| 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 | 42.3 | Very low | 60 | Low | 88 Ų | 88 | 84.5 Ų | 84.5 | 43% | 0.433 | 46% | 0.458 | S | S | . | . | 0 | 135.7 | 0 | -168 | -176.3 | -158.8 | 0 | 0 | 108.1 | V3 P7 Q8 P18 Y21 C34 | M1-V3 HydrophobicContact CG-CG2 4.27Å; M1-V3 HydrophobicContact SD-CG2 4.1Å; M1-P7 WeakPolarHBondContact O-CA 2.99Å; M1-Q8 HydrophobicContact CB-CB 4.43Å; M1-Q8 PolarHBondContact O-N 3.1Å; M1-P18 HydrophobicContact SD-CG 3.96Å; M1-Y21 HydrophobicContact CB-CE1 4.23Å; M1-Y21 VanDerWaalsContact N-CE1 3.31Å; M1-C34 PolarHBondContact N-O 3.27Å | |||
| 2 | L | 49.8 | Very low | 61.1 | Low | 119 Ų | 119 | 84.2 Ų | 84.2 | 62% | 0.623 | 46% | 0.463 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 113.2 | 168.9 | -75.6 | 132.1 | 0 | 0 | 0 | 107.6 | G5 V6 P7 | L2-G5 WeakPolarHBondContact CD2-O 3.42Å; L2-V6 CarbonylContact C-O 3.53Å; L2-V6 VanDerWaalsContact CA-O 3.29Å; L2-V6 WeakPolarHBondContact CA-O 3.48Å; L2-P7 HydrophobicContact CD2-CG 4.23Å |
| 3 | V | 49.5 | Very low | 61.6 | Low | 67 Ų | 67 | 84.6 Ų | 84.6 | 41% | 0.406 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 117.8 | 172 | -172.9 | 0 | 0 | 0 | 0 | 105.6 | M1 G5 V6 Q8 | M1-V3 HydrophobicContact CG-CG2 4.27Å; M1-V3 HydrophobicContact SD-CG2 4.1Å; V3-G5 PolarHBondContact O-N 2.96Å; V3-V6 PolarHBondContact N-O 3.25Å; V3-V6 PolarHBondContact O-N 3.49Å; V3-Q8 HydrophobicContact CG2-CB 4.34Å |
| 4 | H | 41.8 | Very low | 62.1 | Low | 188 Ų | 188 | 82.6 Ų | 82.6 | 87% | 0.87 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 31.2 | -173.5 | -59 | -73.5 | 0 | 0 | 0 | 115.4 | V6 | H4-V6 VanDerWaalsContact C-N 3.31Å; H4-V6 PolarHBondContact O-N 3.45Å |
| 5 | G | 48.2 | Very low | 62.3 | Low | 59 Ų | 59 | 85.6 Ų | 85.6 | 61% | 0.608 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.7 | 7.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | L2 V3 | L2-G5 WeakPolarHBondContact CD2-O 3.42Å; V3-G5 PolarHBondContact O-N 2.96Å |
| 6 | V | 54.6 | Low | 63 | Low | 82 Ų | 82 | 84.2 Ų | 84.2 | 50% | 0.497 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 131 | 174 | -173.4 | 0 | 0 | 0 | 0 | 109.8 | L2 V3 H4 Q8 | L2-V6 CarbonylContact C-O 3.53Å; L2-V6 VanDerWaalsContact CA-O 3.29Å; L2-V6 WeakPolarHBondContact CA-O 3.48Å; V3-V6 PolarHBondContact N-O 3.25Å; V3-V6 PolarHBondContact O-N 3.49Å; H4-V6 VanDerWaalsContact C-N 3.31Å; H4-V6 PolarHBondContact O-N 3.45Å; V6-Q8 PolarHBondContact O-N 3.44Å |
| 7 | P | 62.9 | Low | 63.3 | Low | 27 Ų | 27 | 80.9 Ų | 80.9 | 18% | 0.175 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.8 | 128.9 | 175 | -20.6 | 31.6 | 0 | 0 | 0 | 110.5 | M1 L2 E9 Q33 | M1-P7 WeakPolarHBondContact O-CA 2.99Å; L2-P7 HydrophobicContact CD2-CG 4.23Å; P7-E9 PolarHBondContact O-N 3.44Å; P7-Q33 HydrophobicContact CB-CB 4.3Å |
| 8 | Q | 70.7 | Confident | 63.5 | Low | 54 Ų | 54 | 79 Ų | 79 | 25% | 0.252 | 48% | 0.478 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 120.4 | 174.8 | -170.6 | -171.7 | -23.8 | 0 | 0 | 109.4 | M1 V3 V6 T16 Q33 C34 | M1-Q8 HydrophobicContact CB-CB 4.43Å; M1-Q8 PolarHBondContact O-N 3.1Å; V3-Q8 HydrophobicContact CG2-CB 4.34Å; V6-Q8 PolarHBondContact O-N 3.44Å; Q8-T16 PolarHBondContact NE2-O 3.25Å; Q8-Q33 CarbonylContact O-C 3.6Å; Q8-Q33 VanDerWaalsContact O-CA 3.28Å; Q8-Q33 WeakPolarHBondContact O-CA 3.44Å; Q8-C34 PolarHBondContact O-N 2.86Å |
| 9 | E | 78.7 | Confident | 63.3 | Low | 108 Ų | 108 | 80.5 Ų | 80.5 | 51% | 0.505 | 50% | 0.499 | S | S | . | . | B | Isolated β-bridge | trans | -73.3 | 151 | 174.4 | -62.4 | -179.8 | -179.1 | 0 | 0 | 110.1 | P7 R31 Y32 | P7-E9 PolarHBondContact O-N 3.44Å; E9-R31 WeakPolarHBondContact OE1-CD 3.33Å; E9-R31 IonicContact OE1-CZ 3Å; E9-R31 IonicContact OE1-NE 2.7Å; E9-R31 IonicContact OE1-NH1 3.73Å; E9-R31 PolarHBondContact OE1-NH1 3.28Å; E9-Y32 VanDerWaalsContact CA-O 3.26Å; E9-Y32 WeakPolarHBondContact CA-O 3.42Å |
| 10 | C | 81.2 | Confident | 63 | Low | 11 Ų | 11 | 79.3 Ų | 79.3 | 7% | 0.074 | 50% | 0.504 | C | S | . | . | trans | -140.6 | 159.5 | 179.2 | 57.8 | 0 | 0 | 0 | 0 | 110.4 | C23 Y32 Q33 C34 | C10-C23 HydrophobicContact CB-CB 3.88Å; C10-C23 WeakPolarHBondContact CB-SG 3Å; C10-C23 WeakPolarHBondContact SG-CA 3.2Å; C10-C23 WeakPolarHBondContact SG-CB 3.13Å; C10-C23 CovalentContact SG-SG 2.03Å; C10-C23 PolarHBondContact SG-SG 2.87Å; C10-Y32 PolarHBondContact N-O 3.34Å; C10-Y32 VanDerWaalsContact N-O 3.15Å; C10-Y32 WeakPolarHBondContact O-CB 3.16Å; C10-Q33 VanDerWaalsContact SG-CA 3.6Å; C10-Q33 PolarHBondContact SG-N 3.34Å; C10-Q33 VanDerWaalsContact SG-N 3.42Å; C10-Q33 PolarHBondContact SG-O 2.93Å; C10-C34 VanDerWaalsContact CB-SG 3.58Å | ||
| 11 | E | 80.2 | Confident | 63.2 | Low | 127 Ų | 127 | 79.7 Ų | 79.7 | 59% | 0.593 | 50% | 0.496 | S | S | * | . | trans | -105.4 | 131.9 | 172.4 | -73 | 171.8 | 155.7 | 0 | 0 | 110.1 | G13 T14 | E11-G13 PolarHBondContact O-N 2.84Å; E11-G13 VanDerWaalsContact O-N 3.12Å; E11-T14 HydrophobicContact CB-CG2 3.92Å; E11-T14 WeakPolarHBondContact CB-OG1 3.37Å; E11-T14 PolarHBondContact O-N 2.95Å; E11-T14 VanDerWaalsContact O-N 3.09Å; E11-T14 PolarHBondContact O-OG1 2.63Å | ||
| 12 | P | 73.8 | Confident | 64.6 | Low | 80 Ų | 80 | 78.6 Ų | 78.6 | 52% | 0.519 | 50% | 0.495 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | 119 | 176.6 | 24.5 | -31.5 | 0 | 0 | 0 | 109.8 | Y32 | P12-Y32 HydrophobicContact CB-CD1 4.44Å; P12-Y32 HydrophobicContact CB-CE1 4.09Å; P12-Y32 HydrophobicContact CG-CD1 4.39Å; P12-Y32 HydrophobicContact CG-CD2 4.28Å; P12-Y32 HydrophobicContact CG-CE1 4.05Å; P12-Y32 HydrophobicContact CG-CE2 3.95Å; P12-Y32 HydrophobicContact CG-CG 4.5Å |
| 13 | G | 67.3 | Low | 65.9 | Low | 90 Ų | 90 | 74.6 Ų | 74.6 | 93% | 0.928 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 101.6 | -8.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | E11 | E11-G13 PolarHBondContact O-N 2.84Å; E11-G13 VanDerWaalsContact O-N 3.12Å |
| 14 | T | 68.9 | Low | 67.3 | Low | 57 Ų | 57 | 76 Ų | 76 | 35% | 0.35 | 48% | 0.478 | S | S | . | . | S | Bend | trans | -98.5 | 141.8 | 172.3 | 66.6 | 0 | 0 | 0 | 0 | 111.3 | E11 T16 | E11-T14 HydrophobicContact CB-CG2 3.92Å; E11-T14 WeakPolarHBondContact CB-OG1 3.37Å; E11-T14 PolarHBondContact O-N 2.95Å; E11-T14 VanDerWaalsContact O-N 3.09Å; E11-T14 PolarHBondContact O-OG1 2.63Å; T14-T16 PolarHBondContact O-N 2.95Å; T14-T16 WeakPolarHBondContact OG1-CG2 3.04Å; T14-T16 PolarHBondContact OG1-OG1 2.75Å |
| 15 | S | 65.5 | Low | 69.1 | Low | 127 Ų | 127 | 73.1 Ų | 73.1 | 89% | 0.888 | 46% | 0.461 | S | S | * | . | trans | -78.4 | 51.6 | 172.1 | 63.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 16 | T | 72 | Confident | 70.2 | Confident | 63 Ų | 63 | 71.4 Ų | 71.4 | 39% | 0.387 | 44% | 0.438 | S | S | . | . | trans | -84.5 | -15.6 | 178.9 | 40.1 | 0 | 0 | 0 | 0 | 112.7 | Q8 T14 | Q8-T16 PolarHBondContact NE2-O 3.25Å; T14-T16 PolarHBondContact O-N 2.95Å; T14-T16 WeakPolarHBondContact OG1-CG2 3.04Å; T14-T16 PolarHBondContact OG1-OG1 2.75Å | ||
| 17 | C | 68.1 | Low | 71.1 | Confident | 28 Ų | 28 | 72.5 Ų | 72.5 | 19% | 0.189 | 45% | 0.449 | C | S | . | . | S | Bend | trans | -85.7 | 134.5 | 177.4 | -64.4 | 0 | 0 | 0 | 0 | 112.5 | C34 | C17-C34 WeakPolarHBondContact CA-SG 3.09Å; C17-C34 HydrophobicContact CB-CB 3.92Å; C17-C34 WeakPolarHBondContact CB-SG 3.17Å; C17-C34 VanDerWaalsContact SG-CA 3.5Å; C17-C34 WeakPolarHBondContact SG-CB 3.24Å; C17-C34 CovalentContact SG-SG 2.05Å; C17-C34 PolarHBondContact SG-SG 3.07Å |
| 18 | P | 67.6 | Low | 71.3 | Confident | 47 Ų | 47 | 79.8 Ų | 79.8 | 31% | 0.305 | 48% | 0.481 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 159.8 | 174.5 | 15.4 | -19.1 | 0 | 0 | 0 | 112.1 | M1 G20 Y21 | M1-P18 HydrophobicContact SD-CG 3.96Å; P18-G20 PolarHBondContact O-N 3.32Å; P18-Y21 HydrophobicContact CB-CD2 4.42Å; P18-Y21 HydrophobicContact CG-CD2 3.94Å; P18-Y21 HydrophobicContact CG-CE2 4.47Å; P18-Y21 HydrophobicContact CG-CG 4.39Å; P18-Y21 WeakPolarHBondContact O-CB 3.31Å; P18-Y21 PolarHBondContact O-N 3.48Å |
| 19 | A | 58.9 | Low | 71.1 | Confident | 107 Ų | 107 | 83.6 Ų | 83.6 | 88% | 0.884 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | 128.6 | 179 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 20 | G | 57.6 | Low | 71.1 | Confident | 57 Ų | 57 | 81 Ų | 81 | 59% | 0.588 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.9 | -1.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | P18 | P18-G20 PolarHBondContact O-N 3.32Š|
| 21 | Y | 67.7 | Low | 71.1 | Confident | 87 Ų | 87 | 84.9 Ų | 84.9 | 34% | 0.341 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 140.8 | 174.7 | -67.3 | -101.2 | 0 | 0 | 0 | 111 | M1 P18 C34 C35 G36 | M1-Y21 HydrophobicContact CB-CE1 4.23Å; M1-Y21 VanDerWaalsContact N-CE1 3.31Å; P18-Y21 HydrophobicContact CB-CD2 4.42Å; P18-Y21 HydrophobicContact CG-CD2 3.94Å; P18-Y21 HydrophobicContact CG-CE2 4.47Å; P18-Y21 HydrophobicContact CG-CG 4.39Å; P18-Y21 WeakPolarHBondContact O-CB 3.31Å; P18-Y21 PolarHBondContact O-N 3.48Å; Y21-C34 HydrophobicContact CD1-CB 4.41Å; Y21-C35 CarbonylContact C-O 3.59Å; Y21-C35 WeakPolarHBondContact CA-O 3.5Å; Y21-G36 VanDerWaalsContact CD1-CA 3.48Å |
| 22 | T | 72 | Confident | 71.2 | Confident | 66 Ų | 66 | 83.5 Ų | 83.5 | 41% | 0.405 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 137.5 | 174.8 | -70.9 | 0 | 0 | 0 | 0 | 109.1 | Q24 C35 | T22-Q24 HydrophobicContact CG2-CG 4.15Å; T22-Q24 PolarHBondContact O-N 3.4Å; T22-C35 PolarHBondContact N-O 3.31Å; T22-C35 PolarHBondContact O-N 3.46Å; T22-C35 VanDerWaalsContact O-O 3.09Å |
| 23 | C | 76.8 | Confident | 71.5 | Confident | 35 Ų | 35 | 81.1 Ų | 81.1 | 24% | 0.236 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 114.8 | 174.4 | -170 | 0 | 0 | 0 | 0 | 109.5 | C10 | C10-C23 HydrophobicContact CB-CB 3.88Å; C10-C23 WeakPolarHBondContact CB-SG 3Å; C10-C23 WeakPolarHBondContact SG-CA 3.2Å; C10-C23 WeakPolarHBondContact SG-CB 3.13Å; C10-C23 CovalentContact SG-SG 2.03Å; C10-C23 PolarHBondContact SG-SG 2.87Å |
| 24 | Q | 78.7 | Confident | 71.8 | Confident | 96 Ų | 96 | 77.1 Ų | 77.1 | 45% | 0.449 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 145.4 | 179.7 | -71.3 | -174.2 | -23.3 | 0 | 0 | 110.9 | T22 Q33 C35 | T22-Q24 HydrophobicContact CG2-CG 4.15Å; T22-Q24 PolarHBondContact O-N 3.4Å; Q24-Q33 PolarHBondContact N-O 3.11Å; Q24-Q33 PolarHBondContact O-N 2.82Å; Q24-C35 HydrophobicContact CB-CB 3.9Å; Q24-C35 HydrophobicContact CG-CB 3.93Å; Q24-C35 PolarHBondContact OE1-SG 3.26Å |
| 25 | Y | 79.1 | Confident | 71.8 | Confident | 128 Ų | 128 | 75.6 Ų | 75.6 | 50% | 0.502 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 126.2 | 175.8 | -172.6 | -104.9 | 0 | 0 | 0 | 110.6 | Y32 | Y25-Y32 HydrophobicContact CD2-CD1 4.16Å; Y25-Y32 AromaticContact CD2-CD2 3.93Å; Y25-Y32 HydrophobicContact CD2-CD2 3.93Å; Y25-Y32 AromaticContact CD2-CE1 3.98Å; Y25-Y32 HydrophobicContact CD2-CE1 3.98Å; Y25-Y32 AromaticContact CD2-CE2 3.72Å; Y25-Y32 HydrophobicContact CD2-CE2 3.72Å; Y25-Y32 HydrophobicContact CD2-CG 4.13Å; Y25-Y32 AromaticContact CD2-CZ 3.74Å; Y25-Y32 HydrophobicContact CE2-CE2 4.25Å; Y25-Y32 HydrophobicContact CG-CE1 4.33Å |
| 26 | N | 71 | Confident | 71.7 | Confident | 23 Ų | 23 | 71 Ų | 71 | 12% | 0.123 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 103.5 | 173.6 | -175.3 | -19.4 | 0 | 0 | 0 | 109.8 | E28 R29 G30 R31 Q33 | N26-E28 VanDerWaalsContact C-N 3.27Å; N26-E28 PolarHBondContact O-N 3.04Å; N26-E28 WeakPolarHBondContact OD1-CB 3.32Å; N26-E28 PolarHBondContact OD1-N 2.97Å; N26-R29 HydrophobicContact CB-CB 4.4Å; N26-R29 PolarHBondContact O-N 2.89Å; N26-R29 PolarHBondContact OD1-N 3.38Å; N26-G30 PolarHBondContact O-N 3.06Å; N26-R31 WeakPolarHBondContact CB-O 3.15Å; N26-R31 PolarHBondContact N-O 2.98Å; N26-R31 PolarHBondContact O-N 3.44Å; N26-Q33 HydrophobicContact CB-CG 4.11Å; N26-Q33 PolarHBondContact ND2-NE2 2.79Å; N26-Q33 VanDerWaalsContact ND2-NE2 3.13Å; N26-Q33 PolarHBondContact ND2-OE1 3.42Å |
| 27 | S | 74.8 | Confident | 71 | Confident | 105 Ų | 105 | 73 Ų | 73 | 73% | 0.734 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -19.2 | 179.4 | 24.9 | 0 | 0 | 0 | 0 | 114.2 | ||
| 28 | E | 66.5 | Low | 70 | Confident | 180 Ų | 180 | 77.2 Ų | 77.2 | 84% | 0.841 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -24.7 | 174 | -61.2 | -176.6 | 164.5 | 0 | 0 | 112.5 | N26 | N26-E28 VanDerWaalsContact C-N 3.27Å; N26-E28 PolarHBondContact O-N 3.04Å; N26-E28 WeakPolarHBondContact OD1-CB 3.32Å; N26-E28 PolarHBondContact OD1-N 2.97Å |
| 29 | R | 67.6 | Low | 69 | Low | 134 Ų | 134 | 78.2 Ų | 78.2 | 51% | 0.506 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.1 | 0.1 | -174.9 | -67.6 | -168.7 | 173.4 | -166.8 | -2.2 | 114.6 | N26 R31 | N26-R29 HydrophobicContact CB-CB 4.4Å; N26-R29 PolarHBondContact O-N 2.89Å; N26-R29 PolarHBondContact OD1-N 3.38Å; R29-R31 HydrophobicContact CB-CG 4.2Å; R29-R31 PolarHBondContact O-N 2.85Å; R29-R31 PolarHBondContact O-NE 3.44Å |
| 30 | G | 77.6 | Confident | 68.1 | Low | 52 Ų | 52 | 78.2 Ų | 78.2 | 54% | 0.536 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.2 | 23.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | N26 | N26-G30 PolarHBondContact O-N 3.06Š|
| 31 | R | 82.2 | Confident | 67.5 | Low | 94 Ų | 94 | 77.3 Ų | 77.3 | 36% | 0.355 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 153.3 | -173.2 | 74.5 | -174.5 | 91.4 | -172.8 | 6 | 112.7 | E9 N26 R29 | E9-R31 WeakPolarHBondContact OE1-CD 3.33Å; E9-R31 IonicContact OE1-CZ 3Å; E9-R31 IonicContact OE1-NE 2.7Å; E9-R31 IonicContact OE1-NH1 3.73Å; E9-R31 PolarHBondContact OE1-NH1 3.28Å; N26-R31 WeakPolarHBondContact CB-O 3.15Å; N26-R31 PolarHBondContact N-O 2.98Å; N26-R31 PolarHBondContact O-N 3.44Å; R29-R31 HydrophobicContact CB-CG 4.2Å; R29-R31 PolarHBondContact O-N 2.85Å; R29-R31 PolarHBondContact O-NE 3.44Å |
| 32 | Y | 81.2 | Confident | 66.5 | Low | 98 Ų | 98 | 77.3 Ų | 77.3 | 38% | 0.384 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 135 | 170.6 | -74.1 | -85.9 | 0 | 0 | 0 | 110.1 | E9 C10 P12 Y25 | E9-Y32 VanDerWaalsContact CA-O 3.26Å; E9-Y32 WeakPolarHBondContact CA-O 3.42Å; C10-Y32 PolarHBondContact N-O 3.34Å; C10-Y32 VanDerWaalsContact N-O 3.15Å; C10-Y32 WeakPolarHBondContact O-CB 3.16Å; P12-Y32 HydrophobicContact CB-CD1 4.44Å; P12-Y32 HydrophobicContact CB-CE1 4.09Å; P12-Y32 HydrophobicContact CG-CD1 4.39Å; P12-Y32 HydrophobicContact CG-CD2 4.28Å; P12-Y32 HydrophobicContact CG-CE1 4.05Å; P12-Y32 HydrophobicContact CG-CE2 3.95Å; P12-Y32 HydrophobicContact CG-CG 4.5Å; Y25-Y32 HydrophobicContact CD2-CD1 4.16Å; Y25-Y32 AromaticContact CD2-CD2 3.93Å; Y25-Y32 HydrophobicContact CD2-CD2 3.93Å; Y25-Y32 AromaticContact CD2-CE1 3.98Å; Y25-Y32 HydrophobicContact CD2-CE1 3.98Å; Y25-Y32 AromaticContact CD2-CE2 3.72Å; Y25-Y32 HydrophobicContact CD2-CE2 3.72Å; Y25-Y32 HydrophobicContact CD2-CG 4.13Å; Y25-Y32 AromaticContact CD2-CZ 3.74Å; Y25-Y32 HydrophobicContact CE2-CE2 4.25Å; Y25-Y32 HydrophobicContact CG-CE1 4.33Å |
| 33 | Q | 79.7 | Confident | 65.5 | Low | 30 Ų | 30 | 79.4 Ų | 79.4 | 14% | 0.14 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 150.3 | -179.3 | 62.1 | -179.9 | 18.5 | 0 | 0 | 111 | P7 Q8 C10 Q24 N26 C35 | P7-Q33 HydrophobicContact CB-CB 4.3Å; Q8-Q33 CarbonylContact O-C 3.6Å; Q8-Q33 VanDerWaalsContact O-CA 3.28Å; Q8-Q33 WeakPolarHBondContact O-CA 3.44Å; C10-Q33 VanDerWaalsContact SG-CA 3.6Å; C10-Q33 PolarHBondContact SG-N 3.34Å; C10-Q33 VanDerWaalsContact SG-N 3.42Å; C10-Q33 PolarHBondContact SG-O 2.93Å; Q24-Q33 PolarHBondContact N-O 3.11Å; Q24-Q33 PolarHBondContact O-N 2.82Å; N26-Q33 HydrophobicContact CB-CG 4.11Å; N26-Q33 PolarHBondContact ND2-NE2 2.79Å; N26-Q33 VanDerWaalsContact ND2-NE2 3.13Å; N26-Q33 PolarHBondContact ND2-OE1 3.42Å; Q33-C35 PolarHBondContact O-N 2.91Å |
| 34 | C | 74.4 | Confident | 64.6 | Low | 6 Ų | 6 | 83.2 Ų | 83.2 | 4% | 0.041 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 102 | 175.8 | -67.3 | 0 | 0 | 0 | 0 | 110.5 | M1 Q8 C10 C17 Y21 | M1-C34 PolarHBondContact N-O 3.27Å; Q8-C34 PolarHBondContact O-N 2.86Å; C10-C34 VanDerWaalsContact CB-SG 3.58Å; C17-C34 WeakPolarHBondContact CA-SG 3.09Å; C17-C34 HydrophobicContact CB-CB 3.92Å; C17-C34 WeakPolarHBondContact CB-SG 3.17Å; C17-C34 VanDerWaalsContact SG-CA 3.5Å; C17-C34 WeakPolarHBondContact SG-CB 3.24Å; C17-C34 CovalentContact SG-SG 2.05Å; C17-C34 PolarHBondContact SG-SG 3.07Å; Y21-C34 HydrophobicContact CD1-CB 4.41Å |
| 35 | C | 68 | Low | 64.1 | Low | 25 Ų | 25 | 79.2 Ų | 79.2 | 17% | 0.169 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 124.2 | 176.1 | -73.3 | 0 | 0 | 0 | 0 | 110.1 | Y21 T22 Q24 Q33 L37 | Y21-C35 CarbonylContact C-O 3.59Å; Y21-C35 WeakPolarHBondContact CA-O 3.5Å; T22-C35 PolarHBondContact N-O 3.31Å; T22-C35 PolarHBondContact O-N 3.46Å; T22-C35 VanDerWaalsContact O-O 3.09Å; Q24-C35 HydrophobicContact CB-CB 3.9Å; Q24-C35 HydrophobicContact CG-CB 3.93Å; Q24-C35 PolarHBondContact OE1-SG 3.26Å; Q33-C35 PolarHBondContact O-N 2.91Å; C35-L37 PolarHBondContact O-N 3.48Å |
| 36 | G | 63.9 | Low | 63.5 | Low | 29 Ų | 29 | 74.4 Ų | 74.4 | 30% | 0.299 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 130.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | Y21 S38 | Y21-G36 VanDerWaalsContact CD1-CA 3.48Å; G36-S38 PolarHBondContact O-N 2.97Å |
| 37 | L | 57.5 | Low | 63.4 | Low | 105 Ų | 105 | 76.3 Ų | 76.3 | 55% | 0.55 | 46% | 0.463 | S | S | . | . | trans | -57.4 | 112.4 | 164.4 | -80.3 | 159.1 | 0 | 0 | 0 | 106.4 | C35 G39 V40 | C35-L37 PolarHBondContact O-N 3.48Å; L37-G39 PolarHBondContact O-N 2.8Å; L37-V40 HydrophobicContact CB-CG2 4.48Å | ||
| 38 | S | 47.8 | Very low | 62.6 | Low | 118 Ų | 118 | 75.6 Ų | 75.6 | 83% | 0.825 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | 37 | -177.9 | -49.6 | 0 | 0 | 0 | 0 | 113.5 | G36 | G36-S38 PolarHBondContact O-N 2.97Š|
| 39 | G | 45.7 | Very low | 62.3 | Low | 68 Ų | 68 | 74.5 Ų | 74.5 | 70% | 0.701 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -159.6 | 7.3 | -172.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | L37 | L37-G39 PolarHBondContact O-N 2.8Š|
| 40 | V | 41.5 | Very low | 62.2 | Low | 107 Ų | 107 | 70.5 Ų | 70.5 | 65% | 0.648 | 45% | 0.452 | S | S | * | . | trans | -132.1 | 62.9 | 178.1 | -157.6 | 0 | 0 | 0 | 0 | 111.4 | L37 | L37-V40 HydrophobicContact CB-CG2 4.48Š| ||
| 41 | G | 43.7 | Very low | 61.8 | Low | 37 Ų | 37 | 72 Ų | 72 | 38% | 0.381 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -65.7 | 158.2 | 138.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | S43 | G41-S43 PolarHBondContact O-N 2.79Š|
| 42 | P | 48 | Very low | 61.3 | Low | 88 Ų | 88 | 68 Ų | 68 | 57% | 0.571 | 43% | 0.433 | S | S | * | . | trans | -51.3 | 125.1 | -179.1 | -8.8 | 18.4 | 0 | 0 | 0 | 107.5 | N44 V45 | P42-N44 PolarHBondContact O-N 2.88Å; P42-V45 HydrophobicContact CB-CG2 3.82Å; P42-V45 HydrophobicContact CG-CG2 3.65Å; P42-V45 WeakPolarHBondContact O-CG2 3.47Å; P42-V45 PolarHBondContact O-N 3.35Å | ||
