsContact OD1-CB 3.27Å; N16-L18 WeakPolarHBondContact OD1-CB 3.36Å; N16-L18 PolarHBondContact OD1-N 2.97Å; N16-N19 CarbonylContact C-O 3.55Å; N16-N19 HydrophobicContact CB-CB 4.28Å; N16-N19 WeakPolarHBondContact CB-O 3.33Å; N16-N19 CarbonylContact O-C 3.2Å; N16-N19 PolarHBondContact O-N 3.33Å; N16-N19 PolarHBondContact OD1-N 3.07Å; N16-Q21 PolarHBondContact N-O 2.83Å; N16-F23 HydrophobicContact CB-CE1 3.9Å; N16-T81 WeakPolarHBondContact OD1-CG2 3.1Å | ||
| 17 | S | 65.2 | Low | 77 | Confident | 76 Ų | 76 | 66 Ų | 66 | 53% | 0.531 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -67.9 | -25.8 | 178.1 | -169.2 | 0 | 0 | 0 | 0 | 113.2 | T82 | S17-T82 WeakPolarHBondContact CB-O 3.27Š|
| 18 | L | 65.8 | Low | 76.1 | Confident | 122 Ų | 122 | 62.5 Ų | 62.5 | 64% | 0.639 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -84.3 | -20.9 | 177.5 | -58.7 | 170.5 | 0 | 0 | 0 | 112 | N16 T81 | N16-L18 PolarHBondContact O-N 3.2Å; N16-L18 WeakPolarHBondContact OD1-CA 3.21Å; N16-L18 VanDerWaalsContact OD1-CB 3.27Å; N16-L18 WeakPolarHBondContact OD1-CB 3.36Å; N16-L18 PolarHBondContact OD1-N 2.97Å; L18-T81 HydrophobicContact CD1-CG2 4.08Å; L18-T81 VanDerWaalsContact CD1-OG1 3.27Å; L18-T81 WeakPolarHBondContact CD1-OG1 3.44Å; L18-T81 HydrophobicContact CG-CG2 4.2Å |
| 19 | N | 64.5 | Low | 75.2 | Confident | 92 Ų | 92 | 66.4 Ų | 66.4 | 49% | 0.492 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -142.6 | 119.3 | -179.1 | -84.5 | -80.4 | 0 | 0 | 0 | 110.1 | N16 Q21 | N16-N19 CarbonylContact C-O 3.55Å; N16-N19 HydrophobicContact CB-CB 4.28Å; N16-N19 WeakPolarHBondContact CB-O 3.33Å; N16-N19 CarbonylContact O-C 3.2Å; N16-N19 PolarHBondContact O-N 3.33Å; N16-N19 PolarHBondContact OD1-N 3.07Å; N19-Q21 PolarHBondContact O-N 2.78Å |
| 20 | P | 71.1 | Confident | 74.3 | Confident | 117 Ų | 117 | 61.9 Ų | 61.9 | 76% | 0.76 | 34% | 0.344 | S | S | * | . | trans | -66.4 | 9.6 | -176.5 | 28.7 | -36.1 | 0 | 0 | 0 | 114.6 | ||||
| 21 | Q | 77.6 | Confident | 73.5 | Confident | 126 Ų | 126 | 66.2 Ų | 66.2 | 59% | 0.589 | 36% | 0.364 | S | S | * | . | trans | -75 | 136 | 172.9 | -69.4 | -169.9 | 49 | 0 | 0 | 111 | M1 N16 N19 | M1-Q21 HydrophobicContact SD-CB 4.04Å; M1-Q21 HydrophobicContact SD-CG 4.41Å; N16-Q21 PolarHBondContact N-O 2.83Å; N19-Q21 PolarHBondContact O-N 2.78Å | ||
| 22 | K | 80.4 | Confident | 72.4 | Confident | 80 Ų | 80 | 69.6 Ų | 69.6 | 35% | 0.348 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 131.8 | 175.5 | -76.8 | -179.4 | 174.8 | -173.1 | 0 | 110.8 | M1 C2 R3 V14 T15 | M1-K22 VanDerWaalsContact CA-O 3.26Å; M1-K22 WeakPolarHBondContact CA-O 3.04Å; M1-K22 HydrophobicContact CE-CB 3.84Å; M1-K22 VanDerWaalsContact CE-N 3.35Å; M1-K22 HydrophobicContact SD-CB 4.19Å; M1-K22 PolarHBondContact SD-N 2.66Å; C2-K22 PolarHBondContact N-O 2.8Å; C2-K22 VanDerWaalsContact N-O 3.16Å; C2-K22 WeakPolarHBondContact O-CB 3.17Å; C2-K22 WeakPolarHBondContact O-CD 3.17Å; R3-K22 PolarHBondContact O-NZ 3.24Å; V14-K22 CarbonylContact O-C 3.48Å; V14-K22 VanDerWaalsContact O-CA 3.25Å; V14-K22 WeakPolarHBondContact O-CA 3.36Å; T15-K22 VanDerWaalsContact OG1-CG 3.32Å; T15-K22 WeakPolarHBondContact OG1-CG 3.02Å |
| 23 | F | 83.8 | Confident | 71.6 | Confident | 62 Ų | 62 | 72.4 Ų | 72.4 | 27% | 0.272 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 153.1 | -179.1 | 62.2 | -81.1 | 0 | 0 | 0 | 111.3 | V14 N16 L83 | V14-F23 HydrophobicContact CG2-CD2 4.46Å; V14-F23 HydrophobicContact CG2-CE1 4.13Å; V14-F23 HydrophobicContact CG2-CE2 3.96Å; V14-F23 HydrophobicContact CG2-CZ 3.77Å; V14-F23 PolarHBondContact N-O 3.18Å; V14-F23 PolarHBondContact O-N 3.2Å; N16-F23 HydrophobicContact CB-CE1 3.9Å; F23-L83 HydrophobicContact CE1-CD2 4.32Å; F23-L83 HydrophobicContact CZ-CD2 3.77Å |
| 24 | C | 81.6 | Confident | 70.7 | Confident | 59 Ų | 59 | 75.4 Ų | 75.4 | 40% | 0.399 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 133.1 | 174.7 | -63.6 | 0 | 0 | 0 | 0 | 109.3 | C8 C12 | C8-C24 VanDerWaalsContact CA-SG 3.51Å; C8-C24 HydrophobicContact CB-CB 3.64Å; C8-C24 WeakPolarHBondContact CB-SG 3.37Å; C8-C24 WeakPolarHBondContact SG-CA 3.47Å; C8-C24 WeakPolarHBondContact SG-CB 3.29Å; C8-C24 CovalentContact SG-SG 2.03Å; C8-C24 PolarHBondContact SG-SG 2.97Å; C12-C24 WeakPolarHBondContact O-CA 3.43Å |
| 25 | T | 76.9 | Confident | 69.6 | Low | 4 Ų | 4 | 79.5 Ų | 79.5 | 3% | 0.025 | 44% | 0.442 | C | S | . | . | trans | -129.7 | 154.1 | 174.1 | -166.8 | 0 | 0 | 0 | 0 | 111.3 | S10 C12 V14 A72 S73 | S10-T25 WeakPolarHBondContact CB-O 3.46Å; S10-T25 PolarHBondContact OG-O 2.85Å; C12-T25 HydrophobicContact CB-CG2 4.42Å; C12-T25 PolarHBondContact O-N 3.31Å; C12-T25 VanDerWaalsContact SG-CG2 3.54Å; V14-T25 HydrophobicContact CG1-CG2 4.15Å; V14-T25 HydrophobicContact CG2-CG2 3.67Å; T25-A72 HydrophobicContact CG2-CB 3.48Å; T25-A72 VanDerWaalsContact CG2-CB 3.48Å; T25-S73 PolarHBondContact OG1-O 3.06Å | ||
| 26 | S | 75 | Confident | 68.6 | Low | 60 Ų | 60 | 84.4 Ų | 84.4 | 42% | 0.42 | 45% | 0.454 | S | S | . | . | trans | -69.7 | 140.9 | 175.8 | -60.1 | 0 | 0 | 0 | 0 | 110.2 | S73 | S26-S73 WeakPolarHBondContact O-CB 3.36Å; S26-S73 PolarHBondContact O-N 3.41Å | ||
| 27 | Q | 70.8 | Confident | 68.2 | Low | 64 Ų | 64 | 93.3 Ų | 93.3 | 30% | 0.299 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 134.5 | 170 | -65.3 | -173.6 | 69.8 | 0 | 0 | 109.7 | S10 C12 G71 C88 | S10-Q27 WeakPolarHBondContact O-CG 3.16Å; S10-Q27 PolarHBondContact O-NE2 2.77Å; C12-Q27 HydrophobicContact CB-CG 3.75Å; Q27-G71 WeakPolarHBondContact CA-O 3.03Å; Q27-C88 HydrophobicContact CG-CB 4.4Å |
| 28 | T | 68 | Low | 67.8 | Low | 41 Ų | 41 | 98.7 Ų | 98.7 | 25% | 0.252 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 138.7 | 171.3 | 45.3 | 0 | 0 | 0 | 0 | 109.7 | F30 G71 | T28-F30 WeakPolarHBondContact OG1-CE2 3.26Å; T28-G71 PolarHBondContact N-O 3.01Å; T28-G71 PolarHBondContact O-N 2.07Å; T28-G71 PolarHBondContact OG1-O 3.47Å |
| 29 | V | 64.8 | Low | 67.2 | Low | 89 Ų | 89 | 102 Ų | 102 | 54% | 0.539 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 113.4 | 175.4 | -175.5 | 0 | 0 | 0 | 0 | 108.3 | L31 V68 L70 | V29-L31 HydrophobicContact CG1-CD1 3.97Å; V29-V68 HydrophobicContact CG1-CG1 3.46Å; V29-V68 VanDerWaalsContact CG1-CG1 3.46Å; V29-L70 HydrophobicContact CG2-CD2 4.05Å |
| 30 | F | 63.9 | Low | 66.9 | Low | 121 Ų | 121 | 103.3 Ų | 103.3 | 53% | 0.531 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 122 | 170.1 | -73.3 | -84.8 | 0 | 0 | 0 | 109 | T28 Y69 | T28-F30 WeakPolarHBondContact OG1-CE2 3.26Å; F30-Y69 PolarHBondContact N-O 3.34Å; F30-Y69 PolarHBondContact O-N 3.03Å |