| 43 | S | 51 | Low | 60.8 | Low | 109 Ų | 109 | 66.1 Ų | 66.1 | 76% | 0.762 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | 7.4 | -165.3 | 31.9 | 0 | 0 | 0 | 0 | 115.5 | G41 | G41-S43 PolarHBondContact O-N 2.79Š|
| 44 | N | 57.3 | Low | 60.3 | Low | 115 Ų | 115 | 68.1 Ų | 68.1 | 62% | 0.615 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.6 | 7.4 | -175.3 | -58.3 | -31 | 0 | 0 | 0 | 113.7 | P42 | P42-N44 PolarHBondContact O-N 2.88Š|
| 45 | V | 68.1 | Low | 59.8 | Low | 13 Ų | 13 | 69.6 Ų | 69.6 | 8% | 0.079 | 45% | 0.445 | C | S | . | . | S | Bend | trans | -83.6 | -44.9 | -175.5 | 175.9 | 0 | 0 | 0 | 0 | 112.6 | P42 A52 A61 Y85 | P42-V45 HydrophobicContact CB-CG2 3.82Å; P42-V45 HydrophobicContact CG-CG2 3.65Å; P42-V45 WeakPolarHBondContact O-CG2 3.47Å; P42-V45 PolarHBondContact O-N 3.35Å; V45-A52 HydrophobicContact CG1-CB 3.91Å; V45-A61 HydrophobicContact CG1-CB 4.17Å; V45-Y85 HydrophobicContact CG1-CD1 3.73Å; V45-Y85 HydrophobicContact CG1-CD2 3.6Å; V45-Y85 HydrophobicContact CG1-CE1 4.22Å; V45-Y85 HydrophobicContact CG1-CE2 4.09Å; V45-Y85 HydrophobicContact CG1-CG 3.38Å |
| 46 | C | 67 | Low | 59.3 | Low | 26 Ų | 26 | 73.5 Ų | 73.5 | 18% | 0.176 | 47% | 0.47 | C | S | . | . | S | Bend | trans | -122.2 | 148.4 | 179.8 | -63.5 | 0 | 0 | 0 | 0 | 110.8 | L50 A52 C87 | C46-L50 HydrophobicContact CB-CB 3.94Å; C46-A52 WeakPolarHBondContact SG-CA 3.45Å; C46-A52 PolarHBondContact SG-N 2.97Å; C46-C87 WeakPolarHBondContact CA-SG 3.11Å; C46-C87 HydrophobicContact CB-CB 3.77Å; C46-C87 WeakPolarHBondContact CB-SG 3.41Å; C46-C87 VanDerWaalsContact SG-CA 3.55Å; C46-C87 WeakPolarHBondContact SG-CB 3.05Å; C46-C87 CovalentContact SG-SG 2.02Å; C46-C87 PolarHBondContact SG-SG 2.86Å |
| 47 | P | 68.7 | Low | 59 | Low | 64 Ų | 64 | 77.1 Ų | 77.1 | 42% | 0.416 | 49% | 0.49 | S | S | . | . | trans | -56.5 | 157 | 173.9 | -20 | 28.7 | 0 | 0 | 0 | 112.2 | N49 L50 I77 | P47-N49 PolarHBondContact O-N 3.03Å; P47-L50 HydrophobicContact CB-CD1 4.21Å; P47-L50 HydrophobicContact CG-CD1 4Å; P47-L50 WeakPolarHBondContact O-CB 3.31Å; P47-L50 PolarHBondContact O-N 2.74Å; P47-I77 HydrophobicContact CG-CD1 4.29Å; P47-I77 HydrophobicContact CG-CG2 3.87Å | ||
| 48 | A | 57.5 | Low | 59.5 | Low | 89 Ų | 89 | 76.2 Ų | 76.2 | 74% | 0.736 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.4 | 132.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 49 | N | 59.5 | Low | 60 | Low | 157 Ų | 157 | 73.2 Ų | 73.2 | 84% | 0.84 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.1 | 10.5 | -174.5 | -44.7 | -57.5 | 0 | 0 | 0 | 116.8 | P47 | P47-N49 PolarHBondContact O-N 3.03Š|
| 50 | L | 65.9 | Low | 61 | Low | 51 Ų | 51 | 78.7 Ų | 78.7 | 27% | 0.267 | 48% | 0.477 | S | S | . | . | trans | -123.8 | 146.6 | 174.2 | -64.2 | 168.6 | 0 | 0 | 0 | 110.8 | C46 P47 I77 C87 | C46-L50 HydrophobicContact CB-CB 3.94Å; P47-L50 HydrophobicContact CB-CD1 4.21Å; P47-L50 HydrophobicContact CG-CD1 4Å; P47-L50 WeakPolarHBondContact O-CB 3.31Å; P47-L50 PolarHBondContact O-N 2.74Å; L50-I77 HydrophobicContact CD1-CD1 3.32Å; L50-C87 HydrophobicContact CB-CB 4.27Å; L50-C87 HydrophobicContact CD1-CB 4.49Å | ||
| 51 | I | 69.9 | Low | 62.5 | Low | 82 Ų | 82 | 74.5 Ų | 74.5 | 42% | 0.421 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 135.1 | -179.1 | -52.2 | -169.4 | 0 | 0 | 0 | 107.8 | Y74 C87 G88 | I51-Y74 VanDerWaalsContact O-CE1 3.31Å; I51-Y74 WeakPolarHBondContact O-CE1 3.3Å; I51-C87 WeakPolarHBondContact O-CA 3.43Å; I51-G88 PolarHBondContact N-O 2.83Å; I51-G88 PolarHBondContact O-N 3.42Å |
| 52 | A | 72.1 | Confident | 64.1 | Low | 10 Ų | 10 | 75 Ų | 75 | 8% | 0.083 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 138.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | V45 C46 I54 A61 C86 | V45-A52 HydrophobicContact CG1-CB 3.91Å; C46-A52 WeakPolarHBondContact SG-CA 3.45Å; C46-A52 PolarHBondContact SG-N 2.97Å; A52-I54 HydrophobicContact CB-CD1 4.34Å; A52-I54 PolarHBondContact O-N 3.26Å; A52-A61 HydrophobicContact CB-CB 3.93Å; A52-C86 CarbonylContact C-O 3.44Å; A52-C86 WeakPolarHBondContact CA-O 3.26Å |
| 53 | Y | 70.8 | Confident | 65.8 | Low | 59 Ų | 59 | 75.5 Ų | 75.5 | 23% | 0.231 | 44% | 0.441 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 121.5 | 168 | -179.5 | -94.4 | 0 | 0 | 0 | 108.2 | A61 M62 P71 Y74 C86 | Y53-A61 CarbonylContact O-C 3.58Å; Y53-A61 WeakPolarHBondContact O-CA 3.44Å; Y53-M62 HydrophobicContact CD1-CB 3.61Å; Y53-M62 HydrophobicContact CD1-CG 4.28Å; Y53-M62 HydrophobicContact CD1-SD 3.66Å; Y53-M62 HydrophobicContact CE1-CB 4.36Å; Y53-M62 HydrophobicContact CE1-SD 3.79Å; Y53-M62 PolarHBondContact O-N 2.76Å; Y53-P71 HydrophobicContact CD1-CG 3.88Å; Y53-P71 HydrophobicContact CD2-CB 4.04Å; Y53-P71 HydrophobicContact CD2-CG 3.71Å; Y53-P71 HydrophobicContact CE1-CG 3.77Å; Y53-P71 HydrophobicContact CE2-CB 3.88Å; Y53-P71 HydrophobicContact CE2-CG 3.6Å; Y53-P71 HydrophobicContact CG-CG 3.84Å; Y53-Y74 VanDerWaalsContact CA-CE1 3.48Å; Y53-Y74 HydrophobicContact CD2-CD2 4.06Å; Y53-Y74 HydrophobicContact CD2-CE1 4.35Å; Y53-Y74 AromaticContact CD2-CE2 3.75Å; Y53-Y74 HydrophobicContact CD2-CE2 3.75Å; Y53-Y74 AromaticContact CD2-CZ 3.9Å; Y53-Y74 HydrophobicContact CG-CE1 4.47Å; Y53-Y74 VanDerWaalsContact N-CE1 3.32Å; Y53-C86 PolarHBondContact N-O 2.98Å |
| 54 | I | 68.4 | Low | 67.3 | Low | 73 Ų | 73 | 70.7 Ų | 70.7 | 37% | 0.374 | 41% | 0.407 | S | S | . | . | B | Isolated β-bridge | trans | -95.7 | 119.6 | 175.9 | -53.9 | -54.3 | 0 | 0 | 0 | 107.6 | A52 P56 G59 A61 | A52-I54 HydrophobicContact CB-CD1 4.34Å; A52-I54 PolarHBondContact O-N 3.26Å; I54-P56 WeakPolarHBondContact O-CD 3.41Å; I54-G59 VanDerWaalsContact CG2-C 3.48Å; I54-G59 WeakPolarHBondContact CG2-O 3.45Å; I54-A61 HydrophobicContact CD1-CB 4.17Å |
| 55 | D | 64.3 | Low | 68.4 | Low | 37 Ų | 37 | 68.2 Ų | 68.2 | 20% | 0.198 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 123.1 | 176.6 | -179.9 | -69.6 | 0 | 0 | 0 | 109.6 | S57 T58 G59 R60 | D55-S57 PolarHBondContact O-N 3.27Å; D55-S57 WeakPolarHBondContact OD1-CA 3.29Å; D55-S57 WeakPolarHBondContact OD1-CB 3.4Å; D55-S57 PolarHBondContact OD1-N 3.35Å; D55-S57 PolarHBondContact OD1-OG 2.82Å; D55-T58 WeakPolarHBondContact CB-OG1 3.34Å; D55-T58 PolarHBondContact O-N 2.02Å; D55-T58 PolarHBondContact OD1-N 3.18Å; D55-T58 PolarHBondContact OD1-OG1 3.46Å; D55-G59 WeakPolarHBondContact O-CA 3.28Å; D55-G59 PolarHBondContact O-N 2.73Å; D55-R60 PolarHBondContact N-O 2.87Å |
| 56 | P | 57 | Low | 68.4 | Low | 107 Ų | 107 | 74.4 Ų | 74.4 | 70% | 0.695 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -23 | -175.6 | -21.1 | 31.4 | 0 | 0 | 0 | 114.3 | I54 | I54-P56 WeakPolarHBondContact O-CD 3.41Š|
| 57 | S | 57.4 | Low | 68.4 | Low | 104 Ų | 104 | 76.8 Ų | 76.8 | 73% | 0.727 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -32.3 | -176.5 | 70.2 | 0 | 0 | 0 | 0 | 112.6 | D55 | D55-S57 PolarHBondContact O-N 3.27Å; D55-S57 WeakPolarHBondContact OD1-CA 3.29Å; D55-S57 WeakPolarHBondContact OD1-CB 3.4Å; D55-S57 PolarHBondContact OD1-N 3.35Å; D55-S57 PolarHBondContact OD1-OG 2.82Å |
| 58 | T | 67.2 | Low | 68.6 | Low | 86 Ų | 86 | 77.4 Ų | 77.4 | 53% | 0.528 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | -18.7 | -177.7 | 66 | 0 | 0 | 0 | 0 | 113.8 | D55 R60 | D55-T58 WeakPolarHBondContact CB-OG1 3.34Å; D55-T58 PolarHBondContact O-N 2.02Å; D55-T58 PolarHBondContact OD1-N 3.18Å; D55-T58 PolarHBondContact OD1-OG1 3.46Å; T58-R60 PolarHBondContact O-N 3.29Å; T58-R60 PolarHBondContact OG1-N 2.04Å |
| 59 | G | 58.3 | Low | 69.6 | Low | 55 Ų | 55 | 79.4 Ų | 79.4 | 57% | 0.567 | 47% | 0.47 | S | S | * | . | trans | 68.1 | 11.5 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114 | I54 D55 | I54-G59 VanDerWaalsContact CG2-C 3.48Å; I54-G59 WeakPolarHBondContact CG2-O 3.45Å; D55-G59 WeakPolarHBondContact O-CA 3.28Å; D55-G59 PolarHBondContact O-N 2.73Å | ||
| 60 | R | 67.9 | Low | 70.4 | Confident | 184 Ų | 184 | 72.9 Ų | 72.9 | 69% | 0.694 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -106 | 154.5 | -177.8 | -58.9 | -179 | 82.9 | 179.1 | 4.7 | 111.1 | D55 T58 M62 | D55-R60 PolarHBondContact N-O 2.87Å; T58-R60 PolarHBondContact O-N 3.29Å; T58-R60 PolarHBondContact OG1-N 2.04Å; R60-M62 PolarHBondContact O-N 2.91Å |
| 61 | A | 71.8 | Confident | 70.8 | Confident | 19 Ų | 19 | 72 Ų | 72 | 16% | 0.157 | 43% | 0.434 | C | S | . | . | B | Isolated β-bridge | trans | -60.9 | 126.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | V45 A52 Y53 I54 Q63 Y85 | V45-A61 HydrophobicContact CG1-CB 4.17Å; A52-A61 HydrophobicContact CB-CB 3.93Å; Y53-A61 CarbonylContact O-C 3.58Å; Y53-A61 WeakPolarHBondContact O-CA 3.44Å; I54-A61 HydrophobicContact CD1-CB 4.17Å; A61-Q63 PolarHBondContact O-N 2.83Å; A61-Y85 HydrophobicContact CB-CD1 3.84Å; A61-Y85 HydrophobicContact CB-CE1 4.1Å |
| 62 | M | 78.1 | Confident | 70.6 | Confident | 46 Ų | 46 | 73.6 Ų | 73.6 | 23% | 0.227 | 45% | 0.447 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 121.6 | -178.3 | -176 | 179.4 | -158.5 | 0 | 0 | 110.4 | Y53 R60 I68 P71 Y85 C86 | Y53-M62 HydrophobicContact CD1-CB 3.61Å; Y53-M62 HydrophobicContact CD1-CG 4.28Å; Y53-M62 HydrophobicContact CD1-SD 3.66Å; Y53-M62 HydrophobicContact CE1-CB 4.36Å; Y53-M62 HydrophobicContact CE1-SD 3.79Å; Y53-M62 PolarHBondContact O-N 2.76Å; R60-M62 PolarHBondContact O-N 2.91Å; M62-I68 HydrophobicContact CE-CG2 3.87Å; M62-P71 HydrophobicContact SD-CG 3.95Å; M62-Y85 WeakPolarHBondContact O-CA 3.01Å; M62-C86 HydrophobicContact CB-CB 4.48Å; M62-C86 PolarHBondContact O-N 3.27Å |
| 63 | Q | 83.6 | Confident | 70.2 | Confident | 99 Ų | 99 | 74.7 Ų | 74.7 | 46% | 0.463 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 142.8 | 174.3 | -63.3 | 176.6 | 44 | 0 | 0 | 109.4 | A61 I83 S84 Y85 | A61-Q63 PolarHBondContact O-N 2.83Å; Q63-I83 HydrophobicContact CB-CG2 4.3Å; Q63-I83 HydrophobicContact CG-CG2 3.7Å; Q63-S84 CarbonylContact C-O 3.57Å; Q63-S84 VanDerWaalsContact CA-O 3.26Å; Q63-S84 WeakPolarHBondContact CA-O 3.36Å; Q63-Y85 HydrophobicContact CG-CD1 3.85Å; Q63-Y85 HydrophobicContact CG-CE1 3.52Å |
| 64 | C | 82.9 | Confident | 70.2 | Confident | 8 Ų | 8 | 73.3 Ų | 73.3 | 5% | 0.054 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 146.5 | 175.6 | 57.1 | 0 | 0 | 0 | 0 | 110.6 | C76 S84 Y85 | C64-C76 HydrophobicContact CB-CB 3.76Å; C64-C76 WeakPolarHBondContact CB-SG 3.43Å; C64-C76 WeakPolarHBondContact SG-CA 3.36Å; C64-C76 WeakPolarHBondContact SG-CB 3.3Å; C64-C76 CovalentContact SG-SG 2.02Å; C64-C76 PolarHBondContact SG-SG 2.76Å; C64-S84 PolarHBondContact N-O 3Å; C64-S84 WeakPolarHBondContact O-CB 2.99Å; C64-S84 WeakPolarHBondContact SG-CB 3.47Å; C64-Y85 PolarHBondContact SG-N 2.72Å; C64-Y85 VanDerWaalsContact SG-N 3.41Å; C64-Y85 PolarHBondContact SG-O 3.1Å |
| 65 | S | 79.6 | Confident | 70.7 | Confident | 63 Ų | 63 | 73.5 Ų | 73.5 | 44% | 0.441 | 46% | 0.462 | S | S | . | . | trans | -151.1 | 167.9 | -179 | 59.4 | 0 | 0 | 0 | 0 | 108.5 | G67 I68 | S65-G67 VanDerWaalsContact C-N 3.33Å; S65-G67 PolarHBondContact O-N 3.26Å; S65-I68 PolarHBondContact O-N 2.51Å | ||
| 66 | P | 68.4 | Low | 71.6 | Confident | 143 Ų | 143 | 75 Ų | 75 | 93% | 0.929 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | 93.9 | 174.6 | -18 | 30.9 | 0 | 0 | 0 | 110.1 | ||
| 67 | G | 67.9 | Low | 72.6 | Confident | 76 Ų | 76 | 71.4 Ų | 71.4 | 78% | 0.784 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 134.4 | -25.2 | -173 | 0 | 0 | 0 | 0 | 0 | 114.3 | S65 | S65-G67 VanDerWaalsContact C-N 3.33Å; S65-G67 PolarHBondContact O-N 3.26Å |
| 68 | I | 72.5 | Confident | 73.4 | Confident | 78 Ų | 78 | 71 Ų | 71 | 40% | 0.4 | 44% | 0.444 | S | S | . | . | trans | -102.7 | 107 | 173.9 | -60.2 | -177 | 0 | 0 | 0 | 108.9 | M62 S65 | M62-I68 HydrophobicContact CE-CG2 3.87Å; S65-I68 PolarHBondContact O-N 2.51Å | ||
| 69 | V | 77.8 | Confident | 73.5 | Confident | 130 Ų | 130 | 67.8 Ų | 67.8 | 79% | 0.788 | 43% | 0.425 | S | S | * | . | P | Polyproline II helix | trans | -82.8 | 128.2 | 178.3 | -174.1 | 0 | 0 | 0 | 0 | 109.3 | ||
| 70 | C | 76.4 | Confident | 73.9 | Confident | 20 Ų | 20 | 69.9 Ų | 69.9 | 14% | 0.135 | 44% | 0.437 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 146.3 | 175.9 | -69.5 | 0 | 0 | 0 | 0 | 112.1 | Y74 C86 | C70-Y74 WeakPolarHBondContact CB-O 3.03Å; C70-C86 WeakPolarHBondContact CA-SG 3.1Å; C70-C86 HydrophobicContact CB-CB 3.71Å; C70-C86 WeakPolarHBondContact CB-SG 3.27Å; C70-C86 WeakPolarHBondContact SG-CA 3.37Å; C70-C86 WeakPolarHBondContact SG-CB 3.47Å; C70-C86 CovalentContact SG-SG 2.04Å; C70-C86 PolarHBondContact SG-SG 3.22Å |
| 71 | P | 74.7 | Confident | 73.8 | Confident | 34 Ų | 34 | 64.9 Ų | 64.9 | 22% | 0.221 | 43% | 0.43 | C | S | . | . | P | Polyproline II helix | trans | -55.7 | 153.4 | 173.4 | -25.3 | 35.4 | 0 | 0 | 0 | 112.1 | Y53 M62 G73 Y74 | Y53-P71 HydrophobicContact CD1-CG 3.88Å; Y53-P71 HydrophobicContact CD2-CB 4.04Å; Y53-P71 HydrophobicContact CD2-CG 3.71Å; Y53-P71 HydrophobicContact CE1-CG 3.77Å; Y53-P71 HydrophobicContact CE2-CB 3.88Å; Y53-P71 HydrophobicContact CE2-CG 3.6Å; Y53-P71 HydrophobicContact CG-CG 3.84Å; M62-P71 HydrophobicContact SD-CG 3.95Å; P71-G73 PolarHBondContact O-N 2.78Å; P71-Y74 HydrophobicContact CB-CD2 4.35Å; P71-Y74 WeakPolarHBondContact O-CB 3.01Å; P71-Y74 PolarHBondContact O-N 2.02Å |
| 72 | T | 65 | Low | 73.7 | Confident | 114 Ų | 114 | 72.8 Ų | 72.8 | 70% | 0.699 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | 128.9 | 179.8 | -50.9 | 0 | 0 | 0 | 0 | 111.3 | ||
| 73 | G | 63.9 | Low | 73.3 | Confident | 34 Ų | 34 | 73.6 Ų | 73.6 | 35% | 0.351 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.9 | -4.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | P71 G88 G135 | P71-G73 PolarHBondContact O-N 2.78Å; G73-G88 VanDerWaalsContact O-CA 3.31Å; G73-G88 WeakPolarHBondContact O-CA 3.33Å; G73-G135 WeakPolarHBondContact CA-O 3.32Å; G73-G135 PolarHBondContact N-O 3.19Å |
| 74 | Y | 72 | Confident | 73.2 | Confident | 30 Ų | 30 | 70.6 Ų | 70.6 | 12% | 0.118 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 139.7 | 174.1 | -66.1 | -101.9 | 0 | 0 | 0 | 110.4 | I51 Y53 C70 P71 C86 G91 | I51-Y74 VanDerWaalsContact O-CE1 3.31Å; I51-Y74 WeakPolarHBondContact O-CE1 3.3Å; Y53-Y74 VanDerWaalsContact CA-CE1 3.48Å; Y53-Y74 HydrophobicContact CD2-CD2 4.06Å; Y53-Y74 HydrophobicContact CD2-CE1 4.35Å; Y53-Y74 AromaticContact CD2-CE2 3.75Å; Y53-Y74 HydrophobicContact CD2-CE2 3.75Å; Y53-Y74 AromaticContact CD2-CZ 3.9Å; Y53-Y74 HydrophobicContact CG-CE1 4.47Å; Y53-Y74 VanDerWaalsContact N-CE1 3.32Å; C70-Y74 WeakPolarHBondContact CB-O 3.03Å; P71-Y74 HydrophobicContact CB-CD2 4.35Å; P71-Y74 WeakPolarHBondContact O-CB 3.01Å; P71-Y74 PolarHBondContact O-N 2.02Å; Y74-C86 WeakPolarHBondContact CD1-O 3.23Å; Y74-G91 PolarHBondContact OH-N 2.03Å |
| 75 | S | 77.8 | Confident | 73.2 | Confident | 77 Ų | 77 | 71.7 Ų | 71.7 | 54% | 0.538 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 144.5 | 174.3 | -63.7 | 0 | 0 | 0 | 0 | 109.6 | I77 C87 | S75-I77 PolarHBondContact O-N 3.11Å; S75-C87 PolarHBondContact N-O 2.8Å; S75-C87 PolarHBondContact O-N 3.15Å; S75-C87 VanDerWaalsContact O-O 3.11Å |
| 76 | C | 82.8 | Confident | 73.2 | Confident | 67 Ų | 67 | 68.7 Ų | 68.7 | 45% | 0.453 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 115.3 | 174.2 | -175.7 | 0 | 0 | 0 | 0 | 109.2 | C64 | C64-C76 HydrophobicContact CB-CB 3.76Å; C64-C76 WeakPolarHBondContact CB-SG 3.43Å; C64-C76 WeakPolarHBondContact SG-CA 3.36Å; C64-C76 WeakPolarHBondContact SG-CB 3.3Å; C64-C76 CovalentContact SG-SG 2.02Å; C64-C76 PolarHBondContact SG-SG 2.76Å |
| 77 | I | 78.6 | Confident | 73.7 | Confident | 32 Ų | 32 | 62 Ų | 62 | 16% | 0.164 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 129 | -177.5 | -57.7 | -173.7 | 0 | 0 | 0 | 109.6 | P47 L50 S75 S79 S84 Y85 C87 | P47-I77 HydrophobicContact CG-CD1 4.29Å; P47-I77 HydrophobicContact CG-CG2 3.87Å; L50-I77 HydrophobicContact CD1-CD1 3.32Å; S75-I77 PolarHBondContact O-N 3.11Å; I77-S79 PolarHBondContact O-N 3Å; I77-S84 CarbonylContact O-C 3.53Å; I77-S84 WeakPolarHBondContact O-CA 3.05Å; I77-Y85 PolarHBondContact N-O 3.16Å; I77-Y85 PolarHBondContact O-N 2.97Å; I77-C87 HydrophobicContact CB-CB 4.04Å; I77-C87 HydrophobicContact CD1-CB 3.5Å; I77-C87 HydrophobicContact CG1-CB 3.82Å |
| 78 | P | 74.7 | Confident | 73.8 | Confident | 96 Ų | 96 | 58.4 Ų | 58.4 | 62% | 0.623 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 129.4 | 173.3 | 25.8 | -30.9 | 0 | 0 | 0 | 110.6 | ||
| 79 | S | 68.3 | Low | 73.4 | Confident | 18 Ų | 18 | 59.5 Ų | 59.5 | 13% | 0.126 | 38% | 0.377 | C | S | . | . | trans | -87.1 | 169.4 | 171.7 | 75.1 | 0 | 0 | 0 | 0 | 111.7 | I77 S81 M82 I83 Y85 | I77-S79 PolarHBondContact O-N 3Å; S79-S81 PolarHBondContact O-N 3.36Å; S79-S81 VanDerWaalsContact O-N 3.09Å; S79-S81 PolarHBondContact OG-N 2.85Å; S79-M82 PolarHBondContact O-N 3.31Å; S79-I83 VanDerWaalsContact CB-O 3.27Å; S79-I83 WeakPolarHBondContact CB-O 3.32Å; S79-I83 PolarHBondContact N-O 3Å; S79-I83 PolarHBondContact OG-O 2.99Å; S79-Y85 WeakPolarHBondContact OG-CE2 3.41Å | ||
| 80 | A | 67.1 | Low | 72.1 | Confident | 99 Ų | 99 | 54.5 Ų | 54.5 | 82% | 0.818 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -17.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 81 | S | 65.8 | Low | 70.5 | Confident | 79 Ų | 79 | 56.3 Ų | 56.3 | 55% | 0.552 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | 17.1 | -177.5 | -49 | 0 | 0 | 0 | 0 | 114 | S79 I83 | S79-S81 PolarHBondContact O-N 3.36Å; S79-S81 VanDerWaalsContact O-N 3.09Å; S79-S81 PolarHBondContact OG-N 2.85Å; S81-I83 PolarHBondContact O-N 3.13Å |
| 82 | M | 68.8 | Low | 68.9 | Low | 186 Ų | 186 | 58.1 Ų | 58.1 | 92% | 0.916 | 39% | 0.392 | S | S | * | . | S | Bend | trans | 61.7 | 4.5 | -174.1 | -66.7 | -78.6 | -167.2 | 0 | 0 | 115.3 | S79 | S79-M82 PolarHBondContact O-N 3.31Š|
| 83 | I | 71.3 | Confident | 67.7 | Low | 63 Ų | 63 | 61.5 Ų | 61.5 | 32% | 0.323 | 41% | 0.405 | S | S | . | . | trans | -100.7 | 131.9 | 175 | -59.4 | 169.3 | 0 | 0 | 0 | 107.8 | Q63 S79 S81 Y85 | Q63-I83 HydrophobicContact CB-CG2 4.3Å; Q63-I83 HydrophobicContact CG-CG2 3.7Å; S79-I83 VanDerWaalsContact CB-O 3.27Å; S79-I83 WeakPolarHBondContact CB-O 3.32Å; S79-I83 PolarHBondContact N-O 3Å; S79-I83 PolarHBondContact OG-O 2.99Å; S81-I83 PolarHBondContact O-N 3.13Å; I83-Y85 HydrophobicContact CB-CE2 3.73Å; I83-Y85 HydrophobicContact CG2-CD2 4.18Å; I83-Y85 HydrophobicContact CG2-CE1 4.12Å; I83-Y85 HydrophobicContact CG2-CE2 3.55Å; I83-Y85 WeakPolarHBondContact O-CD2 3.01Å | ||
| 84 | S | 81.8 | Confident | 66.6 | Low | 35 Ų | 35 | 62.5 Ų | 62.5 | 25% | 0.245 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 141.4 | 175.6 | -56.1 | 0 | 0 | 0 | 0 | 110.5 | Q63 C64 I77 | Q63-S84 CarbonylContact C-O 3.57Å; Q63-S84 VanDerWaalsContact CA-O 3.26Å; Q63-S84 WeakPolarHBondContact CA-O 3.36Å; C64-S84 PolarHBondContact N-O 3Å; C64-S84 WeakPolarHBondContact O-CB 2.99Å; C64-S84 WeakPolarHBondContact SG-CB 3.47Å; I77-S84 CarbonylContact O-C 3.53Å; I77-S84 WeakPolarHBondContact O-CA 3.05Å |