| 31 | L | 59.7 | Low | 66 | Low | 119 Ų | 119 | 106.1 Ų | 106.1 | 62% | 0.623 | 52% | 0.523 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 114.4 | 170.7 | -77.1 | 90.9 | 0 | 0 | 0 | 108.8 | V29 | V29-L31 HydrophobicContact CG1-CD1 3.97Å |
| 32 | E | 58.7 | Low | 64.6 | Low | 113 Ų | 113 | 107.1 Ų | 107.1 | 53% | 0.528 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 105.8 | 167.1 | -169.3 | 177.6 | 79.9 | 0 | 0 | 108.5 | S67 Y69 | E32-S67 PolarHBondContact N-O 2.69Å; E32-S67 VanDerWaalsContact N-O 3.12Å; E32-S67 PolarHBondContact O-N 2.62Å; E32-Y69 HydrophobicContact CB-CD2 4.21Å; E32-Y69 HydrophobicContact CB-CE2 3.99Å |
| 33 | C | 64.5 | Low | 63.3 | Low | 60 Ų | 60 | 107.3 Ų | 107.3 | 41% | 0.405 | 55% | 0.548 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 108.3 | 174.7 | -64.6 | 0 | 0 | 0 | 0 | 109.1 | P35 C66 | C33-P35 WeakPolarHBondContact O-CD 3.32Å; C33-C66 HydrophobicContact CB-CB 4.24Å; C33-C66 WeakPolarHBondContact CB-SG 3.46Å; C33-C66 WeakPolarHBondContact SG-CB 3.25Å; C33-C66 CovalentContact SG-SG 2.07Å; C33-C66 PolarHBondContact SG-SG 3.2Å |
| 34 | V | 65.2 | Low | 61.7 | Low | 80 Ų | 80 | 110.9 Ų | 110.9 | 49% | 0.485 | 58% | 0.575 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -77.7 | 119 | 175.8 | -175.3 | 0 | 0 | 0 | 0 | 108.6 | W36 S65 | V34-W36 PolarHBondContact O-N 3.1Å; V34-S65 PolarHBondContact N-O 2.03Å |
| 35 | P | 57.7 | Low | 60.2 | Low | 95 Ų | 95 | 111.8 Ų | 111.8 | 62% | 0.617 | 59% | 0.587 | S | S | * | * | trans | -66.9 | 119.2 | 178.7 | 25.5 | -31.6 | 0 | 0 | 0 | 109.8 | C33 R37 | C33-P35 WeakPolarHBondContact O-CD 3.32Å; P35-R37 PolarHBondContact O-N 3.35Å | ||
| 36 | W | 56.8 | Low | 58.5 | Low | 158 Ų | 158 | 118.1 Ų | 118.1 | 60% | 0.598 | 63% | 0.626 | S | S | * | * | trans | -67.8 | 108.8 | 177.5 | -161.1 | -45.5 | 0 | 0 | 0 | 109.6 | V34 K38 R62 | V34-W36 PolarHBondContact O-N 3.1Å; W36-K38 PolarHBondContact O-N 2.95Å; W36-R62 VanDerWaalsContact CH2-NH2 3.32Å | ||
| 37 | R | 59.8 | Low | 57 | Low | 222 Ų | 222 | 121.2 Ų | 121.2 | 84% | 0.838 | 64% | 0.642 | S | S | * | * | trans | -79.9 | 104.2 | 168.5 | -66.7 | -65 | -148.9 | -175.6 | 5.9 | 108.8 | P35 K39 | P35-R37 PolarHBondContact O-N 3.35Å; R37-K39 PolarHBondContact O-N 2.85Å | ||
| 38 | K | 57.2 | Low | 55.6 | Low | 188 Ų | 188 | 122.6 Ų | 122.6 | 82% | 0.817 | 66% | 0.664 | S | S | * | * | trans | -58.7 | 118.7 | 165.5 | -172.3 | 179.4 | -178.2 | -177.3 | 0 | 106.6 | W36 T40 | W36-K38 PolarHBondContact O-N 2.95Å; K38-T40 PolarHBondContact O-N 2.92Å | ||
| 39 | K | 52.5 | Low | 55 | Low | 191 Ų | 191 | 126.5 Ų | 126.5 | 83% | 0.83 | 69% | 0.693 | S | S | * | * | trans | -58.6 | 111.6 | 170.1 | -68.8 | -171.5 | -177.9 | -179.4 | 0 | 105.9 | R37 Q41 | R37-K39 PolarHBondContact O-N 2.85Å; K39-Q41 PolarHBondContact O-N 2.87Å | ||
| 40 | T | 59.9 | Low | 54.4 | Low | 120 Ų | 120 | 125.4 Ų | 125.4 | 74% | 0.736 | 70% | 0.7 | S | S | * | * | trans | -59.7 | 99.5 | 167.2 | -44 | 0 | 0 | 0 | 0 | 104.5 | K38 N42 | K38-T40 PolarHBondContact O-N 2.92Å; T40-N42 PolarHBondContact O-N 2.69Å; T40-N42 PolarHBondContact O-OD1 3.12Å | ||