| 85 | Y | 81.4 | Confident | 65.5 | Low | 32 Ų | 32 | 63.7 Ų | 63.7 | 13% | 0.125 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 153.1 | -178.3 | -64.8 | -91.5 | 0 | 0 | 0 | 111.3 | V45 A61 M62 Q63 C64 I77 S79 I83 C87 | V45-Y85 HydrophobicContact CG1-CD1 3.73Å; V45-Y85 HydrophobicContact CG1-CD2 3.6Å; V45-Y85 HydrophobicContact CG1-CE1 4.22Å; V45-Y85 HydrophobicContact CG1-CE2 4.09Å; V45-Y85 HydrophobicContact CG1-CG 3.38Å; A61-Y85 HydrophobicContact CB-CD1 3.84Å; A61-Y85 HydrophobicContact CB-CE1 4.1Å; M62-Y85 WeakPolarHBondContact O-CA 3.01Å; Q63-Y85 HydrophobicContact CG-CD1 3.85Å; Q63-Y85 HydrophobicContact CG-CE1 3.52Å; C64-Y85 PolarHBondContact SG-N 2.72Å; C64-Y85 VanDerWaalsContact SG-N 3.41Å; C64-Y85 PolarHBondContact SG-O 3.1Å; I77-Y85 PolarHBondContact N-O 3.16Å; I77-Y85 PolarHBondContact O-N 2.97Å; S79-Y85 WeakPolarHBondContact OG-CE2 3.41Å; I83-Y85 HydrophobicContact CB-CE2 3.73Å; I83-Y85 HydrophobicContact CG2-CD2 4.18Å; I83-Y85 HydrophobicContact CG2-CE1 4.12Å; I83-Y85 HydrophobicContact CG2-CE2 3.55Å; I83-Y85 WeakPolarHBondContact O-CD2 3.01Å; Y85-C87 PolarHBondContact O-N 3.03Å |
| 86 | C | 80.2 | Confident | 64.4 | Low | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 105.8 | 172.3 | -66 | 0 | 0 | 0 | 0 | 109.8 | A52 Y53 M62 C70 Y74 | A52-C86 CarbonylContact C-O 3.44Å; A52-C86 WeakPolarHBondContact CA-O 3.26Å; Y53-C86 PolarHBondContact N-O 2.98Å; M62-C86 HydrophobicContact CB-CB 4.48Å; M62-C86 PolarHBondContact O-N 3.27Å; C70-C86 WeakPolarHBondContact CA-SG 3.1Å; C70-C86 HydrophobicContact CB-CB 3.71Å; C70-C86 WeakPolarHBondContact CB-SG 3.27Å; C70-C86 WeakPolarHBondContact SG-CA 3.37Å; C70-C86 WeakPolarHBondContact SG-CB 3.47Å; C70-C86 CovalentContact SG-SG 2.04Å; C70-C86 PolarHBondContact SG-SG 3.22Å; Y74-C86 WeakPolarHBondContact CD1-O 3.23Å |
| 87 | C | 78.7 | Confident | 63.6 | Low | 1 Ų | 1 | 70.9 Ų | 70.9 | 1% | 0.007 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 124.1 | -176.9 | -66.1 | 0 | 0 | 0 | 0 | 109.9 | C46 L50 I51 S75 I77 Y85 | C46-C87 WeakPolarHBondContact CA-SG 3.11Å; C46-C87 HydrophobicContact CB-CB 3.77Å; C46-C87 WeakPolarHBondContact CB-SG 3.41Å; C46-C87 VanDerWaalsContact SG-CA 3.55Å; C46-C87 WeakPolarHBondContact SG-CB 3.05Å; C46-C87 CovalentContact SG-SG 2.02Å; C46-C87 PolarHBondContact SG-SG 2.86Å; L50-C87 HydrophobicContact CB-CB 4.27Å; L50-C87 HydrophobicContact CD1-CB 4.49Å; I51-C87 WeakPolarHBondContact O-CA 3.43Å; S75-C87 PolarHBondContact N-O 2.8Å; S75-C87 PolarHBondContact O-N 3.15Å; S75-C87 VanDerWaalsContact O-O 3.11Å; I77-C87 HydrophobicContact CB-CB 4.04Å; I77-C87 HydrophobicContact CD1-CB 3.5Å; I77-C87 HydrophobicContact CG1-CB 3.82Å; Y85-C87 PolarHBondContact O-N 3.03Å |
| 88 | G | 70.7 | Confident | 63.2 | Low | 2 Ų | 2 | 69.9 Ų | 69.9 | 2% | 0.021 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 160.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | I51 G73 G90 | I51-G88 PolarHBondContact N-O 2.83Å; I51-G88 PolarHBondContact O-N 3.42Å; G73-G88 VanDerWaalsContact O-CA 3.31Å; G73-G88 WeakPolarHBondContact O-CA 3.33Å; G88-G90 PolarHBondContact O-N 3.35Å |
| 89 | S | 64.6 | Low | 62.9 | Low | 100 Ų | 100 | 68.8 Ų | 68.8 | 70% | 0.699 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -70.5 | 82.4 | 166.4 | -59.8 | 0 | 0 | 0 | 0 | 108.2 | G91 | S89-G91 PolarHBondContact O-N 3.47Š|
| 90 | G | 50.3 | Low | 62.7 | Low | 26 Ų | 26 | 71.7 Ų | 71.7 | 27% | 0.268 | 45% | 0.445 | S | S | . | . | trans | 33.1 | 73.5 | 166.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | G88 A92 | G88-G90 PolarHBondContact O-N 3.35Å; G90-A92 PolarHBondContact O-N 3.21Å | ||
| 91 | G | 43 | Very low | 62.5 | Low | 58 Ų | 58 | 73.1 Ų | 73.1 | 60% | 0.598 | 45% | 0.447 | S | S | * | . | trans | -73.7 | 45.3 | 165.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y74 S89 | Y74-G91 PolarHBondContact OH-N 2.03Å; S89-G91 PolarHBondContact O-N 3.47Å | ||
| 92 | A | 40.1 | Very low | 62.3 | Low | 72 Ų | 72 | 72.5 Ų | 72.5 | 60% | 0.595 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -155 | 102.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | G90 | G90-A92 PolarHBondContact O-N 3.21Š|
| 93 | L | 39.3 | Very low | 62.6 | Low | 184 Ų | 184 | 65.4 Ų | 65.4 | 96% | 0.963 | 42% | 0.417 | S | S | * | . | S | Bend | trans | 70.4 | 39.1 | 162.3 | -58.1 | 166.5 | 0 | 0 | 0 | 118.3 | ||
| 94 | G | 40.7 | Very low | 62.8 | Low | 55 Ų | 55 | 67.5 Ų | 67.5 | 57% | 0.567 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -140.5 | 37.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 95 | G | 48.8 | Very low | 62.8 | Low | 55 Ų | 55 | 66.5 Ų | 66.5 | 57% | 0.567 | 42% | 0.418 | S | S | * | . | trans | 72.7 | 119 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | R97 | G95-R97 WeakPolarHBondContact O-CG 3.34Å; G95-R97 PolarHBondContact O-N 3.34Å | ||
| 96 | Q | 56.6 | Low | 62.7 | Low | 92 Ų | 92 | 67.4 Ų | 67.4 | 43% | 0.43 | 42% | 0.422 | S | S | . | . | trans | -56.4 | 105.6 | 164.9 | -83.8 | 158.3 | -66 | 0 | 0 | 107.4 | P105 P114 L139 | Q96-P105 HydrophobicContact CB-CG 4.39Å; Q96-P105 WeakPolarHBondContact O-CG 3.49Å; Q96-P114 HydrophobicContact CB-CG 3.98Å; Q96-P114 HydrophobicContact CG-CG 4.22Å; Q96-L139 HydrophobicContact CB-CD1 3.61Å; Q96-L139 HydrophobicContact CG-CD1 3.8Å | ||
| 97 | R | 64.3 | Low | 62.8 | Low | 204 Ų | 204 | 72.3 Ų | 72.3 | 77% | 0.77 | 44% | 0.441 | S | S | * | . | trans | -95.9 | 137.6 | -179.2 | -68.4 | -166.5 | -174.5 | -153.9 | 0.1 | 109.2 | G95 | G95-R97 WeakPolarHBondContact O-CG 3.34Å; G95-R97 PolarHBondContact O-N 3.34Å | ||
| 98 | C | 71.3 | Confident | 62.8 | Low | 11 Ų | 11 | 73.5 Ų | 73.5 | 7% | 0.074 | 45% | 0.448 | C | S | . | . | trans | -65.8 | 143.1 | 168.2 | -62.1 | 0 | 0 | 0 | 0 | 109.2 | F100 H103 Q104 P105 C141 | C98-F100 PolarHBondContact O-N 2.04Å; C98-H103 HydrophobicContact CB-CB 3.47Å; C98-H103 VanDerWaalsContact CB-CB 3.47Å; C98-H103 WeakPolarHBondContact CB-O 3.37Å; C98-Q104 PolarHBondContact SG-O 2.94Å; C98-P105 VanDerWaalsContact SG-N 3.37Å; C98-C141 WeakPolarHBondContact CA-SG 3.33Å; C98-C141 HydrophobicContact CB-CB 3.63Å; C98-C141 WeakPolarHBondContact CB-SG 3.38Å; C98-C141 WeakPolarHBondContact SG-CA 3.39Å; C98-C141 WeakPolarHBondContact SG-CB 3.17Å; C98-C141 CovalentContact SG-SG 2.02Å; C98-C141 PolarHBondContact SG-SG 3.45Å | ||
| 99 | P | 67.6 | Low | 63.1 | Low | 72 Ų | 72 | 78.9 Ų | 78.9 | 47% | 0.468 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -68.8 | -3.7 | -176.9 | 28.5 | -36.8 | 0 | 0 | 0 | 113.3 | H132 | P99-H132 HydrophobicContact CG-CB 4.24Š|
| 100 | F | 64.2 | Low | 63.5 | Low | 79 Ų | 79 | 78.5 Ų | 78.5 | 35% | 0.346 | 50% | 0.495 | S | S | . | . | S | Bend | trans | -108.9 | 135.3 | -179.3 | -56.5 | -77.5 | 0 | 0 | 0 | 111 | C98 G102 H103 H132 | C98-F100 PolarHBondContact O-N 2.04Å; F100-G102 PolarHBondContact O-N 3.08Å; F100-H103 HydrophobicContact CB-CB 4.2Å; F100-H103 PolarHBondContact O-N 3.45Å; F100-H132 AromaticContact CD2-CD2 3.95Å; F100-H132 AromaticContact CD2-NE2 3.95Å; F100-H132 HydrophobicContact CE2-CB 4.3Å; F100-H132 AromaticContact CE2-CD2 3.66Å; F100-H132 AromaticContact CE2-CE1 3.39Å; F100-H132 WeakPolarHBondContact CE2-CE1 3.31Å; F100-H132 AromaticContact CE2-CG 3.58Å; F100-H132 AromaticContact CE2-ND1 3.43Å; F100-H132 WeakPolarHBondContact CE2-ND1 3.25Å; F100-H132 AromaticContact CE2-NE2 3.53Å; F100-H132 AromaticContact CZ-CE1 3.95Å |
| 101 | P | 63.2 | Low | 64.6 | Low | 130 Ų | 130 | 81.8 Ų | 81.8 | 84% | 0.844 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | 132.6 | 170.7 | -21.6 | 31.8 | 0 | 0 | 0 | 111.1 | H103 | P101-H103 VanDerWaalsContact C-N 3.29Å; P101-H103 PolarHBondContact O-N 2.8Å |
| 102 | G | 62.7 | Low | 65.9 | Low | 66 Ų | 66 | 84.5 Ų | 84.5 | 68% | 0.68 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.7 | -6.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 116 | F100 | F100-G102 PolarHBondContact O-N 3.08Š|
| 103 | H | 73.4 | Confident | 67.2 | Low | 37 Ų | 37 | 84.9 Ų | 84.9 | 17% | 0.171 | 51% | 0.51 | C | S | . | . | trans | -87.7 | 137.2 | 171.5 | -75.7 | -126.9 | 0 | 0 | 0 | 110.5 | C98 F100 P101 G142 | C98-H103 HydrophobicContact CB-CB 3.47Å; C98-H103 VanDerWaalsContact CB-CB 3.47Å; C98-H103 WeakPolarHBondContact CB-O 3.37Å; F100-H103 HydrophobicContact CB-CB 4.2Å; F100-H103 PolarHBondContact O-N 3.45Å; P101-H103 VanDerWaalsContact C-N 3.29Å; P101-H103 PolarHBondContact O-N 2.8Å; H103-G142 CarbonylContact C-O 3.43Å; H103-G142 WeakPolarHBondContact CA-O 2.99Å | ||
| 104 | Q | 76.1 | Confident | 69 | Low | 107 Ų | 107 | 76.5 Ų | 76.5 | 50% | 0.5 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 150.3 | 172.4 | -64.9 | -172 | -10.2 | 0 | 0 | 109.9 | C98 Y129 G142 A144 | C98-Q104 PolarHBondContact SG-O 2.94Å; Q104-Y129 VanDerWaalsContact O-CE1 3.31Å; Q104-Y129 WeakPolarHBondContact O-CE1 3.28Å; Q104-G142 PolarHBondContact N-O 3.27Å; Q104-G142 PolarHBondContact O-N 3.13Å; Q104-A144 HydrophobicContact CB-CB 3.95Å; Q104-A144 HydrophobicContact CG-CB 4.37Å |
| 105 | P | 81.3 | Confident | 71.1 | Confident | 13 Ų | 13 | 76.6 Ų | 76.6 | 8% | 0.084 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 149.5 | 170.8 | -17.9 | 29.8 | 0 | 0 | 0 | 111.4 | Q96 C98 Y107 P114 C140 | Q96-P105 HydrophobicContact CB-CG 4.39Å; Q96-P105 WeakPolarHBondContact O-CG 3.49Å; C98-P105 VanDerWaalsContact SG-N 3.37Å; P105-Y107 HydrophobicContact CB-CE2 3.91Å; P105-Y107 HydrophobicContact CG-CE2 4.25Å; P105-Y107 WeakPolarHBondContact O-CD2 3.43Å; P105-P114 HydrophobicContact CB-CB 3.39Å; P105-P114 HydrophobicContact CB-CG 4.17Å; P105-P114 HydrophobicContact CG-CB 4.4Å; P105-C140 CarbonylContact C-O 3.51Å; P105-C140 WeakPolarHBondContact CA-O 3.42Å |
| 106 | Y | 80.9 | Confident | 72.8 | Confident | 52 Ų | 52 | 78.1 Ų | 78.1 | 20% | 0.204 | 46% | 0.455 | C | S | . | . | trans | -79.4 | 125.9 | 169 | -179.8 | -113.2 | 0 | 0 | 0 | 109.8 | P108 P114 Q115 P126 Y129 C140 | Y106-P108 HydrophobicContact CD1-CG 4.21Å; Y106-P108 HydrophobicContact CE1-CB 4.09Å; Y106-P108 HydrophobicContact CE1-CG 3.92Å; Y106-P114 CarbonylContact O-C 3.58Å; Y106-P114 WeakPolarHBondContact O-CA 3.44Å; Y106-P114 WeakPolarHBondContact O-CB 2.95Å; Y106-Q115 HydrophobicContact CD1-CB 3.71Å; Y106-Q115 HydrophobicContact CD1-CG 4.5Å; Y106-Q115 HydrophobicContact CE1-CB 4.48Å; Y106-Q115 PolarHBondContact O-N 2.02Å; Y106-P126 HydrophobicContact CD1-CG 3.63Å; Y106-P126 HydrophobicContact CD2-CG 3.47Å; Y106-P126 VanDerWaalsContact CD2-CG 3.47Å; Y106-P126 HydrophobicContact CE1-CG 3.69Å; Y106-P126 HydrophobicContact CE2-CB 4.23Å; Y106-P126 HydrophobicContact CE2-CG 3.54Å; Y106-P126 HydrophobicContact CG-CG 3.51Å; Y106-Y129 VanDerWaalsContact CA-CE1 3.41Å; Y106-Y129 VanDerWaalsContact CB-CD1 3.43Å; Y106-Y129 HydrophobicContact CD2-CD2 4.03Å; Y106-Y129 HydrophobicContact CD2-CE1 4.24Å; Y106-Y129 AromaticContact CD2-CE2 3.72Å; Y106-Y129 HydrophobicContact CD2-CE2 3.72Å; Y106-Y129 HydrophobicContact CD2-CG 4.41Å; Y106-Y129 AromaticContact CD2-CZ 3.81Å; Y106-Y129 HydrophobicContact CG-CD1 4.38Å; Y106-Y129 HydrophobicContact CG-CD2 4.46Å; Y106-Y129 HydrophobicContact CG-CE1 4.38Å; Y106-Y129 HydrophobicContact CG-CE2 4.46Å; Y106-Y129 HydrophobicContact CG-CG 4.4Å; Y106-Y129 VanDerWaalsContact N-CE1 3.32Å; Y106-C140 PolarHBondContact N-O 3.01Å | ||
| 107 | Y | 81.8 | Confident | 74.2 | Confident | 103 Ų | 103 | 74.1 Ų | 74.1 | 40% | 0.404 | 44% | 0.437 | S | S | . | . | trans | -105.4 | 114.4 | 170.2 | -66.7 | -93 | 0 | 0 | 0 | 108.2 | P105 S112 P114 | P105-Y107 HydrophobicContact CB-CE2 3.91Å; P105-Y107 HydrophobicContact CG-CE2 4.25Å; P105-Y107 WeakPolarHBondContact O-CD2 3.43Å; Y107-S112 WeakPolarHBondContact CE1-O 3.29Å; Y107-P114 HydrophobicContact CD1-CB 4.31Å; Y107-P114 HydrophobicContact CE1-CB 4.04Å; Y107-P114 HydrophobicContact CE1-CG 4.3Å | ||
| 108 | P | 78.4 | Confident | 75 | Confident | 25 Ų | 25 | 70 Ų | 70 | 16% | 0.162 | 43% | 0.427 | C | S | . | . | trans | -59.3 | 147.6 | 173.7 | -18.2 | 29.1 | 0 | 0 | 0 | 110.7 | Y106 G110 L111 T113 Q115 | Y106-P108 HydrophobicContact CD1-CG 4.21Å; Y106-P108 HydrophobicContact CE1-CB 4.09Å; Y106-P108 HydrophobicContact CE1-CG 3.92Å; P108-G110 PolarHBondContact O-N 3.38Å; P108-L111 HydrophobicContact CB-CB 4.32Å; P108-L111 HydrophobicContact CB-CD1 3.74Å; P108-L111 HydrophobicContact CG-CB 4.4Å; P108-L111 HydrophobicContact CG-CD1 4.23Å; P108-L111 PolarHBondContact O-N 2.88Å; P108-T113 WeakPolarHBondContact CD-O 3.29Å; P108-Q115 HydrophobicContact CG-CB 3.97Å; P108-Q115 HydrophobicContact CG-CG 4.47Å | ||
| 109 | P | 76 | Confident | 75 | Confident | 116 Ų | 116 | 72.4 Ų | 72.4 | 75% | 0.753 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | 124.7 | 175.3 | -24.7 | 33.3 | 0 | 0 | 0 | 111.3 | ||
| 110 | G | 73.5 | Confident | 75 | Confident | 91 Ų | 91 | 76.7 Ų | 76.7 | 94% | 0.938 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.6 | -1.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | P108 | P108-G110 PolarHBondContact O-N 3.38Š|
| 111 | L | 74.7 | Confident | 75.5 | Confident | 96 Ų | 96 | 77.1 Ų | 77.1 | 50% | 0.503 | 47% | 0.466 | S | S | . | . | trans | -110.2 | 132.6 | 175.1 | -75.9 | 112.8 | 0 | 0 | 0 | 111.7 | P108 T113 | P108-L111 HydrophobicContact CB-CB 4.32Å; P108-L111 HydrophobicContact CB-CD1 3.74Å; P108-L111 HydrophobicContact CG-CB 4.4Å; P108-L111 HydrophobicContact CG-CD1 4.23Å; P108-L111 PolarHBondContact O-N 2.88Å; L111-T113 VanDerWaalsContact C-N 3.26Å | ||
| 112 | S | 70 | Confident | 75.9 | Confident | 115 Ų | 115 | 75.7 Ų | 75.7 | 80% | 0.804 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -82.8 | -4.7 | 173.2 | 55.4 | 0 | 0 | 0 | 0 | 113.1 | Y107 | Y107-S112 WeakPolarHBondContact CE1-O 3.29Š|
| 113 | T | 67.6 | Low | 76.4 | Confident | 79 Ų | 79 | 80.2 Ų | 80.2 | 49% | 0.485 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -105.6 | 137.8 | 178.3 | 54.3 | 0 | 0 | 0 | 0 | 110.3 | P108 L111 | P108-T113 WeakPolarHBondContact CD-O 3.29Å; L111-T113 VanDerWaalsContact C-N 3.26Å |
| 114 | P | 76.5 | Confident | 76.8 | Confident | 9 Ų | 9 | 80.8 Ų | 80.8 | 6% | 0.058 | 47% | 0.468 | C | S | . | . | P | Polyproline II helix | trans | -72.9 | 149.2 | 177.4 | 31.2 | -33.7 | 0 | 0 | 0 | 111 | Q96 P105 Y106 Y107 S116 L139 | Q96-P114 HydrophobicContact CB-CG 3.98Å; Q96-P114 HydrophobicContact CG-CG 4.22Å; P105-P114 HydrophobicContact CB-CB 3.39Å; P105-P114 HydrophobicContact CB-CG 4.17Å; P105-P114 HydrophobicContact CG-CB 4.4Å; Y106-P114 CarbonylContact O-C 3.58Å; Y106-P114 WeakPolarHBondContact O-CA 3.44Å; Y106-P114 WeakPolarHBondContact O-CB 2.95Å; Y107-P114 HydrophobicContact CD1-CB 4.31Å; Y107-P114 HydrophobicContact CE1-CB 4.04Å; Y107-P114 HydrophobicContact CE1-CG 4.3Å; P114-S116 PolarHBondContact O-N 3.23Å; P114-L139 HydrophobicContact CB-CD2 4.29Å; P114-L139 HydrophobicContact CG-CD1 4.41Å; P114-L139 HydrophobicContact CG-CD2 3.95Å |
| 115 | Q | 83.7 | Confident | 77.2 | Confident | 56 Ų | 56 | 76.8 Ų | 76.8 | 26% | 0.262 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 119.8 | -176.8 | -169.1 | 179.4 | -35.7 | 0 | 0 | 110.8 | Y106 P108 Q124 C140 | Y106-Q115 HydrophobicContact CD1-CB 3.71Å; Y106-Q115 HydrophobicContact CD1-CG 4.5Å; Y106-Q115 HydrophobicContact CE1-CB 4.48Å; Y106-Q115 PolarHBondContact O-N 2.02Å; P108-Q115 HydrophobicContact CG-CB 3.97Å; P108-Q115 HydrophobicContact CG-CG 4.47Å; Q115-Q124 PolarHBondContact NE2-O 3.28Å; Q115-C140 HydrophobicContact CB-CB 4.33Å; Q115-C140 PolarHBondContact O-N 2.76Å |
| 116 | S | 85.2 | Confident | 77.3 | Confident | 88 Ų | 88 | 78 Ų | 78 | 62% | 0.615 | 46% | 0.46 | S | S | * | . | B | Isolated β-bridge | trans | -74.5 | 154.4 | 168.1 | 57.3 | 0 | 0 | 0 | 0 | 110.8 | P114 F138 | P114-S116 PolarHBondContact O-N 3.23Å; S116-F138 VanDerWaalsContact CA-O 3.27Å; S116-F138 WeakPolarHBondContact CA-O 3.32Å |
| 117 | C | 85.2 | Confident | 77 | Confident | 8 Ų | 8 | 86.8 Ų | 86.8 | 5% | 0.054 | 49% | 0.492 | C | S | . | . | trans | -140.2 | 163.4 | 177.1 | 58.4 | 0 | 0 | 0 | 0 | 109 | Q124 C131 F138 | C117-Q124 HydrophobicContact CB-CB 4.32Å; C117-C131 HydrophobicContact CB-CB 3.69Å; C117-C131 WeakPolarHBondContact CB-SG 3.23Å; C117-C131 WeakPolarHBondContact SG-CA 2.94Å; C117-C131 WeakPolarHBondContact SG-CB 2.84Å; C117-C131 CovalentContact SG-SG 2.02Å; C117-C131 PolarHBondContact SG-SG 2.83Å; C117-F138 PolarHBondContact N-O 2.73Å; C117-F138 WeakPolarHBondContact O-CB 3Å; C117-F138 VanDerWaalsContact SG-C 3.53Å | ||
| 118 | Q | 82.2 | Confident | 76.4 | Confident | 118 Ų | 118 | 85.9 Ų | 85.9 | 55% | 0.551 | 50% | 0.495 | S | S | * | . | trans | -107.2 | 141.1 | 174.5 | -66.9 | 178.9 | -71.1 | 0 | 0 | 110.6 | N120 I121 Q124 | Q118-N120 PolarHBondContact O-N 2.76Å; Q118-I121 HydrophobicContact CB-CD1 3.97Å; Q118-I121 HydrophobicContact CB-CG1 4.4Å; Q118-Q124 PolarHBondContact O-NE2 3.04Å | ||
| 119 | P | 71.9 | Confident | 76.5 | Confident | 61 Ų | 61 | 86.5 Ų | 86.5 | 40% | 0.396 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | 138.5 | 168.4 | 28 | -33.6 | 0 | 0 | 0 | 109.1 | F138 | P119-F138 HydrophobicContact CB-CD1 4.34Å; P119-F138 HydrophobicContact CB-CE1 3.77Å; P119-F138 HydrophobicContact CB-CZ 3.88Å; P119-F138 HydrophobicContact CG-CD1 4.41Å; P119-F138 HydrophobicContact CG-CD2 4.27Å; P119-F138 HydrophobicContact CG-CE1 3.89Å; P119-F138 HydrophobicContact CG-CE2 3.74Å; P119-F138 HydrophobicContact CG-CZ 3.53Å |
| 120 | N | 66.9 | Low | 76.7 | Confident | 162 Ų | 162 | 84.4 Ų | 84.4 | 87% | 0.866 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.8 | 0.8 | 176.6 | -46.7 | -60.3 | 0 | 0 | 0 | 118.6 | Q118 | Q118-N120 PolarHBondContact O-N 2.76Š|
| 121 | I | 74.2 | Confident | 77.2 | Confident | 87 Ų | 87 | 82 Ų | 82 | 45% | 0.446 | 44% | 0.44 | S | S | . | . | trans | -102.1 | 114.4 | 171.2 | -51.1 | 172.3 | 0 | 0 | 0 | 109.3 | Q118 Q124 | Q118-I121 HydrophobicContact CB-CD1 3.97Å; Q118-I121 HydrophobicContact CB-CG1 4.4Å; I121-Q124 HydrophobicContact CB-CG 4Å; I121-Q124 VanDerWaalsContact CB-NE2 3.32Å; I121-Q124 HydrophobicContact CG2-CG 3.79Å; I121-Q124 PolarHBondContact O-NE2 2.97Å | ||
| 122 | P | 71.4 | Confident | 77.4 | Confident | 100 Ų | 100 | 79.3 Ų | 79.3 | 65% | 0.649 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | 156.6 | 178.4 | 28.6 | -33 | 0 | 0 | 0 | 111 | Q124 | P122-Q124 VanDerWaalsContact C-N 3.25Å; P122-Q124 PolarHBondContact O-N 3.47Å; P122-Q124 VanDerWaalsContact O-N 3.15Å |
| 123 | N | 73 | Confident | 77.4 | Confident | 162 Ų | 162 | 78 Ų | 78 | 87% | 0.866 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.8 | 17.3 | 172.3 | -53.8 | -29.5 | 0 | 0 | 0 | 117 | ||