| 41 | Q | 50.9 | Low | 53.4 | Low | 177 Ų | 177 | 128.2 Ų | 128.2 | 83% | 0.827 | 72% | 0.72 | S | S | * | * | trans | -60.1 | 117.7 | 161.7 | -73.1 | -172.2 | -29.9 | 0 | 0 | 103.5 | K39 A43 | K39-Q41 PolarHBondContact O-N 2.87Å; Q41-A43 PolarHBondContact O-N 3.04Å | ||
| 42 | N | 49.5 | Very low | 52.5 | Low | 146 Ų | 146 | 127 Ų | 127 | 78% | 0.781 | 73% | 0.727 | S | S | * | * | trans | -62.8 | 73.9 | 172.1 | -57.2 | -5.9 | 0 | 0 | 0 | 106.6 | T40 T44 | T40-N42 PolarHBondContact O-N 2.69Å; T40-N42 PolarHBondContact O-OD1 3.12Å; N42-T44 VanDerWaalsContact C-N 3.25Å; N42-T44 PolarHBondContact O-N 2.83Å | ||
| 43 | A | 52.5 | Low | 51.6 | Low | 84 Ų | 84 | 126 Ų | 126 | 69% | 0.694 | 74% | 0.738 | S | S | * | * | trans | -63.4 | 106.5 | 153.2 | 0 | 0 | 0 | 0 | 0 | 102.6 | Q41 A45 | Q41-A43 PolarHBondContact O-N 3.04Å; A43-A45 PolarHBondContact O-N 2.95Å | ||
| 44 | T | 48.9 | Very low | 50.4 | Low | 137 Ų | 137 | 128.6 Ų | 128.6 | 84% | 0.84 | 75% | 0.752 | S | S | * | * | trans | -51.7 | 87.8 | 165.3 | -8.6 | 0 | 0 | 0 | 0 | 106 | N42 T46 | N42-T44 VanDerWaalsContact C-N 3.25Å; N42-T44 PolarHBondContact O-N 2.83Å; T44-T46 VanDerWaalsContact C-N 3.28Å; T44-T46 PolarHBondContact O-N 3.4Å | ||
| 45 | A | 50.6 | Low | 49.6 | Very low | 78 Ų | 78 | 134 Ų | 134 | 65% | 0.645 | 77% | 0.772 | S | S | * | * | trans | -71 | 97.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 103.8 | A43 V47 | A43-A45 PolarHBondContact O-N 2.95Å; A45-V47 PolarHBondContact O-N 2.04Å | ||
| 46 | T | 41.7 | Very low | 48.9 | Very low | 137 Ų | 137 | 135.8 Ų | 135.8 | 84% | 0.84 | 78% | 0.782 | S | S | * | * | trans | -56.8 | 95.6 | 160.1 | -52.3 | 0 | 0 | 0 | 0 | 105.5 | T44 A48 | T44-T46 VanDerWaalsContact C-N 3.28Å; T44-T46 PolarHBondContact O-N 3.4Å; T46-A48 VanDerWaalsContact C-N 3.28Å; T46-A48 PolarHBondContact O-N 3.09Å | ||
| 47 | V | 42.6 | Very low | 48 | Very low | 126 Ų | 126 | 131.4 Ų | 131.4 | 76% | 0.764 | 79% | 0.786 | S | S | * | * | trans | -69 | 91 | 175.3 | -76.8 | 0 | 0 | 0 | 0 | 107.1 | A45 S49 | A45-V47 PolarHBondContact O-N 2.04Å; V47-S49 PolarHBondContact O-N 3.03Å | ||
| 48 | A | 41.3 | Very low | 47.3 | Very low | 92 Ų | 92 | 127 Ų | 127 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | trans | -66.5 | 121.6 | 157 | 0 | 0 | 0 | 0 | 0 | 106.6 | T46 | T46-A48 VanDerWaalsContact C-N 3.28Å; T46-A48 PolarHBondContact O-N 3.09Å | ||
| 49 | S | 57.4 | Low | 46.5 | Very low | 123 Ų | 123 | 121 Ų | 121 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -48.3 | 132.9 | -171.5 | -54.6 | 0 | 0 | 0 | 0 | 113.9 | V47 | V47-S49 PolarHBondContact O-N 3.03Š|
| 50 | G | 51.3 | Low | 46.1 | Very low | 66 Ų | 66 | 121 Ų | 121 | 68% | 0.68 | 78% | 0.777 | S | S | * | * | trans | 96.9 | 125.8 | 154.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 51 | L | 43.5 | Very low | 45.5 | Very low | 180 Ų | 180 | 123.2 Ų | 123.2 | 94% | 0.942 | 78% | 0.779 | S | S | * | * | trans | 104.1 | 113.1 | 168.3 | -57.5 | 156.1 | 0 | 0 | 0 | 114.2 | A53 | L51-A53 PolarHBondContact O-N 2.99Š| ||
| 52 | A | 40.5 | Very low | 45.4 | Very low | 95 Ų | 95 | 123.1 Ų | 123.1 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | trans | -49.4 | 124.6 | -179 | 0 | 0 | 0 | 0 | 0 | 111.3 | T54 | A52-T54 PolarHBondContact O-N 2.92Š| ||
| 53 | A | 39.3 | Very low | 45.3 | Very low | 91 Ų | 91 | 121.7 Ų | 121.7 | 75% | 0.752 | 77% | 0.77 | S | S | * | * | trans | -67.2 | 98.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | L51 Q55 | L51-A53 PolarHBondContact O-N 2.99Å; A53-Q55 VanDerWaalsContact C-N 3.33Å; A53-Q55 PolarHBondContact O-N 3.06Å | ||
| 54 | T | 39.5 | Very low | 45.4 | Very low | 115 Ų | 115 | 120.3 Ų | 120.3 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | trans | -60.3 | 97.1 | 162 | -52.5 | 0 | 0 | 0 | 0 | 107.6 | A52 T56 | A52-T54 PolarHBondContact O-N 2.92Å; T54-T56 HydrophobicContact CG2-CG2 4.03Å; T54-T56 PolarHBondContact O-N 3.28Å | ||
| 55 | Q | 47.5 | Very low | 45.6 | Very low | 194 Ų | 194 | 117.5 Ų | 117.5 | 91% | 0.907 | 74% | 0.741 | S | S | * | * | trans | -71.2 | 81 | 170.7 | -73.1 | 179.3 | 89.1 | 0 | 0 | 108.8 | A53 | A53-Q55 VanDerWaalsContact C-N 3.33Å; A53-Q55 PolarHBondContact O-N 3.06Å | ||
| 56 | T | 44.5 | Very low | 45.5 | Very low | 132 Ų | 132 | 116.5 Ų | 116.5 | 81% | 0.81 | 73% | 0.728 | S | S | * | * | trans | -99.4 | 97.4 | 163.4 | 32.5 | 0 | 0 | 0 | 0 | 107.2 | T54 | T54-T56 HydrophobicContact CG2-CG2 4.03Å; T54-T56 PolarHBondContact O-N 3.28Å | ||
| 57 | G | 38.3 | Very low | 46.1 | Very low | 66 Ų | 66 | 112 Ų | 112 | 68% | 0.68 | 70% | 0.703 | S | S | * | * | trans | -173.3 | 90.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | A59 | G57-A59 VanDerWaalsContact C-N 3.3Å; G57-A59 PolarHBondContact O-N 2.62Å | ||
| 58 | S | 43.4 | Very low | 46.5 | Very low | 128 Ų | 128 | 110.7 Ų | 110.7 | 90% | 0.895 | 70% | 0.695 | S | S | * | * | trans | -47.7 | 90.5 | 175.6 | -58.4 | 0 | 0 | 0 | 0 | 110.9 | H60 | S58-H60 PolarHBondContact O-N 2.03Š| ||
| 59 | A | 41.5 | Very low | 47.2 | Very low | 64 Ų | 64 | 112.1 Ų | 112.1 | 53% | 0.529 | 68% | 0.681 | S | S | . | * | trans | -65.8 | 104.2 | 162.6 | 0 | 0 | 0 | 0 | 0 | 105.5 | G57 Q61 | G57-A59 VanDerWaalsContact C-N 3.3Å; G57-A59 PolarHBondContact O-N 2.62Å; A59-Q61 HydrophobicContact CB-CG 4.1Å; A59-Q61 PolarHBondContact O-N 2.87Å; A59-Q61 PolarHBondContact O-OE1 3.08Å | ||
| 60 | H | 44.2 | Very low | 47.1 | Very low | 191 Ų | 191 | 109.2 Ų | 109.2 | 88% | 0.884 | 66% | 0.656 | S | S | * | * | trans | -58.4 | 85.9 | 149.3 | -123.2 | 56.3 | 0 | 0 | 0 | 105 | S58 R62 | S58-H60 PolarHBondContact O-N 2.03Å; H60-R62 PolarHBondContact O-N 3.19Å | ||
| 61 | Q | 46.1 | Very low | 47.5 | Very low | 166 Ų | 166 | 106.9 Ų | 106.9 | 78% | 0.776 | 63% | 0.632 | S | S | * | * | trans | -60.2 | 109.1 | 175 | -82.3 | 132.7 | -36.4 | 0 | 0 | 105 | A59 | A59-Q61 HydrophobicContact CB-CG 4.1Å; A59-Q61 PolarHBondContact O-N 2.87Å; A59-Q61 PolarHBondContact O-OE1 3.08Å | ||
| 62 | R | 49.4 | Very low | 48.3 | Very low | 174 Ų | 174 | 99.3 Ų | 99.3 | 66% | 0.657 | 60% | 0.595 | S | S | * | * | trans | -44 | 128.4 | 170.5 | -77 | 171 | 70 | -150.4 | 3.2 | 106.5 | W36 H60 S64 | W36-R62 VanDerWaalsContact CH2-NH2 3.32Å; H60-R62 PolarHBondContact O-N 3.19Å; R62-S64 PolarHBondContact O-N 2.88Å | ||
| 63 | P | 47.6 | Very low | 48.9 | Very low | 117 Ų | 117 | 96.4 Ų | 96.4 | 76% | 0.76 | 57% | 0.569 | S | S | * | * | trans | -54 | 135.1 | -176.3 | 20.3 | -30.2 | 0 | 0 | 0 | 108 | S65 | P63-S65 PolarHBondContact O-N 3.02Š| ||