| 124 | Q | 83.1 | Confident | 77.3 | Confident | 48 Ų | 48 | 75.8 Ų | 75.8 | 22% | 0.224 | 40% | 0.395 | C | S | . | . | trans | -69.2 | -38.6 | 171.4 | -69.7 | 172.3 | 90.8 | 0 | 0 | 112.1 | Q115 C117 Q118 I121 P122 | Q115-Q124 PolarHBondContact NE2-O 3.28Å; C117-Q124 HydrophobicContact CB-CB 4.32Å; Q118-Q124 PolarHBondContact O-NE2 3.04Å; I121-Q124 HydrophobicContact CB-CG 4Å; I121-Q124 VanDerWaalsContact CB-NE2 3.32Å; I121-Q124 HydrophobicContact CG2-CG 3.79Å; I121-Q124 PolarHBondContact O-NE2 2.97Å; P122-Q124 VanDerWaalsContact C-N 3.25Å; P122-Q124 PolarHBondContact O-N 3.47Å; P122-Q124 VanDerWaalsContact O-N 3.15Å | ||
| 125 | C | 82.7 | Confident | 76.5 | Confident | 24 Ų | 24 | 77.4 Ų | 77.4 | 16% | 0.162 | 41% | 0.413 | C | S | . | . | S | Bend | trans | -88.2 | 145.1 | -178 | -60.1 | 0 | 0 | 0 | 0 | 111.4 | Y129 C140 | C125-Y129 WeakPolarHBondContact CB-O 3.01Å; C125-C140 WeakPolarHBondContact CA-SG 3.46Å; C125-C140 HydrophobicContact CB-CB 3.73Å; C125-C140 WeakPolarHBondContact CB-SG 3.03Å; C125-C140 WeakPolarHBondContact SG-CA 3.39Å; C125-C140 WeakPolarHBondContact SG-CB 3.25Å; C125-C140 CovalentContact SG-SG 2.04Å; C125-C140 PolarHBondContact SG-SG 3.07Å |
| 126 | P | 83.3 | Confident | 75.3 | Confident | 39 Ų | 39 | 78 Ų | 78 | 25% | 0.253 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 168.9 | 175.6 | 28.5 | -36.1 | 0 | 0 | 0 | 111.6 | Y106 N128 Y129 | Y106-P126 HydrophobicContact CD1-CG 3.63Å; Y106-P126 HydrophobicContact CD2-CG 3.47Å; Y106-P126 VanDerWaalsContact CD2-CG 3.47Å; Y106-P126 HydrophobicContact CE1-CG 3.69Å; Y106-P126 HydrophobicContact CE2-CB 4.23Å; Y106-P126 HydrophobicContact CE2-CG 3.54Å; Y106-P126 HydrophobicContact CG-CG 3.51Å; P126-N128 PolarHBondContact O-N 2.96Å; P126-Y129 HydrophobicContact CG-CD2 3.79Å; P126-Y129 HydrophobicContact CG-CG 4.13Å; P126-Y129 PolarHBondContact O-N 3.15Å |
| 127 | R | 74.5 | Confident | 74.4 | Confident | 235 Ų | 235 | 75.2 Ų | 75.2 | 89% | 0.887 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | 134.9 | 176.4 | -72.6 | -172.5 | 172.6 | -169.9 | -0.5 | 110.4 | Y129 | R127-Y129 VanDerWaalsContact C-N 3.3Å; R127-Y129 PolarHBondContact O-N 3.24Å |
| 128 | N | 71.2 | Confident | 74.1 | Confident | 85 Ų | 85 | 78.1 Ų | 78.1 | 46% | 0.455 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73 | 5.1 | -176.5 | -52.1 | -41.5 | 0 | 0 | 0 | 116.8 | P126 G142 | P126-N128 PolarHBondContact O-N 2.96Å; N128-G142 WeakPolarHBondContact O-CA 3.39Å |
| 129 | Y | 80.2 | Confident | 74.1 | Confident | 37 Ų | 37 | 72.8 Ų | 72.8 | 15% | 0.145 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 142.5 | 172.3 | -69.4 | -99.1 | 0 | 0 | 0 | 111.2 | Q104 Y106 C125 P126 R127 G142 A144 | Q104-Y129 VanDerWaalsContact O-CE1 3.31Å; Q104-Y129 WeakPolarHBondContact O-CE1 3.28Å; Y106-Y129 VanDerWaalsContact CA-CE1 3.41Å; Y106-Y129 VanDerWaalsContact CB-CD1 3.43Å; Y106-Y129 HydrophobicContact CD2-CD2 4.03Å; Y106-Y129 HydrophobicContact CD2-CE1 4.24Å; Y106-Y129 AromaticContact CD2-CE2 3.72Å; Y106-Y129 HydrophobicContact CD2-CE2 3.72Å; Y106-Y129 HydrophobicContact CD2-CG 4.41Å; Y106-Y129 AromaticContact CD2-CZ 3.81Å; Y106-Y129 HydrophobicContact CG-CD1 4.38Å; Y106-Y129 HydrophobicContact CG-CD2 4.46Å; Y106-Y129 HydrophobicContact CG-CE1 4.38Å; Y106-Y129 HydrophobicContact CG-CE2 4.46Å; Y106-Y129 HydrophobicContact CG-CG 4.4Å; Y106-Y129 VanDerWaalsContact N-CE1 3.32Å; C125-Y129 WeakPolarHBondContact CB-O 3.01Å; P126-Y129 HydrophobicContact CG-CD2 3.79Å; P126-Y129 HydrophobicContact CG-CG 4.13Å; P126-Y129 PolarHBondContact O-N 3.15Å; R127-Y129 VanDerWaalsContact C-N 3.3Å; R127-Y129 PolarHBondContact O-N 3.24Å; Y129-G142 VanDerWaalsContact CD1-CA 3.42Å; Y129-A144 WeakPolarHBondContact OH-CA 3.5Å; Y129-A144 WeakPolarHBondContact OH-CB 3.19Å |
| 130 | Y | 80.1 | Confident | 74.8 | Confident | 72 Ų | 72 | 69.9 Ų | 69.9 | 28% | 0.282 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 145.5 | -178.9 | -62.1 | -81.2 | 0 | 0 | 0 | 110.5 | H132 C141 R174 | Y130-H132 PolarHBondContact O-CD2 3.26Å; Y130-H132 PolarHBondContact O-N 3.35Å; Y130-C141 PolarHBondContact N-O 2.84Å; Y130-C141 PolarHBondContact O-N 3.15Å; Y130-R174 WeakPolarHBondContact OH-CD 3.41Å |
| 131 | C | 83 | Confident | 75.6 | Confident | 42 Ų | 42 | 62.1 Ų | 62.1 | 28% | 0.284 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 113.6 | 176.4 | -169.5 | 0 | 0 | 0 | 0 | 110.2 | C117 | C117-C131 HydrophobicContact CB-CB 3.69Å; C117-C131 WeakPolarHBondContact CB-SG 3.23Å; C117-C131 WeakPolarHBondContact SG-CA 2.94Å; C117-C131 WeakPolarHBondContact SG-CB 2.84Å; C117-C131 CovalentContact SG-SG 2.02Å; C117-C131 PolarHBondContact SG-SG 2.83Å |
| 132 | H | 78.5 | Confident | 75.7 | Confident | 39 Ų | 39 | 58 Ų | 58 | 18% | 0.181 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 140.9 | -178.8 | -72.4 | -54 | 0 | 0 | 0 | 111 | P99 F100 Y130 T134 F138 L139 C141 | P99-H132 HydrophobicContact CG-CB 4.24Å; F100-H132 AromaticContact CD2-CD2 3.95Å; F100-H132 AromaticContact CD2-NE2 3.95Å; F100-H132 HydrophobicContact CE2-CB 4.3Å; F100-H132 AromaticContact CE2-CD2 3.66Å; F100-H132 AromaticContact CE2-CE1 3.39Å; F100-H132 WeakPolarHBondContact CE2-CE1 3.31Å; F100-H132 AromaticContact CE2-CG 3.58Å; F100-H132 AromaticContact CE2-ND1 3.43Å; F100-H132 WeakPolarHBondContact CE2-ND1 3.25Å; F100-H132 AromaticContact CE2-NE2 3.53Å; F100-H132 AromaticContact CZ-CE1 3.95Å; Y130-H132 PolarHBondContact O-CD2 3.26Å; Y130-H132 PolarHBondContact O-N 3.35Å; H132-T134 PolarHBondContact O-N 2.8Å; H132-F138 CarbonylContact O-C 3.53Å; H132-F138 WeakPolarHBondContact O-CA 2.97Å; H132-L139 PolarHBondContact N-O 3.21Å; H132-L139 PolarHBondContact O-N 3.23Å; H132-C141 HydrophobicContact CB-CB 4.07Å |
| 133 | N | 70.2 | Confident | 75.6 | Confident | 88 Ų | 88 | 55.2 Ų | 55.2 | 47% | 0.471 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 120.5 | 172.1 | -172 | -43.9 | 0 | 0 | 0 | 108.8 | G135 G137 F138 | N133-G135 PolarHBondContact OD1-N 3.3Å; N133-G137 WeakPolarHBondContact CA-O 3.4Å; N133-F138 HydrophobicContact CB-CD1 3.98Å; N133-F138 HydrophobicContact CB-CE1 3.73Å; N133-F138 HydrophobicContact CB-CZ 4.31Å |
| 134 | T | 65.3 | Low | 74.8 | Confident | 32 Ų | 32 | 48.8 Ų | 48.8 | 20% | 0.196 | 27% | 0.267 | C | S | . | . | trans | -102.8 | 11.7 | -178.1 | 67.8 | 0 | 0 | 0 | 0 | 112.8 | H132 A136 G137 L139 | H132-T134 PolarHBondContact O-N 2.8Å; T134-A136 PolarHBondContact O-N 2.92Å; T134-G137 PolarHBondContact N-O 2.91Å; T134-G137 PolarHBondContact OG1-O 3.06Å; T134-L139 HydrophobicContact CG2-CB 3.95Å; T134-L139 HydrophobicContact CG2-CD1 3.76Å; T134-L139 HydrophobicContact CG2-CG 4.13Å | ||
| 135 | G | 59.9 | Low | 73.5 | Confident | 42 Ų | 42 | 51.8 Ų | 51.8 | 43% | 0.433 | 28% | 0.277 | S | S | . | . | S | Bend | trans | 77.4 | -31.7 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | G73 N133 | G73-G135 WeakPolarHBondContact CA-O 3.32Å; G73-G135 PolarHBondContact N-O 3.19Å; N133-G135 PolarHBondContact OD1-N 3.3Å |
| 136 | A | 59.3 | Low | 71.8 | Confident | 68 Ų | 68 | 56.6 Ų | 56.6 | 56% | 0.562 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -95 | -5.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | T134 | T134-A136 PolarHBondContact O-N 2.92Š|
| 137 | G | 66.2 | Low | 69.8 | Low | 30 Ų | 30 | 57.5 Ų | 57.5 | 31% | 0.309 | 32% | 0.324 | S | S | . | . | S | Bend | trans | 155.2 | -169 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | N133 T134 | N133-G137 WeakPolarHBondContact CA-O 3.4Å; T134-G137 PolarHBondContact N-O 2.91Å; T134-G137 PolarHBondContact OG1-O 3.06Å |
| 138 | F | 78.9 | Confident | 68 | Low | 69 Ų | 69 | 55.3 Ų | 55.3 | 30% | 0.303 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 123.1 | 175.4 | -73 | -88.5 | 0 | 0 | 0 | 108.8 | S116 C117 P119 H132 N133 | S116-F138 VanDerWaalsContact CA-O 3.27Å; S116-F138 WeakPolarHBondContact CA-O 3.32Å; C117-F138 PolarHBondContact N-O 2.73Å; C117-F138 WeakPolarHBondContact O-CB 3Å; C117-F138 VanDerWaalsContact SG-C 3.53Å; P119-F138 HydrophobicContact CB-CD1 4.34Å; P119-F138 HydrophobicContact CB-CE1 3.77Å; P119-F138 HydrophobicContact CB-CZ 3.88Å; P119-F138 HydrophobicContact CG-CD1 4.41Å; P119-F138 HydrophobicContact CG-CD2 4.27Å; P119-F138 HydrophobicContact CG-CE1 3.89Å; P119-F138 HydrophobicContact CG-CE2 3.74Å; P119-F138 HydrophobicContact CG-CZ 3.53Å; H132-F138 CarbonylContact O-C 3.53Å; H132-F138 WeakPolarHBondContact O-CA 2.97Å; N133-F138 HydrophobicContact CB-CD1 3.98Å; N133-F138 HydrophobicContact CB-CE1 3.73Å; N133-F138 HydrophobicContact CB-CZ 4.31Å |
| 139 | L | 82.5 | Confident | 66.5 | Low | 6 Ų | 6 | 53.1 Ų | 53.1 | 3% | 0.031 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 146.3 | -176.4 | -66.7 | 170.8 | 0 | 0 | 0 | 111 | Q96 P114 H132 T134 C141 | Q96-L139 HydrophobicContact CB-CD1 3.61Å; Q96-L139 HydrophobicContact CG-CD1 3.8Å; P114-L139 HydrophobicContact CB-CD2 4.29Å; P114-L139 HydrophobicContact CG-CD1 4.41Å; P114-L139 HydrophobicContact CG-CD2 3.95Å; H132-L139 PolarHBondContact N-O 3.21Å; H132-L139 PolarHBondContact O-N 3.23Å; T134-L139 HydrophobicContact CG2-CB 3.95Å; T134-L139 HydrophobicContact CG2-CD1 3.76Å; T134-L139 HydrophobicContact CG2-CG 4.13Å; L139-C141 PolarHBondContact O-N 3.3Å |
| 140 | C | 85.6 | Confident | 64.9 | Low | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 109.1 | 168.2 | -69.3 | 0 | 0 | 0 | 0 | 109 | P105 Y106 Q115 C125 | P105-C140 CarbonylContact C-O 3.51Å; P105-C140 WeakPolarHBondContact CA-O 3.42Å; Y106-C140 PolarHBondContact N-O 3.01Å; Q115-C140 HydrophobicContact CB-CB 4.33Å; Q115-C140 PolarHBondContact O-N 2.76Å; C125-C140 WeakPolarHBondContact CA-SG 3.46Å; C125-C140 HydrophobicContact CB-CB 3.73Å; C125-C140 WeakPolarHBondContact CB-SG 3.03Å; C125-C140 WeakPolarHBondContact SG-CA 3.39Å; C125-C140 WeakPolarHBondContact SG-CB 3.25Å; C125-C140 CovalentContact SG-SG 2.04Å; C125-C140 PolarHBondContact SG-SG 3.07Å |
| 141 | C | 83.4 | Confident | 63.3 | Low | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 126.8 | -172.2 | -90 | 0 | 0 | 0 | 0 | 109.8 | C98 Y130 H132 L139 | C98-C141 WeakPolarHBondContact CA-SG 3.33Å; C98-C141 HydrophobicContact CB-CB 3.63Å; C98-C141 WeakPolarHBondContact CB-SG 3.38Å; C98-C141 WeakPolarHBondContact SG-CA 3.39Å; C98-C141 WeakPolarHBondContact SG-CB 3.17Å; C98-C141 CovalentContact SG-SG 2.02Å; C98-C141 PolarHBondContact SG-SG 3.45Å; Y130-C141 PolarHBondContact N-O 2.84Å; Y130-C141 PolarHBondContact O-N 3.15Å; H132-C141 HydrophobicContact CB-CB 4.07Å; L139-C141 PolarHBondContact O-N 3.3Å |
| 142 | G | 77 | Confident | 61.9 | Low | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.1 | 174.7 | -169 | 0 | 0 | 0 | 0 | 0 | 111.6 | H103 Q104 N128 Y129 A144 | H103-G142 CarbonylContact C-O 3.43Å; H103-G142 WeakPolarHBondContact CA-O 2.99Å; Q104-G142 PolarHBondContact N-O 3.27Å; Q104-G142 PolarHBondContact O-N 3.13Å; N128-G142 WeakPolarHBondContact O-CA 3.39Å; Y129-G142 VanDerWaalsContact CD1-CA 3.42Å; G142-A144 PolarHBondContact O-N 2.7Å |
| 143 | I | 68.9 | Low | 60.8 | Low | 42 Ų | 42 | 63.6 Ų | 63.6 | 22% | 0.215 | 41% | 0.405 | C | S | . | . | trans | -87.8 | 97.9 | 178.1 | -59.7 | 168.6 | 0 | 0 | 0 | 105.7 | R145 D194 | I143-R145 HydrophobicContact CG2-CG 4.26Å; I143-R145 PolarHBondContact O-N 2.71Å; I143-D194 HydrophobicContact CD1-CB 4.26Å; I143-D194 WeakPolarHBondContact CD1-OD1 3.41Å | ||
| 144 | A | 57.5 | Low | 60.3 | Low | 27 Ų | 27 | 59.8 Ų | 59.8 | 22% | 0.223 | 39% | 0.386 | C | S | . | . | trans | -63.8 | 104.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 107 | Q104 Y129 G142 P146 | Q104-A144 HydrophobicContact CB-CB 3.95Å; Q104-A144 HydrophobicContact CG-CB 4.37Å; Y129-A144 WeakPolarHBondContact OH-CA 3.5Å; Y129-A144 WeakPolarHBondContact OH-CB 3.19Å; G142-A144 PolarHBondContact O-N 2.7Å; A144-P146 WeakPolarHBondContact O-CD 3.2Å | ||
| 145 | R | 54.4 | Low | 60.7 | Low | 111 Ų | 111 | 67.2 Ų | 67.2 | 42% | 0.419 | 41% | 0.41 | S | S | . | . | trans | -94.5 | 95.1 | 164.6 | -69.5 | -171.1 | -175.2 | -137.2 | -2.4 | 108 | I143 G147 G149 G151 T152 D194 | I143-R145 HydrophobicContact CG2-CG 4.26Å; I143-R145 PolarHBondContact O-N 2.71Å; R145-G147 PolarHBondContact O-N 3.07Å; R145-G149 PolarHBondContact NH1-O 3.3Å; R145-G151 VanDerWaalsContact NH1-CA 3.32Å; R145-T152 PolarHBondContact NH2-OG1 3.02Å; R145-D194 IonicContact NH2-OD1 2.97Å | ||
| 146 | P | 47.9 | Very low | 61.3 | Low | 124 Ų | 124 | 66 Ų | 66 | 81% | 0.805 | 39% | 0.394 | S | S | * | . | trans | -76 | 105 | 152.4 | 29.7 | -25.8 | 0 | 0 | 0 | 106.8 | A144 | A144-P146 WeakPolarHBondContact O-CD 3.2Š| ||
| 147 | G | 42.5 | Very low | 61.8 | Low | 59 Ų | 59 | 66 Ų | 66 | 61% | 0.608 | 39% | 0.389 | S | S | * | . | S | Bend | trans | 128.8 | 129.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | R145 G149 | R145-G147 PolarHBondContact O-N 3.07Å; G147-G149 PolarHBondContact O-N 3.07Å |
| 148 | I | 34.8 | Very low | 61.7 | Low | 189 Ų | 189 | 69.4 Ų | 69.4 | 97% | 0.969 | 39% | 0.393 | S | S | * | . | trans | -61 | 98.8 | 171.8 | -63 | 163.3 | 0 | 0 | 0 | 108 | ||||
| 149 | G | 40.4 | Very low | 60.9 | Low | 39 Ų | 39 | 72.2 Ų | 72.2 | 40% | 0.402 | 42% | 0.418 | S | S | . | . | trans | -145.4 | 132.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | R145 G147 G151 | R145-G149 PolarHBondContact NH1-O 3.3Å; G147-G149 PolarHBondContact O-N 3.07Å; G149-G151 PolarHBondContact O-N 3.33Å | ||
| 150 | P | 46.2 | Very low | 60 | Low | 131 Ų | 131 | 75.6 Ų | 75.6 | 85% | 0.851 | 44% | 0.442 | S | S | * | . | trans | -58 | 127.6 | -173.7 | 23.3 | -30.3 | 0 | 0 | 0 | 109.3 | T152 | P150-T152 PolarHBondContact O-N 2.79Š| ||
| 151 | G | 47.8 | Very low | 59.4 | Low | 39 Ų | 39 | 76.2 Ų | 76.2 | 40% | 0.402 | 45% | 0.445 | S | S | . | . | trans | -36.4 | 121.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | R145 G149 M153 | R145-G151 VanDerWaalsContact NH1-CA 3.32Å; G149-G151 PolarHBondContact O-N 3.33Å; G151-M153 WeakPolarHBondContact O-CG 3.36Å; G151-M153 PolarHBondContact O-N 3Å | ||
| 152 | T | 52.8 | Low | 59.3 | Low | 103 Ų | 103 | 85.2 Ų | 85.2 | 63% | 0.632 | 48% | 0.479 | S | S | * | . | trans | -56.3 | 88.6 | 143.4 | 38.9 | 0 | 0 | 0 | 0 | 105.9 | R145 P150 A154 | R145-T152 PolarHBondContact NH2-OG1 3.02Å; P150-T152 PolarHBondContact O-N 2.79Å; T152-A154 PolarHBondContact O-N 3.48Å | ||
| 153 | M | 55.7 | Low | 59.5 | Low | 136 Ų | 136 | 87.3 Ų | 87.3 | 67% | 0.67 | 49% | 0.493 | S | S | * | . | trans | -52.3 | 127.2 | -177.8 | -52 | 174.7 | -176.8 | 0 | 0 | 106.2 | G151 R155 | G151-M153 WeakPolarHBondContact O-CG 3.36Å; G151-M153 PolarHBondContact O-N 3Å; M153-R155 WeakPolarHBondContact O-CG 3.03Å; M153-R155 PolarHBondContact O-N 3.33Å | ||
| 154 | A | 60.4 | Low | 60.2 | Low | 8 Ų | 8 | 88 Ų | 88 | 7% | 0.066 | 49% | 0.493 | C | S | . | . | trans | -57.1 | 118.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | T152 P172 G192 D194 I197 | T152-A154 PolarHBondContact O-N 3.48Å; A154-P172 HydrophobicContact CB-CG 3.84Å; A154-G192 WeakPolarHBondContact CA-O 3.19Å; A154-D194 HydrophobicContact CB-CB 4.22Å; A154-I197 HydrophobicContact CB-CD1 3.97Å; A154-I197 HydrophobicContact CB-CG2 3.67Å | ||
| 155 | R | 73.2 | Confident | 61.4 | Low | 189 Ų | 189 | 89.7 Ų | 89.7 | 71% | 0.713 | 50% | 0.5 | S | S | * | . | trans | -110.2 | 139.9 | -176 | -78.3 | 174.1 | -172 | -138.1 | 1.6 | 108.1 | M153 G192 | M153-R155 WeakPolarHBondContact O-CG 3.03Å; M153-R155 PolarHBondContact O-N 3.33Å; R155-G192 PolarHBondContact N-O 2.88Å; R155-G192 VanDerWaalsContact N-O 3.15Å; R155-G192 CarbonylContact O-C 3.58Å; R155-G192 WeakPolarHBondContact O-CA 3.42Å | ||
| 156 | C | 73.1 | Confident | 62.5 | Low | 15 Ų | 15 | 91.1 Ų | 91.1 | 10% | 0.101 | 51% | 0.506 | C | S | . | . | trans | -57.5 | 140.9 | 173.6 | -68.4 | 0 | 0 | 0 | 0 | 110.2 | Y158 Q161 P163 C199 | C156-Y158 PolarHBondContact O-N 2.7Å; C156-Y158 VanDerWaalsContact O-N 3.1Å; C156-Q161 HydrophobicContact CB-CB 3.49Å; C156-Q161 VanDerWaalsContact CB-CB 3.49Å; C156-P163 VanDerWaalsContact SG-CA 3.54Å; C156-C199 WeakPolarHBondContact CA-SG 3.27Å; C156-C199 HydrophobicContact CB-CB 3.81Å; C156-C199 WeakPolarHBondContact CB-SG 3.01Å; C156-C199 WeakPolarHBondContact SG-CA 3.43Å; C156-C199 WeakPolarHBondContact SG-CB 3.12Å; C156-C199 CovalentContact SG-SG 2.03Å; C156-C199 PolarHBondContact SG-SG 2.87Å | ||
| 157 | P | 67.9 | Low | 63.9 | Low | 68 Ų | 68 | 90.6 Ų | 90.6 | 44% | 0.442 | 50% | 0.502 | S | S | . | . | S | Bend | trans | -64.4 | -19.4 | -174.9 | 25 | -32.9 | 0 | 0 | 0 | 112.2 | L190 N191 | P157-L190 HydrophobicContact CG-CB 3.9Å; P157-L190 HydrophobicContact CG-CD1 4.01Å; P157-N191 WeakPolarHBondContact CD-O 2.92Å |
| 158 | Y | 65 | Low | 65.3 | Low | 103 Ų | 103 | 92.1 Ų | 92.1 | 40% | 0.404 | 52% | 0.518 | S | S | . | . | S | Bend | trans | -102.8 | 131.9 | 176.5 | -58.7 | -73.7 | 0 | 0 | 0 | 110.9 | C156 S160 Q161 L190 | C156-Y158 PolarHBondContact O-N 2.7Å; C156-Y158 VanDerWaalsContact O-N 3.1Å; Y158-S160 PolarHBondContact O-N 2.04Å; Y158-S160 VanDerWaalsContact O-N 3.16Å; Y158-Q161 HydrophobicContact CD2-CG 4.4Å; Y158-Q161 VanDerWaalsContact CD2-OE1 3.24Å; Y158-Q161 PolarHBondContact O-N 2.77Å; Y158-L190 HydrophobicContact CD2-CD1 4.06Å; Y158-L190 HydrophobicContact CE2-CD1 4.02Å |
| 159 | P | 62.4 | Low | 67.1 | Low | 128 Ų | 128 | 86.3 Ų | 86.3 | 83% | 0.831 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -26.2 | -179.2 | -21.8 | 30.8 | 0 | 0 | 0 | 114.3 | Q161 | P159-Q161 VanDerWaalsContact C-N 3.34Š|
| 160 | S | 63.4 | Low | 68.7 | Low | 76 Ų | 76 | 91.1 Ų | 91.1 | 53% | 0.531 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -7.1 | 180 | 56.4 | 0 | 0 | 0 | 0 | 113.7 | Y158 Q202 | Y158-S160 PolarHBondContact O-N 2.04Å; Y158-S160 VanDerWaalsContact O-N 3.16Å; S160-Q202 PolarHBondContact OG-OE1 2.76Å |
| 161 | Q | 72.6 | Confident | 69.8 | Low | 13 Ų | 13 | 90.4 Ų | 90.4 | 6% | 0.061 | 50% | 0.5 | C | S | . | . | P | Polyproline II helix | trans | -95.4 | 133.3 | -177.5 | -77 | -174.2 | -31.4 | 0 | 0 | 111.8 | C156 Y158 P159 L190 C199 E200 Q202 | C156-Q161 HydrophobicContact CB-CB 3.49Å; C156-Q161 VanDerWaalsContact CB-CB 3.49Å; Y158-Q161 HydrophobicContact CD2-CG 4.4Å; Y158-Q161 VanDerWaalsContact CD2-OE1 3.24Å; Y158-Q161 PolarHBondContact O-N 2.77Å; P159-Q161 VanDerWaalsContact C-N 3.34Å; Q161-L190 VanDerWaalsContact NE2-CD1 3.26Å; Q161-C199 HydrophobicContact CB-CB 4.46Å; Q161-E200 VanDerWaalsContact CD-O 3.31Å; Q161-E200 VanDerWaalsContact CG-O 3.28Å; Q161-E200 WeakPolarHBondContact CG-O 3.23Å; Q161-E200 PolarHBondContact NE2-O 2.03Å; Q161-Q202 HydrophobicContact CG-CG 4Å |
| 162 | R | 80.9 | Confident | 71.2 | Confident | 190 Ų | 190 | 89.5 Ų | 89.5 | 72% | 0.717 | 49% | 0.487 | S | S | * | . | P | Polyproline II helix | trans | -91.1 | 134.9 | 168.1 | -66.6 | -178.6 | 176.3 | -119.8 | -0.3 | 109.9 | E200 | R162-E200 WeakPolarHBondContact O-CB 3.43Å; R162-E200 PolarHBondContact O-N 3.04Å |
| 163 | P | 82.4 | Confident | 72.7 | Confident | 44 Ų | 44 | 86 Ų | 86 | 29% | 0.286 | 46% | 0.463 | S | S | . | . | B | Isolated β-bridge | trans | -66.9 | 143.1 | 169.3 | 25.8 | -30.5 | 0 | 0 | 0 | 110.2 | C156 V165 P172 I197 C198 | C156-P163 VanDerWaalsContact SG-CA 3.54Å; P163-V165 PolarHBondContact O-N 3.43Å; P163-P172 HydrophobicContact CB-CB 3.67Å; P163-P172 HydrophobicContact CG-CB 4.47Å; P163-I197 HydrophobicContact CB-CD1 4.23Å; P163-C198 CarbonylContact C-O 3.56Å; P163-C198 WeakPolarHBondContact CA-O 3.43Å |
| 164 | Y | 84.1 | Confident | 73.9 | Confident | 56 Ų | 56 | 82.4 Ų | 82.4 | 22% | 0.22 | 44% | 0.442 | C | S | . | . | P | Polyproline II helix | trans | -69.5 | 117.8 | 167 | -176.3 | -111.4 | 0 | 0 | 0 | 108.5 | R166 P172 Q173 P184 Y187 C198 | Y164-R166 HydrophobicContact CE1-CB 4.25Å; Y164-P172 CarbonylContact O-C 3.45Å; Y164-P172 WeakPolarHBondContact O-CA 3.36Å; Y164-Q173 HydrophobicContact CD1-CB 3.65Å; Y164-Q173 HydrophobicContact CD1-CG 4.33Å; Y164-Q173 HydrophobicContact CE1-CB 4.36Å; Y164-Q173 PolarHBondContact O-N 3.31Å; Y164-P184 HydrophobicContact CD1-CG 3.74Å; Y164-P184 HydrophobicContact CD2-CG 3.61Å; Y164-P184 HydrophobicContact CE1-CG 3.81Å; Y164-P184 HydrophobicContact CE2-CB 4.41Å; Y164-P184 HydrophobicContact CE2-CG 3.67Å; Y164-P184 HydrophobicContact CG-CG 3.64Å; Y164-Y187 VanDerWaalsContact CB-CD1 3.46Å; Y164-Y187 VanDerWaalsContact CB-CE1 3.46Å; Y164-Y187 HydrophobicContact CD2-CD2 4.18Å; Y164-Y187 HydrophobicContact CD2-CE1 4.14Å; Y164-Y187 AromaticContact CD2-CE2 3.75Å; Y164-Y187 HydrophobicContact CD2-CE2 3.75Å; Y164-Y187 AromaticContact CD2-CZ 3.71Å; Y164-Y187 HydrophobicContact CG-CD1 4.38Å; Y164-Y187 HydrophobicContact CG-CE1 4.28Å; Y164-Y187 HydrophobicContact CG-CE2 4.46Å; Y164-C198 PolarHBondContact N-O 2.76Å |
| 165 | V | 82.4 | Confident | 75 | Confident | 62 Ų | 62 | 82.6 Ų | 82.6 | 38% | 0.376 | 44% | 0.443 | S | S | . | . | B | Isolated β-bridge | trans | -107.6 | 122.9 | 170.7 | -178.6 | 0 | 0 | 0 | 0 | 106.8 | P163 T169 | P163-V165 PolarHBondContact O-N 3.43Å; V165-T169 WeakPolarHBondContact CG1-O 3.34Å |
| 166 | R | 77.2 | Confident | 75.2 | Confident | 142 Ų | 142 | 78.9 Ų | 78.9 | 54% | 0.536 | 43% | 0.434 | S | S | . | . | trans | -67.3 | 138.1 | -179.8 | -171.1 | 176.8 | -73.8 | -141.4 | 0 | 108.7 | Y164 G168 T169 Q173 | Y164-R166 HydrophobicContact CE1-CB 4.25Å; R166-G168 PolarHBondContact O-N 3.28Å; R166-T169 HydrophobicContact CB-CG2 4.32Å; R166-T169 PolarHBondContact N-OG1 3.27Å; R166-T169 PolarHBondContact O-N 2.01Å; R166-T169 PolarHBondContact O-OG1 3.48Å; R166-Q173 VanDerWaalsContact NE-OE1 3.08Å | ||
| 167 | P | 76.8 | Confident | 75 | Confident | 113 Ų | 113 | 81.9 Ų | 81.9 | 73% | 0.734 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | 129.1 | 174.4 | -26.1 | 34.5 | 0 | 0 | 0 | 110.9 | ||
| 168 | G | 71.6 | Confident | 74.8 | Confident | 91 Ų | 91 | 85.1 Ų | 85.1 | 94% | 0.938 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.3 | -0.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | R166 | R166-G168 PolarHBondContact O-N 3.28Š|
| 169 | T | 73.6 | Confident | 74.8 | Confident | 67 Ų | 67 | 83.4 Ų | 83.4 | 41% | 0.411 | 47% | 0.469 | S | S | . | . | trans | -118 | 153.9 | 173.1 | 67.5 | 0 | 0 | 0 | 0 | 110.6 | V165 R166 M171 | V165-T169 WeakPolarHBondContact CG1-O 3.34Å; R166-T169 HydrophobicContact CB-CG2 4.32Å; R166-T169 PolarHBondContact N-OG1 3.27Å; R166-T169 PolarHBondContact O-N 2.01Å; R166-T169 PolarHBondContact O-OG1 3.48Å; T169-M171 PolarHBondContact OG1-O 2.77Å | ||
| 170 | T | 73.5 | Confident | 74.8 | Confident | 140 Ų | 140 | 83.1 Ų | 83.1 | 86% | 0.859 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -101.1 | -2.4 | 171.9 | 52.5 | 0 | 0 | 0 | 0 | 112.6 | ||
| 171 | M | 68.5 | Low | 75.3 | Confident | 115 Ų | 115 | 90.5 Ų | 90.5 | 57% | 0.567 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -109.3 | 144.1 | -174.2 | -66.5 | -171.5 | 77.4 | 0 | 0 | 111.8 | T169 Q173 | T169-M171 PolarHBondContact OG1-O 2.77Å; M171-Q173 PolarHBondContact O-N 3.27Å |
| 172 | P | 78.2 | Confident | 75.5 | Confident | 20 Ų | 20 | 90.7 Ų | 90.7 | 13% | 0.13 | 49% | 0.486 | C | S | . | . | B | Isolated β-bridge | trans | -60.2 | 136.2 | 176 | 27 | -36 | 0 | 0 | 0 | 111.1 | A154 P163 Y164 R174 I197 | A154-P172 HydrophobicContact CB-CG 3.84Å; P163-P172 HydrophobicContact CB-CB 3.67Å; P163-P172 HydrophobicContact CG-CB 4.47Å; Y164-P172 CarbonylContact O-C 3.45Å; Y164-P172 WeakPolarHBondContact O-CA 3.36Å; P172-R174 PolarHBondContact O-N 2.79Å; P172-I197 HydrophobicContact CB-CB 4.23Å; P172-I197 HydrophobicContact CB-CD1 4.17Å; P172-I197 HydrophobicContact CB-CG2 4.01Å; P172-I197 HydrophobicContact CG-CD1 4.5Å; P172-I197 HydrophobicContact CG-CG2 4.07Å |
| 173 | Q | 83.8 | Confident | 75.5 | Confident | 30 Ų | 30 | 82.5 Ų | 82.5 | 14% | 0.14 | 46% | 0.458 | C | S | . | . | P | Polyproline II helix | trans | -64 | 121.1 | 176.6 | -178.7 | 171.3 | -76.2 | 0 | 0 | 109.3 | Y164 R166 M171 S182 I197 C198 | Y164-Q173 HydrophobicContact CD1-CB 3.65Å; Y164-Q173 HydrophobicContact CD1-CG 4.33Å; Y164-Q173 HydrophobicContact CE1-CB 4.36Å; Y164-Q173 PolarHBondContact O-N 3.31Å; R166-Q173 VanDerWaalsContact NE-OE1 3.08Å; M171-Q173 PolarHBondContact O-N 3.27Å; Q173-S182 PolarHBondContact NE2-O 3.34Å; Q173-I197 CarbonylContact O-C 3.58Å; Q173-I197 VanDerWaalsContact O-CA 3.3Å; Q173-I197 WeakPolarHBondContact O-CA 3.26Å; Q173-C198 PolarHBondContact O-N 2.99Å |
| 174 | R | 82 | Confident | 75.6 | Confident | 61 Ų | 61 | 82.1 Ų | 82.1 | 23% | 0.23 | 46% | 0.456 | C | S | . | . | B | Isolated β-bridge | trans | -76.9 | 148.7 | 174.2 | -62.1 | -174.5 | 176.7 | -94.8 | 7.8 | 110.5 | Y130 P172 D194 F196 I197 | Y130-R174 WeakPolarHBondContact OH-CD 3.41Å; P172-R174 PolarHBondContact O-N 2.79Å; R174-D194 IonicContact CZ-OD2 3.63Å; R174-D194 PolarHBondContact NH1-O 2.02Å; R174-D194 IonicContact NH1-OD2 3.79Å; R174-D194 IonicContact NH2-OD2 2.72Å; R174-D194 PolarHBondContact NH2-OD2 3.48Å; R174-F196 CarbonylContact C-O 3.46Å; R174-F196 VanDerWaalsContact CA-O 3.23Å; R174-F196 WeakPolarHBondContact CA-O 3.46Å; R174-I197 HydrophobicContact CG-CG2 4.19Å |
| 175 | C | 81.6 | Confident | 75.1 | Confident | 12 Ų | 12 | 84.4 Ų | 84.4 | 8% | 0.081 | 48% | 0.48 | C | S | . | . | trans | -137 | 160.4 | -173.9 | 62.7 | 0 | 0 | 0 | 0 | 111.7 | C183 C189 F196 I197 C198 | C175-C183 WeakPolarHBondContact CB-SG 2.99Å; C175-C189 VanDerWaalsContact C-SG 3.51Å; C175-C189 HydrophobicContact CB-CB 3.76Å; C175-C189 WeakPolarHBondContact CB-SG 3.33Å; C175-C189 WeakPolarHBondContact SG-CA 3.01Å; C175-C189 WeakPolarHBondContact SG-CB 3.45Å; C175-C189 CovalentContact SG-SG 2.02Å; C175-C189 PolarHBondContact SG-SG 3.41Å; C175-F196 PolarHBondContact N-O 3.5Å; C175-F196 WeakPolarHBondContact O-CB 3.04Å; C175-F196 VanDerWaalsContact SG-C 3.53Å; C175-I197 PolarHBondContact SG-N 3.06Å; C175-I197 PolarHBondContact SG-O 3.02Å; C175-I197 VanDerWaalsContact SG-O 3.38Å; C175-C198 VanDerWaalsContact CB-SG 3.57Å | ||
| 176 | Q | 77.7 | Confident | 74.7 | Confident | 111 Ų | 111 | 85.8 Ų | 85.8 | 52% | 0.519 | 49% | 0.485 | S | S | . | . | trans | -103.8 | 125.1 | 171.2 | -70.1 | 175.8 | -29.6 | 0 | 0 | 108.7 | V178 N179 S182 C189 | Q176-V178 PolarHBondContact O-N 2.94Å; Q176-V178 VanDerWaalsContact O-N 3.07Å; Q176-N179 HydrophobicContact CB-CB 4.17Å; Q176-N179 PolarHBondContact O-N 2.98Å; Q176-S182 PolarHBondContact N-OG 2.8Å; Q176-S182 VanDerWaalsContact N-OG 3.15Å; Q176-S182 PolarHBondContact O-OG 3.42Å; Q176-S182 VanDerWaalsContact O-OG 3.11Å; Q176-C189 VanDerWaalsContact C-SG 3.57Å | ||
| 177 | P | 69.1 | Low | 74.8 | Confident | 78 Ų | 78 | 82 Ų | 82 | 51% | 0.506 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -22.7 | -175.1 | 22.9 | -33.2 | 0 | 0 | 0 | 113.3 | F196 | P177-F196 HydrophobicContact CB-CD1 4.11Å; P177-F196 HydrophobicContact CB-CE1 3.94Å; P177-F196 HydrophobicContact CB-CZ 4.31Å; P177-F196 HydrophobicContact CG-CD1 4.14Å; P177-F196 HydrophobicContact CG-CD2 4.12Å; P177-F196 HydrophobicContact CG-CE1 3.93Å; P177-F196 HydrophobicContact CG-CE2 3.92Å; P177-F196 HydrophobicContact CG-CG 4.24Å; P177-F196 HydrophobicContact CG-CZ 3.83Å |
| 178 | V | 64.1 | Low | 75 | Confident | 136 Ų | 136 | 78.4 Ų | 78.4 | 82% | 0.824 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -21.8 | -179.4 | -171.8 | 0 | 0 | 0 | 0 | 112.3 | Q176 P180 | Q176-V178 PolarHBondContact O-N 2.94Å; Q176-V178 VanDerWaalsContact O-N 3.07Å; V178-P180 WeakPolarHBondContact O-CD 3.39Å |
| 179 | N | 65.6 | Low | 75.4 | Confident | 66 Ų | 66 | 75.6 Ų | 75.6 | 35% | 0.353 | 41% | 0.411 | S | S | . | . | trans | -102.2 | 108.3 | -174.8 | 177.8 | 2.8 | 0 | 0 | 0 | 110.3 | Q176 R181 S182 | Q176-N179 HydrophobicContact CB-CB 4.17Å; Q176-N179 PolarHBondContact O-N 2.98Å; N179-R181 PolarHBondContact O-N 2.75Å; N179-R181 VanDerWaalsContact O-N 3.13Å; N179-R181 WeakPolarHBondContact OD1-CB 3.5Å; N179-R181 PolarHBondContact OD1-N 2.95Å; N179-S182 VanDerWaalsContact CB-OG 3.26Å; N179-S182 WeakPolarHBondContact CB-OG 2.99Å; N179-S182 VanDerWaalsContact O-CB 3.23Å; N179-S182 WeakPolarHBondContact O-CB 3.5Å; N179-S182 PolarHBondContact O-N 2.82Å; N179-S182 PolarHBondContact O-OG 3.19Å | ||
| 180 | P | 62 | Low | 75.7 | Confident | 123 Ų | 123 | 74.2 Ų | 74.2 | 80% | 0.799 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -13.8 | -178 | 26.4 | -33.4 | 0 | 0 | 0 | 113.3 | V178 | V178-P180 WeakPolarHBondContact O-CD 3.39Š|
| 181 | R | 73.3 | Confident | 75.6 | Confident | 230 Ų | 230 | 71.1 Ų | 71.1 | 87% | 0.868 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | 1 | 174.7 | -60.9 | -176.8 | -180 | 176.4 | -0.2 | 113.2 | N179 C183 | N179-R181 PolarHBondContact O-N 2.75Å; N179-R181 VanDerWaalsContact O-N 3.13Å; N179-R181 WeakPolarHBondContact OD1-CB 3.5Å; N179-R181 PolarHBondContact OD1-N 2.95Å; R181-C183 PolarHBondContact O-N 3.18Å |
| 182 | S | 78.1 | Confident | 75.6 | Confident | 17 Ų | 17 | 66.1 Ų | 66.1 | 12% | 0.119 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -68.9 | -22.7 | -178.8 | -56.6 | 0 | 0 | 0 | 0 | 113.3 | Q173 Q176 N179 C198 | Q173-S182 PolarHBondContact NE2-O 3.34Å; Q176-S182 PolarHBondContact N-OG 2.8Å; Q176-S182 VanDerWaalsContact N-OG 3.15Å; Q176-S182 PolarHBondContact O-OG 3.42Å; Q176-S182 VanDerWaalsContact O-OG 3.11Å; N179-S182 VanDerWaalsContact CB-OG 3.26Å; N179-S182 WeakPolarHBondContact CB-OG 2.99Å; N179-S182 VanDerWaalsContact O-CB 3.23Å; N179-S182 WeakPolarHBondContact O-CB 3.5Å; N179-S182 PolarHBondContact O-N 2.82Å; N179-S182 PolarHBondContact O-OG 3.19Å; S182-C198 PolarHBondContact O-SG 2.04Å |
| 183 | C | 81.1 | Confident | 74.8 | Confident | 18 Ų | 18 | 68.7 Ų | 68.7 | 12% | 0.122 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -122 | 145.2 | 179.7 | -65.6 | 0 | 0 | 0 | 0 | 111.3 | C175 R181 Y187 C198 | C175-C183 WeakPolarHBondContact CB-SG 2.99Å; R181-C183 PolarHBondContact O-N 3.18Å; C183-Y187 VanDerWaalsContact CB-O 3.3Å; C183-Y187 WeakPolarHBondContact CB-O 3.38Å; C183-C198 WeakPolarHBondContact CA-SG 3.39Å; C183-C198 HydrophobicContact CB-CB 3.81Å; C183-C198 WeakPolarHBondContact CB-SG 3.25Å; C183-C198 WeakPolarHBondContact SG-CA 3.41Å; C183-C198 WeakPolarHBondContact SG-CB 2.88Å; C183-C198 CovalentContact SG-SG 2.04Å; C183-C198 PolarHBondContact SG-SG 2.92Å |
| 184 | P | 83.5 | Confident | 73.8 | Confident | 37 Ų | 37 | 68.3 Ų | 68.3 | 24% | 0.24 | 39% | 0.386 | C | S | . | . | trans | -62.7 | 164 | 172.4 | 27.1 | -33.1 | 0 | 0 | 0 | 110.9 | Y164 N186 Y187 | Y164-P184 HydrophobicContact CD1-CG 3.74Å; Y164-P184 HydrophobicContact CD2-CG 3.61Å; Y164-P184 HydrophobicContact CE1-CG 3.81Å; Y164-P184 HydrophobicContact CE2-CB 4.41Å; Y164-P184 HydrophobicContact CE2-CG 3.67Å; Y164-P184 HydrophobicContact CG-CG 3.64Å; P184-N186 PolarHBondContact O-N 3.03Å; P184-Y187 HydrophobicContact CB-CD2 4.49Å; P184-Y187 HydrophobicContact CG-CD2 3.68Å; P184-Y187 HydrophobicContact CG-CE2 4.33Å; P184-Y187 HydrophobicContact CG-CG 4.08Å; P184-Y187 PolarHBondContact O-N 3.38Å | ||
| 185 | S | 72.6 | Confident | 73 | Confident | 103 Ų | 103 | 66 Ų | 66 | 72% | 0.72 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | 139.4 | 173 | 50.3 | 0 | 0 | 0 | 0 | 110.6 | Y187 | S185-Y187 VanDerWaalsContact C-N 3.34Š|
| 186 | N | 74.1 | Confident | 72.8 | Confident | 92 Ų | 92 | 68.2 Ų | 68.2 | 49% | 0.492 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.3 | 16.6 | -172.5 | -46.1 | -59.8 | 0 | 0 | 0 | 116.1 | P184 S201 | P184-N186 PolarHBondContact O-N 3.03Å; N186-S201 WeakPolarHBondContact O-CA 3.3Å; N186-S201 WeakPolarHBondContact O-CB 3.19Å; N186-S201 PolarHBondContact O-N 3.4Å |
| 187 | Y | 80.8 | Confident | 73 | Confident | 62 Ų | 62 | 63 Ų | 63 | 24% | 0.243 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 132 | 170.1 | -69.8 | -100.6 | 0 | 0 | 0 | 110.6 | Y164 C183 P184 S185 C198 C199 E200 | Y164-Y187 VanDerWaalsContact CB-CD1 3.46Å; Y164-Y187 VanDerWaalsContact CB-CE1 3.46Å; Y164-Y187 HydrophobicContact CD2-CD2 4.18Å; Y164-Y187 HydrophobicContact CD2-CE1 4.14Å; Y164-Y187 AromaticContact CD2-CE2 3.75Å; Y164-Y187 HydrophobicContact CD2-CE2 3.75Å; Y164-Y187 AromaticContact CD2-CZ 3.71Å; Y164-Y187 HydrophobicContact CG-CD1 4.38Å; Y164-Y187 HydrophobicContact CG-CE1 4.28Å; Y164-Y187 HydrophobicContact CG-CE2 4.46Å; C183-Y187 VanDerWaalsContact CB-O 3.3Å; C183-Y187 WeakPolarHBondContact CB-O 3.38Å; P184-Y187 HydrophobicContact CB-CD2 4.49Å; P184-Y187 HydrophobicContact CG-CD2 3.68Å; P184-Y187 HydrophobicContact CG-CE2 4.33Å; P184-Y187 HydrophobicContact CG-CG 4.08Å; P184-Y187 PolarHBondContact O-N 3.38Å; S185-Y187 VanDerWaalsContact C-N 3.34Å; Y187-C198 HydrophobicContact CD1-CB 4.48Å; Y187-C199 CarbonylContact C-O 3.56Å; Y187-C199 VanDerWaalsContact CA-O 3.24Å; Y187-C199 WeakPolarHBondContact CA-O 2.98Å; Y187-E200 VanDerWaalsContact CD1-CA 3.48Å; Y187-E200 HydrophobicContact CD1-CB 4.29Å; Y187-E200 HydrophobicContact CE1-CB 3.97Å |
| 188 | D | 80.4 | Confident | 73.8 | Confident | 37 Ų | 37 | 59.2 Ų | 59.2 | 20% | 0.198 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 145.5 | 172.4 | -70.1 | -65.2 | 0 | 0 | 0 | 109.4 | L190 C199 S201 R203 | D188-L190 HydrophobicContact CB-CD2 4.33Å; D188-L190 HydrophobicContact CB-CG 4.19Å; D188-L190 PolarHBondContact O-N 3.03Å; D188-C199 PolarHBondContact N-O 2.88Å; D188-C199 PolarHBondContact O-N 3.29Å; D188-S201 VanDerWaalsContact OD2-CA 3.32Å; D188-S201 WeakPolarHBondContact OD2-CA 3.33Å; D188-S201 WeakPolarHBondContact OD2-CB 2.93Å; D188-S201 PolarHBondContact OD2-OG 2.82Å; D188-R203 IonicContact OD1-CZ 3.59Å; D188-R203 IonicContact OD1-NE 3.68Å; D188-R203 PolarHBondContact OD1-NE 3.07Å; D188-R203 IonicContact OD1-NH2 3.4Å; D188-R203 PolarHBondContact OD1-NH2 3.38Å; D188-R203 IonicContact OD2-NE 3.92Å |
| 189 | C | 80 | Confident | 74.7 | Confident | 32 Ų | 32 | 52.8 Ų | 52.8 | 22% | 0.216 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 105.4 | 174.9 | -175.1 | 0 | 0 | 0 | 0 | 110 | C175 Q176 | C175-C189 VanDerWaalsContact C-SG 3.51Å; C175-C189 HydrophobicContact CB-CB 3.76Å; C175-C189 WeakPolarHBondContact CB-SG 3.33Å; C175-C189 WeakPolarHBondContact SG-CA 3.01Å; C175-C189 WeakPolarHBondContact SG-CB 3.45Å; C175-C189 CovalentContact SG-SG 2.02Å; C175-C189 PolarHBondContact SG-SG 3.41Å; Q176-C189 VanDerWaalsContact C-SG 3.57Å |
| 190 | L | 79.4 | Confident | 75.4 | Confident | 39 Ų | 39 | 52.8 Ų | 52.8 | 20% | 0.204 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 153.6 | -174.4 | -62.6 | -177.5 | 0 | 0 | 0 | 111.4 | P157 Y158 Q161 D188 G192 F196 I197 C199 | P157-L190 HydrophobicContact CG-CB 3.9Å; P157-L190 HydrophobicContact CG-CD1 4.01Å; Y158-L190 HydrophobicContact CD2-CD1 4.06Å; Y158-L190 HydrophobicContact CE2-CD1 4.02Å; Q161-L190 VanDerWaalsContact NE2-CD1 3.26Å; D188-L190 HydrophobicContact CB-CD2 4.33Å; D188-L190 HydrophobicContact CB-CG 4.19Å; D188-L190 PolarHBondContact O-N 3.03Å; L190-G192 PolarHBondContact O-N 3.39Å; L190-F196 CarbonylContact O-C 3.56Å; L190-F196 VanDerWaalsContact O-CA 3.31Å; L190-F196 WeakPolarHBondContact O-CA 3.31Å; L190-I197 PolarHBondContact N-O 3.25Å; L190-I197 PolarHBondContact O-N 2.91Å; L190-I197 VanDerWaalsContact O-O 3.1Å; L190-C199 HydrophobicContact CB-CB 4.12Å; L190-C199 HydrophobicContact CD1-CB 3.74Å; L190-C199 HydrophobicContact CG-CB 4.14Å |
| 191 | N | 72.4 | Confident | 75.8 | Confident | 75 Ų | 75 | 47.4 Ų | 47.4 | 40% | 0.401 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 115.3 | 176.5 | -173.6 | -4.7 | 0 | 0 | 0 | 110.1 | P157 G193 F196 | P157-N191 WeakPolarHBondContact CD-O 2.92Å; N191-G193 PolarHBondContact OD1-N 2.9Å; N191-G193 VanDerWaalsContact OD1-N 3.07Å; N191-F196 HydrophobicContact CB-CD1 4.35Å; N191-F196 HydrophobicContact CB-CE1 4.22Å |
| 192 | G | 68.1 | Low | 75.1 | Confident | 9 Ų | 9 | 40.3 Ų | 40.3 | 9% | 0.093 | 24% | 0.241 | C | C | . | . | trans | -96.5 | 22.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | A154 R155 L190 D194 G195 | A154-G192 WeakPolarHBondContact CA-O 3.19Å; R155-G192 PolarHBondContact N-O 2.88Å; R155-G192 VanDerWaalsContact N-O 3.15Å; R155-G192 CarbonylContact O-C 3.58Å; R155-G192 WeakPolarHBondContact O-CA 3.42Å; L190-G192 PolarHBondContact O-N 3.39Å; G192-D194 PolarHBondContact O-N 2.9Å; G192-G195 PolarHBondContact N-O 2.92Å | ||
| 193 | G | 62 | Low | 74 | Confident | 74 Ų | 74 | 46.9 Ų | 46.9 | 76% | 0.763 | 26% | 0.264 | S | S | * | . | S | Bend | trans | 83.3 | -39.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | N191 | N191-G193 PolarHBondContact OD1-N 2.9Å; N191-G193 VanDerWaalsContact OD1-N 3.07Å |
| 194 | D | 61.4 | Low | 72.4 | Confident | 23 Ų | 23 | 53.9 Ų | 53.9 | 12% | 0.123 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -103.9 | 17.9 | 176.9 | -170.1 | 71.6 | 0 | 0 | 0 | 111.6 | I143 R145 A154 R174 G192 | I143-D194 HydrophobicContact CD1-CB 4.26Å; I143-D194 WeakPolarHBondContact CD1-OD1 3.41Å; R145-D194 IonicContact NH2-OD1 2.97Å; A154-D194 HydrophobicContact CB-CB 4.22Å; R174-D194 IonicContact CZ-OD2 3.63Å; R174-D194 PolarHBondContact NH1-O 2.02Å; R174-D194 IonicContact NH1-OD2 3.79Å; R174-D194 IonicContact NH2-OD2 2.72Å; R174-D194 PolarHBondContact NH2-OD2 3.48Å; G192-D194 PolarHBondContact O-N 2.9Å |
| 195 | G | 64.9 | Low | 70.7 | Confident | 11 Ų | 11 | 53.5 Ų | 53.5 | 11% | 0.113 | 30% | 0.295 | C | S | . | . | S | Bend | trans | 125.5 | 179.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | G192 | G192-G195 PolarHBondContact N-O 2.92Š|