| 64 | S | 53.9 | Low | 49.5 | Very low | 55 Ų | 55 | 95.7 Ų | 95.7 | 39% | 0.385 | 56% | 0.557 | S | S | . | * | trans | -39.1 | 134.1 | 168.3 | -50 | 0 | 0 | 0 | 0 | 108.3 | R62 C66 | R62-S64 PolarHBondContact O-N 2.88Å; S64-C66 PolarHBondContact O-N 2.68Å | ||
| 65 | S | 53.9 | Low | 49.8 | Very low | 77 Ų | 77 | 98 Ų | 98 | 54% | 0.538 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -67.6 | 93.2 | 170.2 | -166.8 | 0 | 0 | 0 | 0 | 105.9 | V34 P63 | V34-S65 PolarHBondContact N-O 2.03Å; P63-S65 PolarHBondContact O-N 3.02Å |
| 66 | C | 48.1 | Very low | 49.4 | Very low | 57 Ų | 57 | 95 Ų | 95 | 39% | 0.385 | 54% | 0.543 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 115.9 | 178.3 | -62.9 | 0 | 0 | 0 | 0 | 107.2 | C33 S64 | C33-C66 HydrophobicContact CB-CB 4.24Å; C33-C66 WeakPolarHBondContact CB-SG 3.46Å; C33-C66 WeakPolarHBondContact SG-CB 3.25Å; C33-C66 CovalentContact SG-SG 2.07Å; C33-C66 PolarHBondContact SG-SG 3.2Å; S64-C66 PolarHBondContact O-N 2.68Å |
| 67 | S | 53.9 | Low | 49.2 | Very low | 44 Ų | 44 | 94.4 Ų | 94.4 | 31% | 0.308 | 54% | 0.541 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 134.4 | 170.7 | -67.4 | 0 | 0 | 0 | 0 | 108.3 | E32 Y69 | E32-S67 PolarHBondContact N-O 2.69Å; E32-S67 VanDerWaalsContact N-O 3.12Å; E32-S67 PolarHBondContact O-N 2.62Å; S67-Y69 VanDerWaalsContact CB-CE2 3.48Å |
| 68 | V | 51.4 | Low | 49.3 | Very low | 97 Ų | 97 | 101.3 Ų | 101.3 | 59% | 0.588 | 55% | 0.549 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 118.4 | 175.3 | -176.9 | 0 | 0 | 0 | 0 | 107.7 | V29 | V29-V68 HydrophobicContact CG1-CG1 3.46Å; V29-V68 VanDerWaalsContact CG1-CG1 3.46Å |
| 69 | Y | 56.8 | Low | 49.2 | Very low | 122 Ų | 122 | 97.2 Ų | 97.2 | 48% | 0.478 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 133.4 | 175.1 | -63.1 | -79.5 | 0 | 0 | 0 | 110 | F30 E32 S67 | F30-Y69 PolarHBondContact N-O 3.34Å; F30-Y69 PolarHBondContact O-N 3.03Å; E32-Y69 HydrophobicContact CB-CD2 4.21Å; E32-Y69 HydrophobicContact CB-CE2 3.99Å; S67-Y69 VanDerWaalsContact CB-CE2 3.48Å |
| 70 | L | 55 | Low | 49.2 | Very low | 62 Ų | 62 | 101.5 Ų | 101.5 | 33% | 0.325 | 54% | 0.536 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 117.2 | 170.3 | -71 | 165.2 | 0 | 0 | 0 | 108.6 | V29 A90 | V29-L70 HydrophobicContact CG2-CD2 4.05Å; L70-A90 HydrophobicContact CD1-CB 3.8Å |
| 71 | G | 60.1 | Low | 49 | Very low | 17 Ų | 17 | 93.6 Ų | 93.6 | 18% | 0.175 | 50% | 0.502 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 157.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | Q27 T28 | Q27-G71 WeakPolarHBondContact CA-O 3.03Å; T28-G71 PolarHBondContact N-O 3.01Å; T28-G71 PolarHBondContact O-N 2.07Å; T28-G71 PolarHBondContact OG1-O 3.47Å |
| 72 | A | 59.2 | Low | 48.9 | Very low | 22 Ų | 22 | 91 Ų | 91 | 18% | 0.182 | 50% | 0.497 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 126.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | V14 T25 | V14-A72 HydrophobicContact CG1-CB 4Å; T25-A72 HydrophobicContact CG2-CB 3.48Å; T25-A72 VanDerWaalsContact CG2-CB 3.48Å |