| 196 | F | 77.6 | Confident | 69.7 | Low | 60 Ų | 60 | 54 Ų | 54 | 26% | 0.263 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 127.8 | -179.6 | -68.2 | -86.7 | 0 | 0 | 0 | 111.5 | R174 C175 P177 L190 N191 | R174-F196 CarbonylContact C-O 3.46Å; R174-F196 VanDerWaalsContact CA-O 3.23Å; R174-F196 WeakPolarHBondContact CA-O 3.46Å; C175-F196 PolarHBondContact N-O 3.5Å; C175-F196 WeakPolarHBondContact O-CB 3.04Å; C175-F196 VanDerWaalsContact SG-C 3.53Å; P177-F196 HydrophobicContact CB-CD1 4.11Å; P177-F196 HydrophobicContact CB-CE1 3.94Å; P177-F196 HydrophobicContact CB-CZ 4.31Å; P177-F196 HydrophobicContact CG-CD1 4.14Å; P177-F196 HydrophobicContact CG-CD2 4.12Å; P177-F196 HydrophobicContact CG-CE1 3.93Å; P177-F196 HydrophobicContact CG-CE2 3.92Å; P177-F196 HydrophobicContact CG-CG 4.24Å; P177-F196 HydrophobicContact CG-CZ 3.83Å; L190-F196 CarbonylContact O-C 3.56Å; L190-F196 VanDerWaalsContact O-CA 3.31Å; L190-F196 WeakPolarHBondContact O-CA 3.31Å; N191-F196 HydrophobicContact CB-CD1 4.35Å; N191-F196 HydrophobicContact CB-CE1 4.22Å |
| 197 | I | 82.7 | Confident | 68.9 | Low | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 153.7 | 177.6 | 57.8 | 166.3 | 0 | 0 | 0 | 111.1 | A154 P163 P172 Q173 R174 C175 L190 C199 | A154-I197 HydrophobicContact CB-CD1 3.97Å; A154-I197 HydrophobicContact CB-CG2 3.67Å; P163-I197 HydrophobicContact CB-CD1 4.23Å; P172-I197 HydrophobicContact CB-CB 4.23Å; P172-I197 HydrophobicContact CB-CD1 4.17Å; P172-I197 HydrophobicContact CB-CG2 4.01Å; P172-I197 HydrophobicContact CG-CD1 4.5Å; P172-I197 HydrophobicContact CG-CG2 4.07Å; Q173-I197 CarbonylContact O-C 3.58Å; Q173-I197 VanDerWaalsContact O-CA 3.3Å; Q173-I197 WeakPolarHBondContact O-CA 3.26Å; R174-I197 HydrophobicContact CG-CG2 4.19Å; C175-I197 PolarHBondContact SG-N 3.06Å; C175-I197 PolarHBondContact SG-O 3.02Å; C175-I197 VanDerWaalsContact SG-O 3.38Å; L190-I197 PolarHBondContact N-O 3.25Å; L190-I197 PolarHBondContact O-N 2.91Å; L190-I197 VanDerWaalsContact O-O 3.1Å; I197-C199 PolarHBondContact O-N 2.96Å |
| 198 | C | 85.5 | Confident | 68.3 | Low | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 117.9 | 173.6 | -64.6 | 0 | 0 | 0 | 0 | 109.5 | P163 Y164 Q173 C175 S182 C183 Y187 | P163-C198 CarbonylContact C-O 3.56Å; P163-C198 WeakPolarHBondContact CA-O 3.43Å; Y164-C198 PolarHBondContact N-O 2.76Å; Q173-C198 PolarHBondContact O-N 2.99Å; C175-C198 VanDerWaalsContact CB-SG 3.57Å; S182-C198 PolarHBondContact O-SG 2.04Å; C183-C198 WeakPolarHBondContact CA-SG 3.39Å; C183-C198 HydrophobicContact CB-CB 3.81Å; C183-C198 WeakPolarHBondContact CB-SG 3.25Å; C183-C198 WeakPolarHBondContact SG-CA 3.41Å; C183-C198 WeakPolarHBondContact SG-CB 2.88Å; C183-C198 CovalentContact SG-SG 2.04Å; C183-C198 PolarHBondContact SG-SG 2.92Å; Y187-C198 HydrophobicContact CD1-CB 4.48Å |
| 199 | C | 83.2 | Confident | 67.7 | Low | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 140.8 | -178.7 | -75.8 | 0 | 0 | 0 | 0 | 110 | C156 Q161 Y187 D188 L190 I197 S201 | C156-C199 WeakPolarHBondContact CA-SG 3.27Å; C156-C199 HydrophobicContact CB-CB 3.81Å; C156-C199 WeakPolarHBondContact CB-SG 3.01Å; C156-C199 WeakPolarHBondContact SG-CA 3.43Å; C156-C199 WeakPolarHBondContact SG-CB 3.12Å; C156-C199 CovalentContact SG-SG 2.03Å; C156-C199 PolarHBondContact SG-SG 2.87Å; Q161-C199 HydrophobicContact CB-CB 4.46Å; Y187-C199 CarbonylContact C-O 3.56Å; Y187-C199 VanDerWaalsContact CA-O 3.24Å; Y187-C199 WeakPolarHBondContact CA-O 2.98Å; D188-C199 PolarHBondContact N-O 2.88Å; D188-C199 PolarHBondContact O-N 3.29Å; L190-C199 HydrophobicContact CB-CB 4.12Å; L190-C199 HydrophobicContact CD1-CB 3.74Å; L190-C199 HydrophobicContact CG-CB 4.14Å; I197-C199 PolarHBondContact O-N 2.96Å; C199-S201 PolarHBondContact O-N 2.93Å |
| 200 | E | 80.9 | Confident | 67.1 | Low | 66 Ų | 66 | 53.9 Ų | 53.9 | 31% | 0.308 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -51.3 | 116 | -176.7 | -176 | 171.7 | -152.5 | 0 | 0 | 109.6 | Q161 R162 Y187 Q202 | Q161-E200 VanDerWaalsContact CD-O 3.31Å; Q161-E200 VanDerWaalsContact CG-O 3.28Å; Q161-E200 WeakPolarHBondContact CG-O 3.23Å; Q161-E200 PolarHBondContact NE2-O 2.03Å; R162-E200 WeakPolarHBondContact O-CB 3.43Å; R162-E200 PolarHBondContact O-N 3.04Å; Y187-E200 VanDerWaalsContact CD1-CA 3.48Å; Y187-E200 HydrophobicContact CD1-CB 4.29Å; Y187-E200 HydrophobicContact CE1-CB 3.97Å; E200-Q202 PolarHBondContact O-N 3.39Å |
| 201 | S | 69.2 | Low | 66.1 | Low | 10 Ų | 10 | 57.4 Ų | 57.4 | 7% | 0.07 | 32% | 0.324 | C | S | . | . | trans | -59.9 | 116.7 | -173.5 | -176.5 | 0 | 0 | 0 | 0 | 107.6 | N186 D188 C199 R203 K204 | N186-S201 WeakPolarHBondContact O-CA 3.3Å; N186-S201 WeakPolarHBondContact O-CB 3.19Å; N186-S201 PolarHBondContact O-N 3.4Å; D188-S201 VanDerWaalsContact OD2-CA 3.32Å; D188-S201 WeakPolarHBondContact OD2-CA 3.33Å; D188-S201 WeakPolarHBondContact OD2-CB 2.93Å; D188-S201 PolarHBondContact OD2-OG 2.82Å; C199-S201 PolarHBondContact O-N 2.93Å; S201-R203 PolarHBondContact O-N 2.95Å; S201-R203 WeakPolarHBondContact OG-CB 3.41Å; S201-R203 WeakPolarHBondContact OG-CG 3.02Å; S201-R203 PolarHBondContact OG-N 3.19Å; S201-K204 PolarHBondContact O-N 3.46Å | ||
| 202 | Q | 59.5 | Low | 65.3 | Low | 81 Ų | 81 | 55.2 Ų | 55.2 | 38% | 0.379 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -63.8 | 3.5 | 168.7 | -63.5 | -63.1 | -74.5 | 0 | 0 | 110.8 | S160 Q161 E200 K204 G205 | S160-Q202 PolarHBondContact OG-OE1 2.76Å; Q161-Q202 HydrophobicContact CG-CG 4Å; E200-Q202 PolarHBondContact O-N 3.39Å; Q202-K204 PolarHBondContact O-N 3.22Å; Q202-G205 WeakPolarHBondContact O-CA 2.89Å; Q202-G205 PolarHBondContact O-N 3.25Å |
| 203 | R | 54.8 | Low | 65.1 | Low | 156 Ų | 156 | 55.4 Ų | 55.4 | 59% | 0.589 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -67.4 | -12.2 | 173.7 | -59.7 | -175 | -160.6 | -149.8 | 7.6 | 114.6 | D188 S201 G205 L206 | D188-R203 IonicContact OD1-CZ 3.59Å; D188-R203 IonicContact OD1-NE 3.68Å; D188-R203 PolarHBondContact OD1-NE 3.07Å; D188-R203 IonicContact OD1-NH2 3.4Å; D188-R203 PolarHBondContact OD1-NH2 3.38Å; D188-R203 IonicContact OD2-NE 3.92Å; S201-R203 PolarHBondContact O-N 2.95Å; S201-R203 WeakPolarHBondContact OG-CB 3.41Å; S201-R203 WeakPolarHBondContact OG-CG 3.02Å; S201-R203 PolarHBondContact OG-N 3.19Å; R203-G205 PolarHBondContact O-N 3.39Å; R203-L206 HydrophobicContact CB-CB 4.12Å; R203-L206 HydrophobicContact CG-CB 4.42Å; R203-L206 HydrophobicContact CG-CD1 4.35Å; R203-L206 HydrophobicContact CG-CD2 4.09Å; R203-L206 WeakPolarHBondContact O-CB 3.24Å; R203-L206 PolarHBondContact O-N 3.43Å |
| 204 | K | 48.3 | Very low | 65.4 | Low | 165 Ų | 165 | 58.5 Ų | 58.5 | 72% | 0.717 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -65.7 | -13.1 | 161.7 | -87.4 | -172.1 | 176.6 | -178.5 | 0 | 113.3 | S201 Q202 | S201-K204 PolarHBondContact O-N 3.46Å; Q202-K204 PolarHBondContact O-N 3.22Å |
| 205 | G | 46.8 | Very low | 66 | Low | 29 Ų | 29 | 58.9 Ų | 58.9 | 30% | 0.299 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -101.1 | 1.6 | 165.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q202 R203 Q207 V208 | Q202-G205 WeakPolarHBondContact O-CA 2.89Å; Q202-G205 PolarHBondContact O-N 3.25Å; R203-G205 PolarHBondContact O-N 3.39Å; G205-Q207 PolarHBondContact O-N 3.18Å; G205-V208 WeakPolarHBondContact O-CB 3.42Å; G205-V208 WeakPolarHBondContact O-CG2 3Å; G205-V208 PolarHBondContact O-N 3.04Å |
| 206 | L | 52 | Low | 66.5 | Low | 113 Ų | 113 | 61.5 Ų | 61.5 | 59% | 0.592 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | 4.4 | -178.6 | -124.6 | 74.7 | 0 | 0 | 0 | 114.8 | R203 | R203-L206 HydrophobicContact CB-CB 4.12Å; R203-L206 HydrophobicContact CG-CB 4.42Å; R203-L206 HydrophobicContact CG-CD1 4.35Å; R203-L206 HydrophobicContact CG-CD2 4.09Å; R203-L206 WeakPolarHBondContact O-CB 3.24Å; R203-L206 PolarHBondContact O-N 3.43Å |
| 207 | Q | 57.4 | Low | 66.3 | Low | 146 Ų | 146 | 61.5 Ų | 61.5 | 68% | 0.682 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.7 | 22 | 170.9 | -148.7 | 172.8 | -17.3 | 0 | 0 | 111.5 | G205 S241 S243 | G205-Q207 PolarHBondContact O-N 3.18Å; Q207-S241 PolarHBondContact O-OG 3.03Å; Q207-S243 PolarHBondContact O-OG 2.02Å |
| 208 | V | 67.6 | Low | 65.5 | Low | 8 Ų | 8 | 62.5 Ų | 62.5 | 5% | 0.048 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -69.5 | -41.1 | 171.2 | 168.9 | 0 | 0 | 0 | 0 | 110.9 | G205 P215 P224 S241 F248 | G205-V208 WeakPolarHBondContact O-CB 3.42Å; G205-V208 WeakPolarHBondContact O-CG2 3Å; G205-V208 PolarHBondContact O-N 3.04Å; V208-P215 HydrophobicContact CG1-CB 4.42Å; V208-P224 HydrophobicContact CG1-CB 4.3Å; V208-S241 VanDerWaalsContact CA-OG 3.32Å; V208-S241 WeakPolarHBondContact CA-OG 3.45Å; V208-S241 WeakPolarHBondContact O-CB 2.96Å; V208-S241 PolarHBondContact O-OG 3.3Å; V208-F248 HydrophobicContact CB-CD2 4.48Å; V208-F248 HydrophobicContact CG1-CB 3.27Å; V208-F248 HydrophobicContact CG1-CD1 3.64Å; V208-F248 HydrophobicContact CG1-CD2 3.32Å; V208-F248 HydrophobicContact CG1-CE1 4.22Å; V208-F248 HydrophobicContact CG1-CE2 3.97Å; V208-F248 HydrophobicContact CG1-CG 3.11Å; V208-F248 HydrophobicContact CG1-CZ 4.36Å; V208-F248 HydrophobicContact CG2-CE2 4.39Å; V208-F248 HydrophobicContact CG2-CZ 4.43Å |
| 209 | C | 68.6 | Low | 64.1 | Low | 10 Ų | 10 | 67.3 Ų | 67.3 | 7% | 0.068 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -107.6 | 149.6 | 176.8 | -63.1 | 0 | 0 | 0 | 0 | 111.1 | P215 C250 | C209-P215 WeakPolarHBondContact SG-CA 2.99Å; C209-C250 WeakPolarHBondContact CA-SG 3.08Å; C209-C250 HydrophobicContact CB-CB 3.74Å; C209-C250 WeakPolarHBondContact CB-SG 3.06Å; C209-C250 WeakPolarHBondContact SG-CA 3.03Å; C209-C250 WeakPolarHBondContact SG-CB 2.98Å; C209-C250 CovalentContact SG-SG 2.02Å; C209-C250 PolarHBondContact SG-SG 2.81Å |
| 210 | P | 67.7 | Low | 62.9 | Low | 56 Ų | 56 | 78.4 Ų | 78.4 | 36% | 0.364 | 40% | 0.404 | S | S | . | . | trans | -58.7 | 151.9 | 174.9 | 23.6 | -32.8 | 0 | 0 | 0 | 110.8 | G212 S213 V239 | P210-G212 PolarHBondContact O-N 2.02Å; P210-G212 VanDerWaalsContact O-N 3.11Å; P210-S213 PolarHBondContact O-N 3.02Å; P210-V239 HydrophobicContact CG-CG1 4.14Å | ||
| 211 | A | 57 | Low | 62 | Low | 114 Ų | 114 | 79.9 Ų | 79.9 | 94% | 0.942 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | 121.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 212 | G | 55.2 | Low | 61.4 | Low | 28 Ų | 28 | 83.7 Ų | 83.7 | 29% | 0.289 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 118.4 | -45.9 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113 | P210 R265 | P210-G212 PolarHBondContact O-N 2.02Å; P210-G212 VanDerWaalsContact O-N 3.11Å; G212-R265 PolarHBondContact O-NH2 3.21Å |
| 213 | S | 65.2 | Low | 61.6 | Low | 14 Ų | 14 | 81.7 Ų | 81.7 | 10% | 0.098 | 43% | 0.434 | C | S | . | . | trans | -94 | 152.6 | -174.7 | -66.4 | 0 | 0 | 0 | 0 | 112.6 | P210 S251 | P210-S213 PolarHBondContact O-N 3.02Å; S213-S251 WeakPolarHBondContact CB-O 3.31Å; S213-S251 PolarHBondContact OG-O 3.27Å | ||
| 214 | R | 68.5 | Low | 62.4 | Low | 139 Ų | 139 | 76.3 Ų | 76.3 | 53% | 0.525 | 42% | 0.419 | S | S | . | . | trans | -114.7 | 138.9 | 176.8 | -65.7 | 175.4 | 69.7 | 163.7 | 0.7 | 110.8 | C250 S251 | R214-C250 CarbonylContact O-C 3.57Å; R214-C250 WeakPolarHBondContact O-CA 3.48Å; R214-S251 PolarHBondContact O-N 2.84Å | ||
| 215 | P | 73.9 | Confident | 63.9 | Low | 31 Ų | 31 | 70.3 Ų | 70.3 | 20% | 0.201 | 40% | 0.396 | C | S | . | . | B | Isolated β-bridge | trans | -66.6 | 140.9 | 175 | 26 | -31.8 | 0 | 0 | 0 | 110.9 | V208 C209 V217 P224 C249 | V208-P215 HydrophobicContact CG1-CB 4.42Å; C209-P215 WeakPolarHBondContact SG-CA 2.99Å; P215-V217 PolarHBondContact O-N 2.86Å; P215-P224 HydrophobicContact CB-CB 3.87Å; P215-P224 HydrophobicContact CB-CG 4.17Å; P215-P224 HydrophobicContact CG-CG 4.37Å; P215-C249 CarbonylContact C-O 3.58Å; P215-C249 VanDerWaalsContact CA-O 3.29Å; P215-C249 WeakPolarHBondContact CA-O 3.5Å |
| 216 | Y | 74.2 | Confident | 65.7 | Low | 65 Ų | 65 | 77.2 Ų | 77.2 | 26% | 0.255 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -69 | 118.8 | 164.8 | -178.7 | -112.8 | 0 | 0 | 0 | 107.5 | P224 V225 P233 Y236 C249 | Y216-P224 CarbonylContact O-C 3.56Å; Y216-P224 WeakPolarHBondContact O-CA 3.47Å; Y216-V225 HydrophobicContact CD1-CB 3.74Å; Y216-V225 HydrophobicContact CD1-CG1 4.37Å; Y216-V225 HydrophobicContact CD1-CG2 3.38Å; Y216-V225 HydrophobicContact CE1-CB 4.47Å; Y216-V225 HydrophobicContact CE1-CG2 3.73Å; Y216-V225 HydrophobicContact CG-CG2 4.49Å; Y216-V225 PolarHBondContact O-N 3.03Å; Y216-P233 HydrophobicContact CD1-CG 3.66Å; Y216-P233 HydrophobicContact CD2-CG 3.94Å; Y216-P233 HydrophobicContact CE1-CG 3.48Å; Y216-P233 VanDerWaalsContact CE1-CG 3.48Å; Y216-P233 HydrophobicContact CE2-CB 4.28Å; Y216-P233 HydrophobicContact CE2-CG 3.75Å; Y216-P233 HydrophobicContact CG-CG 3.92Å; Y216-Y236 VanDerWaalsContact CA-CE1 3.44Å; Y216-Y236 VanDerWaalsContact CB-CD1 3.47Å; Y216-Y236 HydrophobicContact CD2-CD1 4.49Å; Y216-Y236 HydrophobicContact CD2-CD2 4.04Å; Y216-Y236 HydrophobicContact CD2-CE1 4.16Å; Y216-Y236 AromaticContact CD2-CE2 3.69Å; Y216-Y236 HydrophobicContact CD2-CE2 3.69Å; Y216-Y236 HydrophobicContact CD2-CG 4.44Å; Y216-Y236 AromaticContact CD2-CZ 3.75Å; Y216-Y236 HydrophobicContact CE2-CE2 4.5Å; Y216-Y236 HydrophobicContact CG-CD1 4.4Å; Y216-Y236 HydrophobicContact CG-CD2 4.49Å; Y216-Y236 HydrophobicContact CG-CE1 4.36Å; Y216-Y236 HydrophobicContact CG-CE2 4.47Å; Y216-Y236 HydrophobicContact CG-CG 4.48Å; Y216-C249 PolarHBondContact N-O 2.97Å |
| 217 | V | 73.6 | Confident | 67.1 | Low | 61 Ų | 61 | 72.2 Ų | 72.2 | 37% | 0.37 | 39% | 0.388 | S | S | . | . | B | Isolated β-bridge | trans | -98.8 | 123.7 | 179.6 | -179.9 | 0 | 0 | 0 | 0 | 107.9 | P215 N222 A223 | P215-V217 PolarHBondContact O-N 2.86Å; V217-N222 VanDerWaalsContact CG1-CA 3.48Å; V217-N222 HydrophobicContact CG1-CB 4.38Å; V217-N222 WeakPolarHBondContact CG1-O 3.42Å; V217-A223 WeakPolarHBondContact CA-O 3.47Å |
| 218 | S | 66.4 | Low | 68.2 | Low | 20 Ų | 20 | 70.9 Ų | 70.9 | 14% | 0.14 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 126.5 | 177 | 167.8 | 0 | 0 | 0 | 0 | 109.4 | R220 T221 N222 A223 | S218-R220 PolarHBondContact O-N 2.88Å; S218-R220 VanDerWaalsContact O-N 3.13Å; S218-R220 PolarHBondContact OG-N 3.14Å; S218-T221 VanDerWaalsContact CB-OG1 3.29Å; S218-T221 WeakPolarHBondContact CB-OG1 3.32Å; S218-T221 PolarHBondContact O-N 3.48Å; S218-T221 PolarHBondContact OG-N 3.27Å; S218-T221 PolarHBondContact OG-OG1 3.04Å; S218-N222 VanDerWaalsContact O-CA 3.29Å; S218-N222 WeakPolarHBondContact O-CA 3.45Å; S218-N222 PolarHBondContact O-N 2.98Å; S218-A223 PolarHBondContact N-O 3.02Å |
| 219 | P | 56.8 | Low | 68.4 | Low | 102 Ų | 102 | 73 Ų | 73 | 66% | 0.662 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -17.2 | 176.9 | 24.3 | -31.7 | 0 | 0 | 0 | 112.8 | ||
| 220 | R | 56.3 | Low | 68.3 | Low | 233 Ų | 233 | 80.2 Ų | 80.2 | 88% | 0.879 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -39.6 | 177 | -78.7 | -169.2 | -94 | -128.7 | -0.8 | 113.5 | S218 | S218-R220 PolarHBondContact O-N 2.88Å; S218-R220 VanDerWaalsContact O-N 3.13Å; S218-R220 PolarHBondContact OG-N 3.14Å |
| 221 | T | 62.2 | Low | 68.9 | Low | 97 Ų | 97 | 87.4 Ų | 87.4 | 60% | 0.595 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.5 | -9.2 | -172.1 | 58.6 | 0 | 0 | 0 | 0 | 113.2 | S218 A223 | S218-T221 VanDerWaalsContact CB-OG1 3.29Å; S218-T221 WeakPolarHBondContact CB-OG1 3.32Å; S218-T221 PolarHBondContact O-N 3.48Å; S218-T221 PolarHBondContact OG-N 3.27Å; S218-T221 PolarHBondContact OG-OG1 3.04Å; T221-A223 PolarHBondContact O-N 3.38Å |
| 222 | N | 57.1 | Low | 70 | Confident | 89 Ų | 89 | 83.4 Ų | 83.4 | 48% | 0.476 | 44% | 0.436 | S | S | . | . | trans | 49.7 | 25.4 | -170.4 | -73.1 | -54.9 | 0 | 0 | 0 | 113.7 | V217 S218 | V217-N222 VanDerWaalsContact CG1-CA 3.48Å; V217-N222 HydrophobicContact CG1-CB 4.38Å; V217-N222 WeakPolarHBondContact CG1-O 3.42Å; S218-N222 VanDerWaalsContact O-CA 3.29Å; S218-N222 WeakPolarHBondContact O-CA 3.45Å; S218-N222 PolarHBondContact O-N 2.98Å | ||
| 223 | A | 63.4 | Low | 71.2 | Confident | 40 Ų | 40 | 84.2 Ų | 84.2 | 33% | 0.331 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -109.8 | 148.8 | 178 | 0 | 0 | 0 | 0 | 0 | 110.9 | V217 S218 T221 V225 | V217-A223 WeakPolarHBondContact CA-O 3.47Å; S218-A223 PolarHBondContact N-O 3.02Å; T221-A223 PolarHBondContact O-N 3.38Å; A223-V225 PolarHBondContact O-N 2.86Å |
| 224 | P | 71.4 | Confident | 71.8 | Confident | 42 Ų | 42 | 89.6 Ų | 89.6 | 27% | 0.273 | 47% | 0.473 | S | S | . | . | B | Isolated β-bridge | trans | -51.8 | 125.2 | 168.1 | -27.3 | 36.3 | 0 | 0 | 0 | 111.1 | V208 P215 Y216 R226 F248 | V208-P224 HydrophobicContact CG1-CB 4.3Å; P215-P224 HydrophobicContact CB-CB 3.87Å; P215-P224 HydrophobicContact CB-CG 4.17Å; P215-P224 HydrophobicContact CG-CG 4.37Å; Y216-P224 CarbonylContact O-C 3.56Å; Y216-P224 WeakPolarHBondContact O-CA 3.47Å; P224-R226 PolarHBondContact O-N 3.29Å; P224-F248 HydrophobicContact CB-CD1 3.56Å; P224-F248 HydrophobicContact CB-CE1 3.83Å |
| 225 | V | 80 | Confident | 71.9 | Confident | 39 Ų | 39 | 85 Ų | 85 | 24% | 0.236 | 47% | 0.469 | C | S | . | . | P | Polyproline II helix | trans | -73.3 | 119.9 | -179.4 | 173.8 | 0 | 0 | 0 | 0 | 109.5 | Y216 A223 F248 C249 | Y216-V225 HydrophobicContact CD1-CB 3.74Å; Y216-V225 HydrophobicContact CD1-CG1 4.37Å; Y216-V225 HydrophobicContact CD1-CG2 3.38Å; Y216-V225 HydrophobicContact CE1-CB 4.47Å; Y216-V225 HydrophobicContact CE1-CG2 3.73Å; Y216-V225 HydrophobicContact CG-CG2 4.49Å; Y216-V225 PolarHBondContact O-N 3.03Å; A223-V225 PolarHBondContact O-N 2.86Å; V225-F248 VanDerWaalsContact O-CA 3.31Å; V225-F248 WeakPolarHBondContact O-CA 3.43Å; V225-C249 PolarHBondContact O-N 3.31Å |
| 226 | R | 84.4 | Confident | 72.1 | Confident | 175 Ų | 175 | 87 Ų | 87 | 66% | 0.66 | 47% | 0.473 | S | S | * | . | B | Isolated β-bridge | trans | -71 | 136.6 | 169.6 | -62.8 | 176.5 | 79.6 | -173.4 | 4.9 | 109 | P224 S246 Y247 F248 | P224-R226 PolarHBondContact O-N 3.29Å; R226-S246 PolarHBondContact NH2-OG 2.95Å; R226-Y247 CarbonylContact C-O 3.55Å; R226-Y247 WeakPolarHBondContact CA-O 3Å; R226-F248 HydrophobicContact CG-CD1 3.94Å; R226-F248 HydrophobicContact CG-CE1 3.46Å; R226-F248 VanDerWaalsContact CG-CE1 3.46Å; R226-F248 HydrophobicContact CG-CZ 3.86Å |
| 227 | C | 82.9 | Confident | 72.4 | Confident | 7 Ų | 7 | 89.4 Ų | 89.4 | 5% | 0.047 | 48% | 0.482 | C | S | . | . | trans | -117.6 | 151.5 | 176.4 | 51.9 | 0 | 0 | 0 | 0 | 110.6 | C238 Y247 F248 | C227-C238 HydrophobicContact CB-CB 3.88Å; C227-C238 WeakPolarHBondContact CB-SG 3.12Å; C227-C238 WeakPolarHBondContact SG-CA 2.79Å; C227-C238 WeakPolarHBondContact SG-CB 2.98Å; C227-C238 CovalentContact SG-SG 2.02Å; C227-C238 PolarHBondContact SG-SG 3.29Å; C227-Y247 PolarHBondContact N-O 2.85Å; C227-Y247 WeakPolarHBondContact O-CB 3.42Å; C227-Y247 VanDerWaalsContact SG-C 3.55Å; C227-F248 VanDerWaalsContact SG-CA 3.54Å; C227-F248 PolarHBondContact SG-N 3.46Å; C227-F248 VanDerWaalsContact SG-N 3.38Å; C227-F248 PolarHBondContact SG-O 3.48Å | ||
| 228 | T | 80 | Confident | 73 | Confident | 118 Ų | 118 | 87.9 Ų | 87.9 | 72% | 0.724 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -128.6 | 106.5 | 170.8 | 49.1 | 0 | 0 | 0 | 0 | 106.7 | ||
| 229 | G | 71.7 | Confident | 73.7 | Confident | 52 Ų | 52 | 88.1 Ų | 88.1 | 54% | 0.536 | 47% | 0.474 | S | S | . | . | S | Bend | trans | 77.1 | -145.3 | -169.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | R231 C238 | G229-R231 VanDerWaalsContact C-N 3.35Å; G229-R231 PolarHBondContact O-N 3.4Å; G229-C238 WeakPolarHBondContact O-CB 3.49Å; G229-C238 PolarHBondContact O-SG 2.91Å |
| 230 | N | 66.6 | Low | 74.8 | Confident | 163 Ų | 163 | 88.4 Ų | 88.4 | 87% | 0.872 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -90.1 | 21.3 | -172.8 | -68.8 | -19.4 | 0 | 0 | 0 | 115 | C232 | N230-C232 PolarHBondContact O-N 2.97Å; N230-C232 VanDerWaalsContact O-N 3.08Å |
| 231 | R | 79.4 | Confident | 75.7 | Confident | 207 Ų | 207 | 77.4 Ų | 77.4 | 78% | 0.781 | 42% | 0.422 | S | S | * | . | trans | -85 | 79.3 | -178.5 | -68.1 | -174.3 | -175.9 | 172 | 2 | 111.7 | G229 C249 | G229-R231 VanDerWaalsContact C-N 3.35Å; G229-R231 PolarHBondContact O-N 3.4Å; R231-C249 PolarHBondContact O-SG 2.79Å | ||
| 232 | C | 80.4 | Confident | 76.1 | Confident | 29 Ų | 29 | 78.6 Ų | 78.6 | 20% | 0.196 | 43% | 0.428 | C | S | . | . | trans | -127.8 | 150.2 | 169.3 | -69.4 | 0 | 0 | 0 | 0 | 111 | N230 Y236 C249 | N230-C232 PolarHBondContact O-N 2.97Å; N230-C232 VanDerWaalsContact O-N 3.08Å; C232-Y236 VanDerWaalsContact CB-O 3.28Å; C232-Y236 WeakPolarHBondContact CB-O 3.4Å; C232-C249 WeakPolarHBondContact CA-SG 3.19Å; C232-C249 HydrophobicContact CB-CB 3.83Å; C232-C249 WeakPolarHBondContact CB-SG 3.31Å; C232-C249 WeakPolarHBondContact SG-CA 2.99Å; C232-C249 WeakPolarHBondContact SG-CB 3.33Å; C232-C249 CovalentContact SG-SG 2.04Å; C232-C249 PolarHBondContact SG-SG 3.36Å | ||
| 233 | P | 81.6 | Confident | 76.4 | Confident | 46 Ų | 46 | 77.4 Ų | 77.4 | 30% | 0.299 | 43% | 0.427 | S | S | . | . | trans | -60 | 157.6 | 172.9 | -18.9 | 30.5 | 0 | 0 | 0 | 111.7 | Y216 G235 Y236 | Y216-P233 HydrophobicContact CD1-CG 3.66Å; Y216-P233 HydrophobicContact CD2-CG 3.94Å; Y216-P233 HydrophobicContact CE1-CG 3.48Å; Y216-P233 VanDerWaalsContact CE1-CG 3.48Å; Y216-P233 HydrophobicContact CE2-CB 4.28Å; Y216-P233 HydrophobicContact CE2-CG 3.75Å; Y216-P233 HydrophobicContact CG-CG 3.92Å; P233-G235 PolarHBondContact O-N 3.29Å; P233-Y236 HydrophobicContact CB-CD2 4.45Å; P233-Y236 WeakPolarHBondContact O-CB 3.45Å; P233-Y236 PolarHBondContact O-N 2.79Å | ||
| 234 | S | 76.3 | Confident | 76.5 | Confident | 126 Ų | 126 | 77.7 Ų | 77.7 | 88% | 0.881 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.5 | 131 | 174.6 | -54.5 | 0 | 0 | 0 | 0 | 111.4 | ||
| 235 | G | 71.9 | Confident | 76.7 | Confident | 42 Ų | 42 | 85.6 Ų | 85.6 | 43% | 0.433 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89 | 0.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | P233 S251 S252 | P233-G235 PolarHBondContact O-N 3.29Å; G235-S251 WeakPolarHBondContact O-CA 3.5Å; G235-S252 PolarHBondContact O-N 2.04Å; G235-S252 PolarHBondContact O-OG 2.02Å |
| 236 | Y | 78.1 | Confident | 76.7 | Confident | 74 Ų | 74 | 84.6 Ų | 84.6 | 29% | 0.29 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 143 | 176.8 | -63.9 | -100.3 | 0 | 0 | 0 | 111.2 | Y216 C232 P233 C250 S251 | Y216-Y236 VanDerWaalsContact CA-CE1 3.44Å; Y216-Y236 VanDerWaalsContact CB-CD1 3.47Å; Y216-Y236 HydrophobicContact CD2-CD1 4.49Å; Y216-Y236 HydrophobicContact CD2-CD2 4.04Å; Y216-Y236 HydrophobicContact CD2-CE1 4.16Å; Y216-Y236 AromaticContact CD2-CE2 3.69Å; Y216-Y236 HydrophobicContact CD2-CE2 3.69Å; Y216-Y236 HydrophobicContact CD2-CG 4.44Å; Y216-Y236 AromaticContact CD2-CZ 3.75Å; Y216-Y236 HydrophobicContact CE2-CE2 4.5Å; Y216-Y236 HydrophobicContact CG-CD1 4.4Å; Y216-Y236 HydrophobicContact CG-CD2 4.49Å; Y216-Y236 HydrophobicContact CG-CE1 4.36Å; Y216-Y236 HydrophobicContact CG-CE2 4.47Å; Y216-Y236 HydrophobicContact CG-CG 4.48Å; C232-Y236 VanDerWaalsContact CB-O 3.28Å; C232-Y236 WeakPolarHBondContact CB-O 3.4Å; P233-Y236 HydrophobicContact CB-CD2 4.45Å; P233-Y236 WeakPolarHBondContact O-CB 3.45Å; P233-Y236 PolarHBondContact O-N 2.79Å; Y236-C250 CarbonylContact C-O 3.47Å; Y236-C250 VanDerWaalsContact CA-O 3.32Å; Y236-C250 WeakPolarHBondContact CA-O 3Å; Y236-C250 VanDerWaalsContact CD1-C 3.49Å; Y236-S251 VanDerWaalsContact CD1-N 3.26Å |
| 237 | R | 80.8 | Confident | 76.7 | Confident | 115 Ų | 115 | 82.2 Ų | 82.2 | 43% | 0.434 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 149.4 | 173.1 | 58.8 | 171.2 | -176.3 | -179.1 | -1.6 | 110.4 | V239 C250 S252 S254 | R237-V239 HydrophobicContact CG-CG2 3.78Å; R237-V239 PolarHBondContact O-N 2.77Å; R237-C250 WeakPolarHBondContact CG-O 3.29Å; R237-C250 PolarHBondContact N-O 3.46Å; R237-C250 PolarHBondContact O-N 3.24Å; R237-S252 PolarHBondContact N-OG 3.25Å; R237-S254 PolarHBondContact NH2-OG 2.72Å |
| 238 | C | 85.3 | Confident | 76.7 | Confident | 30 Ų | 30 | 82.8 Ų | 82.8 | 20% | 0.203 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 115.9 | 176.6 | -169.6 | 0 | 0 | 0 | 0 | 109.8 | C227 G229 | C227-C238 HydrophobicContact CB-CB 3.88Å; C227-C238 WeakPolarHBondContact CB-SG 3.12Å; C227-C238 WeakPolarHBondContact SG-CA 2.79Å; C227-C238 WeakPolarHBondContact SG-CB 2.98Å; C227-C238 CovalentContact SG-SG 2.02Å; C227-C238 PolarHBondContact SG-SG 3.29Å; G229-C238 WeakPolarHBondContact O-CB 3.49Å; G229-C238 PolarHBondContact O-SG 2.91Å |
| 239 | V | 81.8 | Confident | 76.8 | Confident | 24 Ų | 24 | 77.2 Ų | 77.2 | 15% | 0.145 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 137.5 | -178.1 | -176.1 | 0 | 0 | 0 | 0 | 109.8 | P210 R237 S241 Y247 F248 C250 | P210-V239 HydrophobicContact CG-CG1 4.14Å; R237-V239 HydrophobicContact CG-CG2 3.78Å; R237-V239 PolarHBondContact O-N 2.77Å; V239-S241 PolarHBondContact O-N 2.8Å; V239-Y247 WeakPolarHBondContact O-CA 3.45Å; V239-F248 PolarHBondContact N-O 3.41Å; V239-F248 PolarHBondContact O-N 2.89Å; V239-C250 HydrophobicContact CB-CB 4.02Å; V239-C250 HydrophobicContact CG2-CB 3.66Å |
| 240 | Y | 80.2 | Confident | 77.2 | Confident | 109 Ų | 109 | 74.8 Ų | 74.8 | 43% | 0.427 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 122.1 | 173.7 | -173.8 | -104 | 0 | 0 | 0 | 110.5 | V242 Y247 | Y240-V242 HydrophobicContact CD1-CG2 4.35Å; Y240-V242 HydrophobicContact CE1-CG2 4.44Å; Y240-Y247 HydrophobicContact CD2-CD1 4.22Å; Y240-Y247 AromaticContact CD2-CD2 3.9Å; Y240-Y247 HydrophobicContact CD2-CD2 3.9Å; Y240-Y247 HydrophobicContact CD2-CE1 4.01Å; Y240-Y247 AromaticContact CD2-CE2 3.65Å; Y240-Y247 HydrophobicContact CD2-CE2 3.65Å; Y240-Y247 HydrophobicContact CD2-CG 4.17Å; Y240-Y247 AromaticContact CD2-CZ 3.7Å; Y240-Y247 HydrophobicContact CE2-CE2 4.21Å; Y240-Y247 HydrophobicContact CG-CE1 4.32Å |
| 241 | S | 73.6 | Confident | 77.7 | Confident | 2 Ų | 2 | 68 Ų | 68 | 1% | 0.014 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 114.9 | 171.2 | 179.8 | 0 | 0 | 0 | 0 | 110.2 | Q207 V208 V239 S243 S244 R245 S246 | Q207-S241 PolarHBondContact O-OG 3.03Å; V208-S241 VanDerWaalsContact CA-OG 3.32Å; V208-S241 WeakPolarHBondContact CA-OG 3.45Å; V208-S241 WeakPolarHBondContact O-CB 2.96Å; V208-S241 PolarHBondContact O-OG 3.3Å; V239-S241 PolarHBondContact O-N 2.8Å; S241-S243 VanDerWaalsContact C-N 3.26Å; S241-S243 PolarHBondContact O-N 2.91Å; S241-S243 PolarHBondContact OG-N 3.46Å; S241-S243 PolarHBondContact OG-OG 2.78Å; S241-S244 WeakPolarHBondContact CB-OG 3.41Å; S241-S244 PolarHBondContact OG-N 3.5Å; S241-S244 PolarHBondContact OG-OG 2.83Å; S241-R245 WeakPolarHBondContact O-CA 3.31Å; S241-R245 PolarHBondContact O-N 3.2Å; S241-S246 WeakPolarHBondContact CB-O 3.21Å; S241-S246 PolarHBondContact N-O 2.94Å; S241-S246 PolarHBondContact O-N 2.8Å |
| 242 | V | 70.3 | Confident | 77 | Confident | 122 Ų | 122 | 60.3 Ų | 60.3 | 74% | 0.739 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -36.5 | 172.6 | -176.1 | 0 | 0 | 0 | 0 | 111 | Y240 S244 | Y240-V242 HydrophobicContact CD1-CG2 4.35Å; Y240-V242 HydrophobicContact CE1-CG2 4.44Å; V242-S244 PolarHBondContact O-N 3.18Å |
| 243 | S | 63.4 | Low | 75.7 | Confident | 64 Ų | 64 | 64 Ų | 64 | 45% | 0.448 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -30.7 | -176 | 67.5 | 0 | 0 | 0 | 0 | 113.5 | Q207 S241 | Q207-S243 PolarHBondContact O-OG 2.02Å; S241-S243 VanDerWaalsContact C-N 3.26Å; S241-S243 PolarHBondContact O-N 2.91Å; S241-S243 PolarHBondContact OG-N 3.46Å; S241-S243 PolarHBondContact OG-OG 2.78Å |
| 244 | S | 67.2 | Low | 73.9 | Confident | 45 Ų | 45 | 64.3 Ų | 64.3 | 32% | 0.315 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.9 | 6.9 | -176.5 | 56.1 | 0 | 0 | 0 | 0 | 113.6 | S241 V242 S246 F248 | S241-S244 WeakPolarHBondContact CB-OG 3.41Å; S241-S244 PolarHBondContact OG-N 3.5Å; S241-S244 PolarHBondContact OG-OG 2.83Å; V242-S244 PolarHBondContact O-N 3.18Å; S244-S246 WeakPolarHBondContact O-CB 3.44Å; S244-S246 PolarHBondContact O-N 3.32Å; S244-S246 VanDerWaalsContact O-N 3.1Å; S244-F248 WeakPolarHBondContact OG-CE2 3.02Å |
| 245 | R | 75.3 | Confident | 72.4 | Confident | 209 Ų | 209 | 65.4 Ų | 65.4 | 79% | 0.789 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.9 | 41.3 | 179 | -62 | -177.8 | 179 | -172.9 | -0.9 | 112.5 | S241 | S241-R245 WeakPolarHBondContact O-CA 3.31Å; S241-R245 PolarHBondContact O-N 3.2Å |
| 246 | S | 80 | Confident | 70.7 | Confident | 18 Ų | 18 | 67 Ų | 67 | 13% | 0.126 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 156.1 | -173.6 | -82.9 | 0 | 0 | 0 | 0 | 110.7 | R226 S241 S244 F248 | R226-S246 PolarHBondContact NH2-OG 2.95Å; S241-S246 WeakPolarHBondContact CB-O 3.21Å; S241-S246 PolarHBondContact N-O 2.94Å; S241-S246 PolarHBondContact O-N 2.8Å; S244-S246 WeakPolarHBondContact O-CB 3.44Å; S244-S246 PolarHBondContact O-N 3.32Å; S244-S246 VanDerWaalsContact O-N 3.1Å; S246-F248 VanDerWaalsContact CB-CE2 3.43Å; S246-F248 VanDerWaalsContact O-CD2 3.31Å; S246-F248 WeakPolarHBondContact O-CD2 3.33Å |
| 247 | Y | 83.8 | Confident | 69 | Low | 125 Ų | 125 | 65.1 Ų | 65.1 | 49% | 0.49 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 134.5 | 177.7 | -74.7 | -87.9 | 0 | 0 | 0 | 110.7 | R226 C227 V239 Y240 | R226-Y247 CarbonylContact C-O 3.55Å; R226-Y247 WeakPolarHBondContact CA-O 3Å; C227-Y247 PolarHBondContact N-O 2.85Å; C227-Y247 WeakPolarHBondContact O-CB 3.42Å; C227-Y247 VanDerWaalsContact SG-C 3.55Å; V239-Y247 WeakPolarHBondContact O-CA 3.45Å; Y240-Y247 HydrophobicContact CD2-CD1 4.22Å; Y240-Y247 AromaticContact CD2-CD2 3.9Å; Y240-Y247 HydrophobicContact CD2-CD2 3.9Å; Y240-Y247 HydrophobicContact CD2-CE1 4.01Å; Y240-Y247 AromaticContact CD2-CE2 3.65Å; Y240-Y247 HydrophobicContact CD2-CE2 3.65Å; Y240-Y247 HydrophobicContact CD2-CG 4.17Å; Y240-Y247 AromaticContact CD2-CZ 3.7Å; Y240-Y247 HydrophobicContact CE2-CE2 4.21Å; Y240-Y247 HydrophobicContact CG-CE1 4.32Å |
| 248 | F | 83.2 | Confident | 67.7 | Low | 19 Ų | 19 | 64.6 Ų | 64.6 | 8% | 0.083 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 149.8 | 179.3 | -66.5 | -96.5 | 0 | 0 | 0 | 112.1 | V208 P224 V225 R226 C227 V239 S244 S246 C250 | V208-F248 HydrophobicContact CB-CD2 4.48Å; V208-F248 HydrophobicContact CG1-CB 3.27Å; V208-F248 HydrophobicContact CG1-CD1 3.64Å; V208-F248 HydrophobicContact CG1-CD2 3.32Å; V208-F248 HydrophobicContact CG1-CE1 4.22Å; V208-F248 HydrophobicContact CG1-CE2 3.97Å; V208-F248 HydrophobicContact CG1-CG 3.11Å; V208-F248 HydrophobicContact CG1-CZ 4.36Å; V208-F248 HydrophobicContact CG2-CE2 4.39Å; V208-F248 HydrophobicContact CG2-CZ 4.43Å; P224-F248 HydrophobicContact CB-CD1 3.56Å; P224-F248 HydrophobicContact CB-CE1 3.83Å; V225-F248 VanDerWaalsContact O-CA 3.31Å; V225-F248 WeakPolarHBondContact O-CA 3.43Å; R226-F248 HydrophobicContact CG-CD1 3.94Å; R226-F248 HydrophobicContact CG-CE1 3.46Å; R226-F248 VanDerWaalsContact CG-CE1 3.46Å; R226-F248 HydrophobicContact CG-CZ 3.86Å; C227-F248 VanDerWaalsContact SG-CA 3.54Å; C227-F248 PolarHBondContact SG-N 3.46Å; C227-F248 VanDerWaalsContact SG-N 3.38Å; C227-F248 PolarHBondContact SG-O 3.48Å; V239-F248 PolarHBondContact N-O 3.41Å; V239-F248 PolarHBondContact O-N 2.89Å; S244-F248 WeakPolarHBondContact OG-CE2 3.02Å; S246-F248 VanDerWaalsContact CB-CE2 3.43Å; S246-F248 VanDerWaalsContact O-CD2 3.31Å; S246-F248 WeakPolarHBondContact O-CD2 3.33Å; F248-C250 PolarHBondContact O-N 2.83Å |
| 249 | C | 82.1 | Confident | 66.4 | Low | 1 Ų | 1 | 67.9 Ų | 67.9 | 1% | 0.007 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 116.2 | 173.2 | -69.1 | 0 | 0 | 0 | 0 | 109.6 | P215 Y216 V225 R231 C232 | P215-C249 CarbonylContact C-O 3.58Å; P215-C249 VanDerWaalsContact CA-O 3.29Å; P215-C249 WeakPolarHBondContact CA-O 3.5Å; Y216-C249 PolarHBondContact N-O 2.97Å; V225-C249 PolarHBondContact O-N 3.31Å; R231-C249 PolarHBondContact O-SG 2.79Å; C232-C249 WeakPolarHBondContact CA-SG 3.19Å; C232-C249 HydrophobicContact CB-CB 3.83Å; C232-C249 WeakPolarHBondContact CB-SG 3.31Å; C232-C249 WeakPolarHBondContact SG-CA 2.99Å; C232-C249 WeakPolarHBondContact SG-CB 3.33Å; C232-C249 CovalentContact SG-SG 2.04Å; C232-C249 PolarHBondContact SG-SG 3.36Å |
| 250 | C | 80.5 | Confident | 65.3 | Low | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 138 | -178.6 | -66.6 | 0 | 0 | 0 | 0 | 109.7 | C209 R214 Y236 R237 V239 F248 S252 | C209-C250 WeakPolarHBondContact CA-SG 3.08Å; C209-C250 HydrophobicContact CB-CB 3.74Å; C209-C250 WeakPolarHBondContact CB-SG 3.06Å; C209-C250 WeakPolarHBondContact SG-CA 3.03Å; C209-C250 WeakPolarHBondContact SG-CB 2.98Å; C209-C250 CovalentContact SG-SG 2.02Å; C209-C250 PolarHBondContact SG-SG 2.81Å; R214-C250 CarbonylContact O-C 3.57Å; R214-C250 WeakPolarHBondContact O-CA 3.48Å; Y236-C250 CarbonylContact C-O 3.47Å; Y236-C250 VanDerWaalsContact CA-O 3.32Å; Y236-C250 WeakPolarHBondContact CA-O 3Å; Y236-C250 VanDerWaalsContact CD1-C 3.49Å; R237-C250 WeakPolarHBondContact CG-O 3.29Å; R237-C250 PolarHBondContact N-O 3.46Å; R237-C250 PolarHBondContact O-N 3.24Å; V239-C250 HydrophobicContact CB-CB 4.02Å; V239-C250 HydrophobicContact CG2-CB 3.66Å; F248-C250 PolarHBondContact O-N 2.83Å; C250-S252 PolarHBondContact O-N 3.21Å |
| 251 | S | 76.6 | Confident | 64.7 | Low | 22 Ų | 22 | 61.9 Ų | 61.9 | 15% | 0.154 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.1 | 128.7 | -179.7 | 171.5 | 0 | 0 | 0 | 0 | 109.8 | S213 R214 G235 Y236 D253 | S213-S251 WeakPolarHBondContact CB-O 3.31Å; S213-S251 PolarHBondContact OG-O 3.27Å; R214-S251 PolarHBondContact O-N 2.84Å; G235-S251 WeakPolarHBondContact O-CA 3.5Å; Y236-S251 VanDerWaalsContact CD1-N 3.26Å; S251-D253 PolarHBondContact O-N 3.13Å |
| 252 | S | 63.9 | Low | 64.2 | Low | 45 Ų | 45 | 65.9 Ų | 65.9 | 32% | 0.315 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -67.1 | -15.8 | -177.4 | -56.3 | 0 | 0 | 0 | 0 | 112.3 | G235 R237 C250 S254 | G235-S252 PolarHBondContact O-N 2.04Å; G235-S252 PolarHBondContact O-OG 2.02Å; R237-S252 PolarHBondContact N-OG 3.25Å; C250-S252 PolarHBondContact O-N 3.21Å; S252-S254 PolarHBondContact O-N 3.28Å |
| 253 | D | 53.5 | Low | 63.9 | Low | 106 Ų | 106 | 66.5 Ų | 66.5 | 57% | 0.567 | 38% | 0.376 | S | S | * | . | trans | -85.1 | 83.5 | -172.9 | -55.7 | -33.5 | 0 | 0 | 0 | 110.7 | S251 H255 | S251-D253 PolarHBondContact O-N 3.13Å; D253-H255 PolarHBondContact O-N 3.33Å | ||
| 254 | S | 45.1 | Very low | 64 | Low | 53 Ų | 53 | 64.5 Ų | 64.5 | 37% | 0.371 | 37% | 0.366 | S | S | . | . | trans | -83.6 | 25.7 | 169.6 | -45.3 | 0 | 0 | 0 | 0 | 112.1 | R237 S252 | R237-S254 PolarHBondContact NH2-OG 2.72Å; S252-S254 PolarHBondContact O-N 3.28Å | ||
| 255 | H | 43 | Very low | 64.1 | Low | 148 Ų | 148 | 69.3 Ų | 69.3 | 69% | 0.685 | 38% | 0.377 | S | S | * | . | trans | -132 | 114.5 | -170.2 | -64.6 | 89 | 0 | 0 | 0 | 111.3 | D253 | D253-H255 PolarHBondContact O-N 3.33Š| ||
| 256 | G | 36.7 | Very low | 63.9 | Low | 76 Ų | 76 | 60 Ų | 60 | 78% | 0.784 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | 140.7 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 257 | G | 43.4 | Very low | 63.4 | Low | 35 Ų | 35 | 62.7 Ų | 62.7 | 36% | 0.361 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 127.6 | -15.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 258 | V | 53 | Low | 62.7 | Low | 104 Ų | 104 | 59.9 Ų | 59.9 | 63% | 0.63 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -101.5 | -12.6 | -166.8 | -152.6 | 0 | 0 | 0 | 0 | 115 | G260 | V258-G260 PolarHBondContact O-N 2.9Š|
| 259 | N | 57.4 | Low | 61.6 | Low | 99 Ų | 99 | 64.3 Ų | 64.3 | 53% | 0.529 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -93 | 38.5 | 174.4 | -73.5 | -49 | 0 | 0 | 0 | 112.6 | C261 P266 Y268 Q301 | N259-C261 VanDerWaalsContact C-N 3.3Å; N259-C261 PolarHBondContact O-N 2.87Å; N259-P266 HydrophobicContact CB-CG 3.69Å; N259-P266 WeakPolarHBondContact O-CG 3.34Å; N259-Y268 VanDerWaalsContact CB-OH 3.26Å; N259-Y268 WeakPolarHBondContact CB-OH 3.44Å; N259-Y268 VanDerWaalsContact CG-OH 3.26Å; N259-Q301 PolarHBondContact O-NE2 2.71Å |
| 260 | G | 60.1 | Low | 60.1 | Low | 3 Ų | 3 | 69.2 Ų | 69.2 | 3% | 0.031 | 39% | 0.389 | C | S | . | . | S | Bend | trans | 74.3 | 12.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | V258 S294 Q301 | V258-G260 PolarHBondContact O-N 2.9Å; G260-S294 WeakPolarHBondContact CA-OG 3.26Å; G260-S294 WeakPolarHBondContact O-CA 3.44Å; G260-S294 WeakPolarHBondContact O-CB 3.16Å; G260-S294 PolarHBondContact O-OG 2.93Å; G260-Q301 PolarHBondContact O-NE2 3.25Å |
| 261 | C | 66.7 | Low | 58.6 | Low | 3 Ų | 3 | 75.2 Ų | 75.2 | 2% | 0.02 | 42% | 0.421 | C | S | . | . | trans | -112.9 | 122.1 | 169.6 | -71.4 | 0 | 0 | 0 | 0 | 108.3 | N259 Q263 P266 Q301 C303 | N259-C261 VanDerWaalsContact C-N 3.3Å; N259-C261 PolarHBondContact O-N 2.87Å; C261-Q263 PolarHBondContact O-N 3.25Å; C261-P266 WeakPolarHBondContact SG-CA 3.02Å; C261-P266 VanDerWaalsContact SG-N 3.39Å; C261-Q301 PolarHBondContact SG-NE2 3.04Å; C261-C303 VanDerWaalsContact CA-SG 3.54Å; C261-C303 HydrophobicContact CB-CB 3.66Å; C261-C303 WeakPolarHBondContact CB-SG 3.35Å; C261-C303 VanDerWaalsContact SG-CA 3.51Å; C261-C303 WeakPolarHBondContact SG-CB 3.47Å; C261-C303 CovalentContact SG-SG 2.01Å; C261-C303 PolarHBondContact SG-SG 3.04Å | ||
| 262 | P | 63.7 | Low | 57.6 | Low | 86 Ų | 86 | 77.9 Ų | 77.9 | 56% | 0.558 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -64.9 | -30.3 | -179.1 | 25.5 | -33.1 | 0 | 0 | 0 | 111.9 | I292 | P262-I292 VanDerWaalsContact CD-CG2 3.5Å; P262-I292 HydrophobicContact CG-CG2 3.46Å; P262-I292 VanDerWaalsContact CG-CG2 3.46Å |
| 263 | Q | 63.1 | Low | 57.3 | Low | 135 Ų | 135 | 80.8 Ų | 80.8 | 63% | 0.631 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -136.2 | 140 | 170.2 | -66.8 | -174.4 | -14.6 | 0 | 0 | 109.6 | C261 | C261-Q263 PolarHBondContact O-N 3.25Š|
| 264 | G | 65.6 | Low | 57.8 | Low | 23 Ų | 23 | 82.5 Ų | 82.5 | 24% | 0.237 | 45% | 0.451 | C | S | . | . | S | Bend | trans | 79.5 | -154.1 | 180 | 0 | 0 | 0 | 0 | 0 | 114.9 | S304 | G264-S304 VanDerWaalsContact CA-OG 3.25Å; G264-S304 WeakPolarHBondContact CA-OG 3.49Å |