| 73 | S | 53.3 | Low | 48.8 | Very low | 34 Ų | 34 | 84.4 Ų | 84.4 | 24% | 0.238 | 48% | 0.475 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 130.1 | 170.4 | -165.3 | 0 | 0 | 0 | 0 | 109.8 | T25 S26 K75 | T25-S73 PolarHBondContact OG1-O 3.06Å; S26-S73 WeakPolarHBondContact O-CB 3.36Å; S26-S73 PolarHBondContact O-N 3.41Å; S73-K75 PolarHBondContact O-N 3.16Å |
| 74 | P | 52.4 | Low | 48.7 | Very low | 76 Ų | 76 | 84.2 Ų | 84.2 | 49% | 0.494 | 47% | 0.467 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 127.1 | 164.9 | 23.3 | -27.2 | 0 | 0 | 0 | 108.8 | E76 L83 | P74-E76 VanDerWaalsContact C-N 3.28Å; P74-L83 HydrophobicContact CB-CD1 4.1Å |
| 75 | K | 45 | Very low | 48.5 | Very low | 164 Ų | 164 | 86.1 Ų | 86.1 | 71% | 0.713 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -88 | 12.1 | 178.7 | -104.8 | -97.8 | 179.6 | 169.2 | 0 | 113.4 | S73 | S73-K75 PolarHBondContact O-N 3.16Š|
| 76 | E | 40.5 | Very low | 48.3 | Very low | 129 Ų | 129 | 84.2 Ų | 84.2 | 60% | 0.603 | 48% | 0.479 | S | S | * | . | trans | -138.6 | 127.1 | 177.3 | -90 | -129.8 | 83.2 | 0 | 0 | 112.1 | P74 Y78 A79 | P74-E76 VanDerWaalsContact C-N 3.28Å; E76-Y78 PolarHBondContact O-N 2.9Å; E76-A79 HydrophobicContact CB-CB 3.95Å | ||
| 77 | P | 38.8 | Very low | 48.5 | Very low | 120 Ų | 120 | 87.2 Ų | 87.2 | 78% | 0.779 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -1.7 | 178.5 | 25.9 | -29.9 | 0 | 0 | 0 | 114.8 | ||
| 78 | Y | 40.9 | Very low | 48.9 | Very low | 212 Ų | 212 | 85.4 Ų | 85.4 | 83% | 0.831 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.6 | 10.9 | -176.7 | -78.8 | -81.6 | 0 | 0 | 0 | 115.2 | E76 N80 | E76-Y78 PolarHBondContact O-N 2.9Å; Y78-N80 PolarHBondContact O-N 3.4Å |
| 79 | A | 40.6 | Very low | 48.8 | Very low | 41 Ų | 41 | 84.1 Ų | 84.1 | 34% | 0.339 | 48% | 0.483 | S | S | . | . | trans | -97.4 | 100.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | E76 T81 | E76-A79 HydrophobicContact CB-CB 3.95Å; A79-T81 PolarHBondContact O-N 2.86Å | ||
| 80 | N | 41.2 | Very low | 48.1 | Very low | 155 Ų | 155 | 81.2 Ų | 81.2 | 83% | 0.829 | 48% | 0.484 | S | S | * | . | trans | -65.8 | 50.4 | 152.8 | -179.8 | 8.7 | 0 | 0 | 0 | 109.5 | Y78 | Y78-N80 PolarHBondContact O-N 3.4Š| ||
| 81 | T | 41.6 | Very low | 47.5 | Very low | 25 Ų | 25 | 82.7 Ų | 82.7 | 15% | 0.153 | 50% | 0.499 | C | S | . | . | trans | -92.7 | 107.2 | 168.5 | -58.2 | 0 | 0 | 0 | 0 | 104.2 | N16 L18 A79 L83 | N16-T81 WeakPolarHBondContact OD1-CG2 3.1Å; L18-T81 HydrophobicContact CD1-CG2 4.08Å; L18-T81 VanDerWaalsContact CD1-OG1 3.27Å; L18-T81 WeakPolarHBondContact CD1-OG1 3.44Å; L18-T81 HydrophobicContact CG-CG2 4.2Å; A79-T81 PolarHBondContact O-N 2.86Å; T81-L83 HydrophobicContact CG2-CG 4.37Å; T81-L83 PolarHBondContact O-N 2.68Å | ||
| 82 | T | 42.3 | Very low | 46.2 | Very low | 110 Ų | 110 | 94.3 Ų | 94.3 | 68% | 0.675 | 55% | 0.548 | S | S | * | . | trans | -57 | 81.8 | 155.8 | -42.5 | 0 | 0 | 0 | 0 | 106.3 | S17 N84 | S17-T82 WeakPolarHBondContact CB-O 3.27Å; T82-N84 PolarHBondContact O-N 3.3Å; T82-N84 VanDerWaalsContact O-N 3.08Å | ||
| 83 | L | 48.7 | Very low | 45.6 | Very low | 37 Ų | 37 | 97.9 Ų | 97.9 | 19% | 0.194 | 57% | 0.567 | C | S | . | * | trans | -52.4 | 119.8 | 162.3 | -75.8 | 159.2 | 0 | 0 | 0 | 102.9 | F23 P74 T81 A85 | F23-L83 HydrophobicContact CE1-CD2 4.32Å; F23-L83 HydrophobicContact CZ-CD2 3.77Å; P74-L83 HydrophobicContact CB-CD1 4.1Å; T81-L83 HydrophobicContact CG2-CG 4.37Å; T81-L83 PolarHBondContact O-N 2.68Å; L83-A85 PolarHBondContact O-N 3.08Å | ||
| 84 | N | 45.6 | Very low | 45.2 | Very low | 113 Ų | 113 | 101.3 Ų | 101.3 | 60% | 0.604 | 58% | 0.584 | S | S | * | * | trans | -50.2 | 117.5 | 166.3 | -94.7 | -79.9 | 0 | 0 | 0 | 103.9 | T82 G86 | T82-N84 PolarHBondContact O-N 3.3Å; T82-N84 VanDerWaalsContact O-N 3.08Å; N84-G86 PolarHBondContact O-N 3.22Å | ||
| 85 | A | 48.2 | Very low | 44.8 | Very low | 95 Ų | 95 | 102.7 Ų | 102.7 | 79% | 0.785 | 59% | 0.589 | S | S | * | * | trans | -67.4 | 74.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 106.5 | L83 T87 | L83-A85 PolarHBondContact O-N 3.08Å; A85-T87 VanDerWaalsContact C-N 3.3Å; A85-T87 PolarHBondContact O-N 2.74Å | ||
| 86 | G | 49.8 | Very low | 44.8 | Very low | 37 Ų | 37 | 99.1 Ų | 99.1 | 38% | 0.381 | 58% | 0.582 | S | S | . | * | trans | -62.5 | 105.1 | 162.7 | 0 | 0 | 0 | 0 | 0 | 103.6 | N84 C88 | N84-G86 PolarHBondContact O-N 3.22Å; G86-C88 PolarHBondContact O-N 3.47Å | ||
| 87 | T | 53.9 | Low | 45 | Very low | 120 Ų | 120 | 97.2 Ų | 97.2 | 74% | 0.736 | 58% | 0.58 | S | S | * | * | trans | -59.2 | 110.8 | 167.5 | 42.3 | 0 | 0 | 0 | 0 | 106 | A85 A89 | A85-T87 VanDerWaalsContact C-N 3.3Å; A85-T87 PolarHBondContact O-N 2.74Å; T87-A89 PolarHBondContact O-N 2.78Å | ||
| 88 | C | 61 | Low | 45.4 | Very low | 5 Ų | 5 | 95.7 Ų | 95.7 | 3% | 0.034 | 57% | 0.567 | C | S | . | * | trans | -75 | 90.5 | 171.2 | -74.5 | 0 | 0 | 0 | 0 | 105.6 | C12 Q27 G86 A90 | C12-C88 VanDerWaalsContact CA-SG 3.6Å; C12-C88 HydrophobicContact CB-CB 3.81Å; C12-C88 WeakPolarHBondContact CB-SG 3.27Å; C12-C88 WeakPolarHBondContact SG-CB 3.18Å; C12-C88 CovalentContact SG-SG 2.04Å; C12-C88 PolarHBondContact SG-SG 2.79Å; Q27-C88 HydrophobicContact CG-CB 4.4Å; G86-C88 PolarHBondContact O-N 3.47Å; C88-A90 PolarHBondContact O-N 3.27Å | ||
| 89 | A | 49.1 | Very low | 45.8 | Very low | 71 Ų | 71 | 87.4 Ų | 87.4 | 59% | 0.587 | 55% | 0.548 | S | S | * | . | trans | -68.4 | 120.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | T87 S91 | T87-A89 PolarHBondContact O-N 2.78Å; A89-S91 PolarHBondContact O-N 3.35Å; A89-S91 VanDerWaalsContact O-N 3.1Å | ||
| 90 | A | 43.8 | Very low | 46.2 | Very low | 61 Ų | 61 | 90.9 Ų | 90.9 | 50% | 0.504 | 56% | 0.564 | S | S | . | * | trans | -58.4 | 114.6 | 168.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | L70 C88 H92 | L70-A90 HydrophobicContact CD1-CB 3.8Å; C88-A90 PolarHBondContact O-N 3.27Å; A90-H92 PolarHBondContact O-N 3.5Å | ||
| 91 | S | 40.7 | Very low | 46.6 | Very low | 93 Ų | 93 | 85.6 Ų | 85.6 | 65% | 0.65 | 54% | 0.542 | S | S | * | . | trans | -66.5 | 125.8 | 170.6 | -48.8 | 0 | 0 | 0 | 0 | 107.8 | A89 | A89-S91 PolarHBondContact O-N 3.35Å; A89-S91 VanDerWaalsContact O-N 3.1Å | ||
| 92 | H | 34.2 | Very low | 47 | Very low | 260 Ų | 260 | 91.1 Ų | 91.1 | 100% | 1.204 | 58% | 0.578 | S | S | * | * | trans | -72.9 | 0 | -169.6 | -141.2 | -83.2 | 0 | 0 | 0 | 113.9 | A90 | A90-H92 PolarHBondContact O-N 3.5Š|
Retrieved 92 of 92 residues in 257.3 ms
(Link to these results)