| 265 | R | 69.7 | Low | 59 | Low | 146 Ų | 146 | 81.1 Ų | 81.1 | 55% | 0.551 | 44% | 0.441 | S | S | * | . | trans | -124.2 | 136.6 | -173.5 | -63.5 | 178.5 | 174.5 | -129.1 | -12.5 | 110 | G212 Y289 C303 S304 | G212-R265 PolarHBondContact O-NH2 3.21Å; R265-Y289 WeakPolarHBondContact O-CE1 3.37Å; R265-C303 CarbonylContact O-C 3.51Å; R265-C303 WeakPolarHBondContact O-CA 3.44Å; R265-S304 PolarHBondContact N-OG 3.28Å; R265-S304 PolarHBondContact O-N 3Å | ||
| 266 | P | 70.1 | Confident | 60.6 | Low | 12 Ų | 12 | 75.1 Ų | 75.1 | 8% | 0.078 | 41% | 0.414 | C | S | . | . | B | Isolated β-bridge | trans | -63.5 | 143.3 | 171.5 | 23.6 | -32.1 | 0 | 0 | 0 | 111.4 | N259 C261 Y268 P275 C302 | N259-P266 HydrophobicContact CB-CG 3.69Å; N259-P266 WeakPolarHBondContact O-CG 3.34Å; C261-P266 WeakPolarHBondContact SG-CA 3.02Å; C261-P266 VanDerWaalsContact SG-N 3.39Å; P266-Y268 HydrophobicContact CB-CE2 4.26Å; P266-Y268 HydrophobicContact CG-CD2 4.4Å; P266-Y268 HydrophobicContact CG-CE1 4.31Å; P266-Y268 HydrophobicContact CG-CE2 3.54Å; P266-Y268 VanDerWaalsContact CG-CZ 3.49Å; P266-Y268 WeakPolarHBondContact CG-OH 3.41Å; P266-Y268 WeakPolarHBondContact O-CD2 3.38Å; P266-P275 HydrophobicContact CB-CB 4.28Å; P266-C302 CarbonylContact C-O 3.5Å; P266-C302 WeakPolarHBondContact CA-O 3.07Å |
| 267 | Y | 70.7 | Confident | 62.7 | Low | 75 Ų | 75 | 78 Ų | 78 | 29% | 0.294 | 41% | 0.405 | S | S | . | . | trans | -74.4 | 124.4 | 166.2 | -172.2 | -82.4 | 0 | 0 | 0 | 108.1 | P275 L276 P286 Y289 C302 | Y267-P275 CarbonylContact O-C 3.52Å; Y267-P275 WeakPolarHBondContact O-CA 3.32Å; Y267-L276 HydrophobicContact CD1-CB 3.55Å; Y267-L276 HydrophobicContact CD1-CD2 3.64Å; Y267-L276 HydrophobicContact CD1-CG 4.22Å; Y267-L276 HydrophobicContact CE1-CB 4.36Å; Y267-L276 HydrophobicContact CE1-CD2 3.99Å; Y267-L276 HydrophobicContact CG-CB 4.3Å; Y267-L276 HydrophobicContact CG-CD2 4.21Å; Y267-L276 PolarHBondContact O-N 2.67Å; Y267-P286 HydrophobicContact CD2-CB 4.37Å; Y267-P286 HydrophobicContact CD2-CG 3.83Å; Y267-P286 HydrophobicContact CE1-CG 4.43Å; Y267-P286 HydrophobicContact CE2-CB 4.12Å; Y267-P286 HydrophobicContact CE2-CG 3.65Å; Y267-P286 HydrophobicContact CG-CG 4.3Å; Y267-Y289 HydrophobicContact CD2-CD1 4.33Å; Y267-Y289 HydrophobicContact CD2-CD2 4.12Å; Y267-Y289 HydrophobicContact CD2-CE1 4.06Å; Y267-Y289 AromaticContact CD2-CE2 3.83Å; Y267-Y289 HydrophobicContact CD2-CE2 3.83Å; Y267-Y289 HydrophobicContact CD2-CG 4.38Å; Y267-Y289 AromaticContact CD2-CZ 3.8Å; Y267-Y289 HydrophobicContact CG-CD1 4.49Å; Y267-Y289 HydrophobicContact CG-CE1 4.33Å; Y267-C302 PolarHBondContact N-O 2.67Å | ||
| 268 | Y | 68.8 | Low | 64.4 | Low | 66 Ų | 66 | 76.9 Ų | 76.9 | 26% | 0.259 | 39% | 0.391 | S | S | . | . | B | Isolated β-bridge | trans | -105.4 | 143.6 | 176.9 | -69.4 | -76.3 | 0 | 0 | 0 | 111 | N259 P266 N273 K274 P275 | N259-Y268 VanDerWaalsContact CB-OH 3.26Å; N259-Y268 WeakPolarHBondContact CB-OH 3.44Å; N259-Y268 VanDerWaalsContact CG-OH 3.26Å; P266-Y268 HydrophobicContact CB-CE2 4.26Å; P266-Y268 HydrophobicContact CG-CD2 4.4Å; P266-Y268 HydrophobicContact CG-CE1 4.31Å; P266-Y268 HydrophobicContact CG-CE2 3.54Å; P266-Y268 VanDerWaalsContact CG-CZ 3.49Å; P266-Y268 WeakPolarHBondContact CG-OH 3.41Å; P266-Y268 WeakPolarHBondContact O-CD2 3.38Å; Y268-N273 WeakPolarHBondContact CD1-O 3.29Å; Y268-N273 WeakPolarHBondContact CE1-O 3.04Å; Y268-K274 WeakPolarHBondContact CA-O 3.26Å; Y268-P275 HydrophobicContact CD1-CB 4.39Å; Y268-P275 HydrophobicContact CE1-CB 4.24Å |
| 269 | Y | 60 | Low | 65.6 | Low | 113 Ų | 113 | 77 Ų | 77 | 44% | 0.443 | 39% | 0.385 | S | S | . | . | trans | -60.7 | 126.8 | 163.1 | -80.8 | -75.9 | 0 | 0 | 0 | 109.3 | N271 T272 N273 K274 L276 | Y269-N271 PolarHBondContact O-N 3.09Å; Y269-T272 VanDerWaalsContact CB-OG1 3.25Å; Y269-T272 WeakPolarHBondContact CB-OG1 3.48Å; Y269-T272 PolarHBondContact O-N 3.34Å; Y269-N273 PolarHBondContact O-N 2.95Å; Y269-N273 VanDerWaalsContact O-N 3.07Å; Y269-K274 PolarHBondContact N-O 2.81Å; Y269-L276 HydrophobicContact CE1-CD1 4.25Å; Y269-L276 HydrophobicContact CE2-CB 4.37Å; Y269-L276 HydrophobicContact CE2-CD1 3.69Å; Y269-L276 VanDerWaalsContact CZ-CD1 3.46Å; Y269-L276 WeakPolarHBondContact OH-CD1 3.41Å | ||
| 270 | P | 51.5 | Low | 66.2 | Low | 103 Ų | 103 | 75.6 Ų | 75.6 | 67% | 0.669 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -26.1 | -177.7 | -22.3 | 30.4 | 0 | 0 | 0 | 113.4 | ||
| 271 | N | 47.5 | Very low | 66.4 | Low | 127 Ų | 127 | 79.7 Ų | 79.7 | 68% | 0.679 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | -28.8 | -168.4 | -46.5 | -11.6 | 0 | 0 | 0 | 112.6 | Y269 | Y269-N271 PolarHBondContact O-N 3.09Š|
| 272 | T | 57 | Low | 66 | Low | 78 Ų | 78 | 86 Ų | 86 | 48% | 0.479 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.3 | -9.4 | -170.8 | 60.6 | 0 | 0 | 0 | 0 | 113.1 | Y269 K274 | Y269-T272 VanDerWaalsContact CB-OG1 3.25Å; Y269-T272 WeakPolarHBondContact CB-OG1 3.48Å; Y269-T272 PolarHBondContact O-N 3.34Å; T272-K274 PolarHBondContact O-N 2.97Å; T272-K274 PolarHBondContact OG1-N 3.43Å |
| 273 | N | 57.5 | Low | 65.9 | Low | 105 Ų | 105 | 84.9 Ų | 84.9 | 56% | 0.561 | 45% | 0.448 | S | S | * | . | trans | 51.6 | 22.5 | -169.3 | -66.9 | -65.9 | 0 | 0 | 0 | 113.2 | Y268 Y269 | Y268-N273 WeakPolarHBondContact CD1-O 3.29Å; Y268-N273 WeakPolarHBondContact CE1-O 3.04Å; Y269-N273 PolarHBondContact O-N 2.95Å; Y269-N273 VanDerWaalsContact O-N 3.07Å | ||
| 274 | K | 63.7 | Low | 66.3 | Low | 143 Ų | 143 | 83 Ų | 83 | 62% | 0.622 | 46% | 0.456 | S | S | * | . | trans | -90.8 | 139.3 | 174.7 | -68.1 | -170.4 | 176.9 | -174.5 | 0 | 110.1 | Y268 Y269 T272 L276 | Y268-K274 WeakPolarHBondContact CA-O 3.26Å; Y269-K274 PolarHBondContact N-O 2.81Å; T272-K274 PolarHBondContact O-N 2.97Å; T272-K274 PolarHBondContact OG1-N 3.43Å; K274-L276 PolarHBondContact O-N 2.55Å | ||
| 275 | P | 69.2 | Low | 66.8 | Low | 24 Ų | 24 | 83.1 Ų | 83.1 | 16% | 0.156 | 45% | 0.453 | C | S | . | . | B | Isolated β-bridge | trans | -61.9 | 139 | 177.5 | 25.8 | -32.6 | 0 | 0 | 0 | 109.6 | P266 Y267 Y268 K277 I299 Q301 | P266-P275 HydrophobicContact CB-CB 4.28Å; Y267-P275 CarbonylContact O-C 3.52Å; Y267-P275 WeakPolarHBondContact O-CA 3.32Å; Y268-P275 HydrophobicContact CD1-CB 4.39Å; Y268-P275 HydrophobicContact CE1-CB 4.24Å; P275-K277 PolarHBondContact O-N 3.22Å; P275-I299 HydrophobicContact CG-CD1 3.99Å; P275-Q301 HydrophobicContact CB-CB 4.17Å |
| 276 | L | 78 | Confident | 67.2 | Low | 22 Ų | 22 | 78.2 Ų | 78.2 | 12% | 0.115 | 44% | 0.439 | C | S | . | . | trans | -67.2 | 108 | 174 | 173.9 | 65.6 | 0 | 0 | 0 | 107.9 | Y267 Y269 K274 P286 Q301 C302 | Y267-L276 HydrophobicContact CD1-CB 3.55Å; Y267-L276 HydrophobicContact CD1-CD2 3.64Å; Y267-L276 HydrophobicContact CD1-CG 4.22Å; Y267-L276 HydrophobicContact CE1-CB 4.36Å; Y267-L276 HydrophobicContact CE1-CD2 3.99Å; Y267-L276 HydrophobicContact CG-CB 4.3Å; Y267-L276 HydrophobicContact CG-CD2 4.21Å; Y267-L276 PolarHBondContact O-N 2.67Å; Y269-L276 HydrophobicContact CE1-CD1 4.25Å; Y269-L276 HydrophobicContact CE2-CB 4.37Å; Y269-L276 HydrophobicContact CE2-CD1 3.69Å; Y269-L276 VanDerWaalsContact CZ-CD1 3.46Å; Y269-L276 WeakPolarHBondContact OH-CD1 3.41Å; K274-L276 PolarHBondContact O-N 2.55Å; L276-P286 HydrophobicContact CD2-CG 4.09Å; L276-Q301 CarbonylContact O-C 3.51Å; L276-Q301 VanDerWaalsContact O-CA 3.24Å; L276-Q301 WeakPolarHBondContact O-CA 3.48Å; L276-C302 HydrophobicContact CB-CB 4.42Å; L276-C302 HydrophobicContact CD2-CB 4.16Å; L276-C302 HydrophobicContact CG-CB 4.41Å; L276-C302 PolarHBondContact O-N 3.02Å | ||
| 277 | K | 79.7 | Confident | 67.5 | Low | 137 Ų | 137 | 89.6 Ų | 89.6 | 60% | 0.596 | 48% | 0.481 | S | S | * | . | B | Isolated β-bridge | trans | -65.7 | 140.5 | 172.5 | -62.5 | -175.6 | 178.8 | -172.9 | 0 | 109.3 | P275 I299 Y300 | P275-K277 PolarHBondContact O-N 3.22Å; K277-I299 HydrophobicContact CG-CD1 4.22Å; K277-Y300 VanDerWaalsContact CA-O 3.29Å; K277-Y300 WeakPolarHBondContact CA-O 3.48Å |
| 278 | C | 79.2 | Confident | 67.6 | Low | 11 Ų | 11 | 88 Ų | 88 | 7% | 0.074 | 49% | 0.486 | C | S | . | . | trans | -133 | 166.8 | 174.4 | 60.4 | 0 | 0 | 0 | 0 | 109.3 | C291 Y300 Q301 | C278-C291 HydrophobicContact CB-CB 3.82Å; C278-C291 WeakPolarHBondContact CB-SG 3.43Å; C278-C291 WeakPolarHBondContact SG-CA 3.39Å; C278-C291 WeakPolarHBondContact SG-CB 3.41Å; C278-C291 CovalentContact SG-SG 2.03Å; C278-C291 PolarHBondContact SG-SG 3.46Å; C278-Y300 PolarHBondContact N-O 3.47Å; C278-Y300 WeakPolarHBondContact O-CB 2.99Å; C278-Y300 VanDerWaalsContact SG-C 3.59Å; C278-Q301 VanDerWaalsContact SG-CA 3.55Å; C278-Q301 PolarHBondContact SG-N 3.42Å; C278-Q301 VanDerWaalsContact SG-N 3.4Å | ||
| 279 | Q | 78.3 | Confident | 68.1 | Low | 106 Ų | 106 | 88.4 Ų | 88.4 | 50% | 0.495 | 49% | 0.488 | S | S | . | . | trans | -129.6 | 127.5 | 169.4 | -175.4 | 172.2 | -37.7 | 0 | 0 | 107.8 | G281 L282 T283 | Q279-G281 PolarHBondContact O-N 2.83Å; Q279-L282 HydrophobicContact CB-CB 3.96Å; Q279-L282 HydrophobicContact CG-CB 4.12Å; Q279-L282 PolarHBondContact O-N 2.88Å; Q279-T283 PolarHBondContact N-OG1 3.34Å; Q279-T283 PolarHBondContact O-N 3.32Å | ||
| 280 | P | 70.7 | Confident | 69 | Low | 69 Ų | 69 | 85.6 Ų | 85.6 | 45% | 0.448 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53 | 124.4 | 176.3 | -23.9 | 32.8 | 0 | 0 | 0 | 110.3 | L282 Y300 | P280-L282 VanDerWaalsContact C-N 3.32Å; P280-L282 PolarHBondContact O-N 3.33Å; P280-Y300 HydrophobicContact CG-CD1 3.53Å; P280-Y300 HydrophobicContact CG-CE1 3.3Å; P280-Y300 HydrophobicContact CG-CE2 4.34Å; P280-Y300 HydrophobicContact CG-CG 4.13Å |
| 281 | G | 64.9 | Low | 70.5 | Confident | 90 Ų | 90 | 82.2 Ų | 82.2 | 93% | 0.928 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.5 | -6.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | Q279 | Q279-G281 PolarHBondContact O-N 2.83Š|
| 282 | L | 57.5 | Low | 72 | Confident | 135 Ų | 135 | 78.2 Ų | 78.2 | 71% | 0.707 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.8 | -40.3 | -178.5 | -131.1 | 80.1 | 0 | 0 | 0 | 113.5 | Q279 P280 | Q279-L282 HydrophobicContact CB-CB 3.96Å; Q279-L282 HydrophobicContact CG-CB 4.12Å; Q279-L282 PolarHBondContact O-N 2.88Å; P280-L282 VanDerWaalsContact C-N 3.32Å; P280-L282 PolarHBondContact O-N 3.33Å |
| 283 | T | 61.6 | Low | 73 | Confident | 63 Ų | 63 | 78.7 Ų | 78.7 | 39% | 0.387 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -115.5 | 112.6 | -176.7 | -36.9 | 0 | 0 | 0 | 0 | 110.1 | Q279 C285 | Q279-T283 PolarHBondContact N-OG1 3.34Å; Q279-T283 PolarHBondContact O-N 3.32Å; T283-C285 PolarHBondContact O-N 3.03Å |
| 284 | A | 71.4 | Confident | 73.6 | Confident | 96 Ų | 96 | 73.7 Ų | 73.7 | 79% | 0.793 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -73 | 127.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 285 | C | 75.6 | Confident | 73.9 | Confident | 25 Ų | 25 | 75.1 Ų | 75.1 | 17% | 0.169 | 42% | 0.419 | C | S | . | . | P | Polyproline II helix | trans | -73.7 | 152.2 | 169.5 | -70.1 | 0 | 0 | 0 | 0 | 110.8 | T283 Y289 C302 | T283-C285 PolarHBondContact O-N 3.03Å; C285-Y289 VanDerWaalsContact CB-O 3.3Å; C285-Y289 WeakPolarHBondContact CB-O 3.5Å; C285-C302 WeakPolarHBondContact CA-SG 3.31Å; C285-C302 HydrophobicContact CB-CB 3.75Å; C285-C302 WeakPolarHBondContact CB-SG 3.44Å; C285-C302 WeakPolarHBondContact SG-CA 3.08Å; C285-C302 WeakPolarHBondContact SG-CB 3.34Å; C285-C302 CovalentContact SG-SG 2.04Å; C285-C302 PolarHBondContact SG-SG 3.27Å |
| 286 | P | 78.7 | Confident | 73.6 | Confident | 42 Ų | 42 | 78.2 Ų | 78.2 | 27% | 0.273 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -55.3 | 155 | 173.1 | -23.8 | 34.2 | 0 | 0 | 0 | 111.6 | Y267 L276 G288 Y289 | Y267-P286 HydrophobicContact CD2-CB 4.37Å; Y267-P286 HydrophobicContact CD2-CG 3.83Å; Y267-P286 HydrophobicContact CE1-CG 4.43Å; Y267-P286 HydrophobicContact CE2-CB 4.12Å; Y267-P286 HydrophobicContact CE2-CG 3.65Å; Y267-P286 HydrophobicContact CG-CG 4.3Å; L276-P286 HydrophobicContact CD2-CG 4.09Å; P286-G288 PolarHBondContact O-N 2.89Å; P286-Y289 HydrophobicContact CB-CD2 4.34Å; P286-Y289 WeakPolarHBondContact O-CB 3.27Å; P286-Y289 PolarHBondContact O-N 3.46Å |
| 287 | R | 76 | Confident | 72.9 | Confident | 252 Ų | 252 | 80.6 Ų | 80.6 | 95% | 0.951 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | 129.4 | 179.3 | -164.7 | 175.3 | 179.6 | 154.9 | 0.4 | 110.5 | ||
| 288 | G | 72.6 | Confident | 72.5 | Confident | 40 Ų | 40 | 81.7 Ų | 81.7 | 41% | 0.412 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.6 | 5.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | P286 S304 V305 | P286-G288 PolarHBondContact O-N 2.89Å; G288-S304 CarbonylContact O-C 3.57Å; G288-S304 WeakPolarHBondContact O-CA 3.37Å; G288-V305 WeakPolarHBondContact O-CG2 3.42Å; G288-V305 PolarHBondContact O-N 2.89Å |
| 289 | Y | 79 | Confident | 72.2 | Confident | 76 Ų | 76 | 83.1 Ų | 83.1 | 30% | 0.298 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 143.9 | 172.9 | -67.6 | -104 | 0 | 0 | 0 | 110.6 | R265 Y267 C285 P286 C302 C303 | R265-Y289 WeakPolarHBondContact O-CE1 3.37Å; Y267-Y289 HydrophobicContact CD2-CD1 4.33Å; Y267-Y289 HydrophobicContact CD2-CD2 4.12Å; Y267-Y289 HydrophobicContact CD2-CE1 4.06Å; Y267-Y289 AromaticContact CD2-CE2 3.83Å; Y267-Y289 HydrophobicContact CD2-CE2 3.83Å; Y267-Y289 HydrophobicContact CD2-CG 4.38Å; Y267-Y289 AromaticContact CD2-CZ 3.8Å; Y267-Y289 HydrophobicContact CG-CD1 4.49Å; Y267-Y289 HydrophobicContact CG-CE1 4.33Å; C285-Y289 VanDerWaalsContact CB-O 3.3Å; C285-Y289 WeakPolarHBondContact CB-O 3.5Å; P286-Y289 HydrophobicContact CB-CD2 4.34Å; P286-Y289 WeakPolarHBondContact O-CB 3.27Å; P286-Y289 PolarHBondContact O-N 3.46Å; Y289-C302 HydrophobicContact CD1-CB 4.45Å; Y289-C303 CarbonylContact C-O 3.58Å; Y289-C303 WeakPolarHBondContact CA-O 3.36Å |
| 290 | S | 80.2 | Confident | 72.3 | Confident | 54 Ų | 54 | 83 Ų | 83 | 38% | 0.378 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 149.8 | 173.6 | -169.6 | 0 | 0 | 0 | 0 | 110 | I292 C302 C303 | S290-I292 PolarHBondContact O-N 2.9Å; S290-C302 CarbonylContact O-C 3.52Å; S290-C302 WeakPolarHBondContact O-CA 3Å; S290-C303 PolarHBondContact N-O 2.05Å; S290-C303 PolarHBondContact O-N 2.03Å |
| 291 | C | 81.9 | Confident | 72.7 | Confident | 31 Ų | 31 | 79.7 Ų | 79.7 | 21% | 0.209 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 108 | 177.7 | -173.1 | 0 | 0 | 0 | 0 | 109.2 | C278 | C278-C291 HydrophobicContact CB-CB 3.82Å; C278-C291 WeakPolarHBondContact CB-SG 3.43Å; C278-C291 WeakPolarHBondContact SG-CA 3.39Å; C278-C291 WeakPolarHBondContact SG-CB 3.41Å; C278-C291 CovalentContact SG-SG 2.03Å; C278-C291 PolarHBondContact SG-SG 3.46Å |
| 292 | I | 80.4 | Confident | 73.5 | Confident | 44 Ų | 44 | 75.4 Ų | 75.4 | 23% | 0.226 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 141.2 | -176.2 | -51.3 | -177 | 0 | 0 | 0 | 109.3 | P262 S290 S294 Q301 C303 | P262-I292 VanDerWaalsContact CD-CG2 3.5Å; P262-I292 HydrophobicContact CG-CG2 3.46Å; P262-I292 VanDerWaalsContact CG-CG2 3.46Å; S290-I292 PolarHBondContact O-N 2.9Å; I292-S294 PolarHBondContact O-N 2.91Å; I292-Q301 PolarHBondContact N-O 2.78Å; I292-Q301 PolarHBondContact O-N 2.97Å; I292-Q301 VanDerWaalsContact O-O 3.09Å; I292-C303 HydrophobicContact CB-CB 4.08Å; I292-C303 HydrophobicContact CD1-CB 3.61Å; I292-C303 HydrophobicContact CG1-CB 3.89Å |
| 293 | F | 77.2 | Confident | 74.6 | Confident | 88 Ų | 88 | 69 Ų | 69 | 39% | 0.386 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 127.7 | 174.3 | -173.6 | -102.9 | 0 | 0 | 0 | 110.9 | Q295 Q298 Y300 | F293-Q295 HydrophobicContact CD1-CG 4.49Å; F293-Q298 HydrophobicContact CZ-CB 4.45Å; F293-Y300 HydrophobicContact CB-CD1 4.04Å; F293-Y300 HydrophobicContact CB-CE1 3.75Å; F293-Y300 HydrophobicContact CD2-CD1 4.37Å; F293-Y300 AromaticContact CD2-CD2 3.88Å; F293-Y300 HydrophobicContact CD2-CD2 3.88Å; F293-Y300 HydrophobicContact CD2-CE1 4.25Å; F293-Y300 AromaticContact CD2-CE2 3.74Å; F293-Y300 HydrophobicContact CD2-CE2 3.74Å; F293-Y300 HydrophobicContact CD2-CG 4.19Å; F293-Y300 AromaticContact CD2-CZ 3.93Å; F293-Y300 HydrophobicContact CE2-CE2 4.41Å; F293-Y300 HydrophobicContact CG-CE1 4.48Å |
| 294 | S | 70.9 | Confident | 75.4 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 111.6 | 174.3 | -175.2 | 0 | 0 | 0 | 0 | 111.1 | G260 I292 T296 N297 Q298 I299 | G260-S294 WeakPolarHBondContact CA-OG 3.26Å; G260-S294 WeakPolarHBondContact O-CA 3.44Å; G260-S294 WeakPolarHBondContact O-CB 3.16Å; G260-S294 PolarHBondContact O-OG 2.93Å; I292-S294 PolarHBondContact O-N 2.91Å; S294-T296 VanDerWaalsContact C-N 3.28Å; S294-T296 PolarHBondContact O-N 3.42Å; S294-N297 WeakPolarHBondContact OG-CB 3.49Å; S294-N297 PolarHBondContact OG-N 3.07Å; S294-Q298 WeakPolarHBondContact O-CA 3.08Å; S294-Q298 PolarHBondContact O-N 2.83Å; S294-I299 WeakPolarHBondContact CB-O 3.28Å; S294-I299 PolarHBondContact N-O 3.44Å |
| 295 | Q | 68.3 | Low | 75.4 | Confident | 172 Ų | 172 | 65.8 Ų | 65.8 | 80% | 0.804 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -34.1 | 171.6 | -68.2 | -175.2 | -10 | 0 | 0 | 111.9 | F293 | F293-Q295 HydrophobicContact CD1-CG 4.49Š|
| 296 | T | 63.9 | Low | 74.6 | Confident | 89 Ų | 89 | 67.7 Ų | 67.7 | 55% | 0.546 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -42.8 | -179.8 | -42.7 | 0 | 0 | 0 | 0 | 112.8 | S294 | S294-T296 VanDerWaalsContact C-N 3.28Å; S294-T296 PolarHBondContact O-N 3.42Å |
| 297 | N | 63.1 | Low | 73 | Confident | 73 Ų | 73 | 72.5 Ų | 72.5 | 39% | 0.39 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | -1.9 | -173.7 | -61.8 | -35.1 | 0 | 0 | 0 | 113 | S294 I299 Q301 | S294-N297 WeakPolarHBondContact OG-CB 3.49Å; S294-N297 PolarHBondContact OG-N 3.07Å; N297-I299 HydrophobicContact CB-CD1 3.95Å; N297-I299 HydrophobicContact CB-CG1 3.6Å; N297-I299 WeakPolarHBondContact O-CG2 3.46Å; N297-I299 PolarHBondContact O-N 3.15Å; N297-I299 VanDerWaalsContact O-N 3.14Å; N297-Q301 PolarHBondContact ND2-OE1 2.96Å |
| 298 | Q | 71.1 | Confident | 71.2 | Confident | 159 Ų | 159 | 64.4 Ų | 64.4 | 74% | 0.743 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.6 | 33.7 | -174.4 | -62.1 | -170.3 | -16.7 | 0 | 0 | 114.3 | F293 S294 | F293-Q298 HydrophobicContact CZ-CB 4.45Å; S294-Q298 WeakPolarHBondContact O-CA 3.08Å; S294-Q298 PolarHBondContact O-N 2.83Å |
| 299 | I | 72.5 | Confident | 69.3 | Low | 41 Ų | 41 | 70.6 Ų | 70.6 | 21% | 0.21 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 149.4 | -179.3 | 56.8 | 172.8 | 0 | 0 | 0 | 110.6 | P275 K277 S294 N297 | P275-I299 HydrophobicContact CG-CD1 3.99Å; K277-I299 HydrophobicContact CG-CD1 4.22Å; S294-I299 WeakPolarHBondContact CB-O 3.28Å; S294-I299 PolarHBondContact N-O 3.44Å; N297-I299 HydrophobicContact CB-CD1 3.95Å; N297-I299 HydrophobicContact CB-CG1 3.6Å; N297-I299 WeakPolarHBondContact O-CG2 3.46Å; N297-I299 PolarHBondContact O-N 3.15Å; N297-I299 VanDerWaalsContact O-N 3.14Å |
| 300 | Y | 80.5 | Confident | 67.3 | Low | 103 Ų | 103 | 71.9 Ų | 71.9 | 40% | 0.404 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 126.9 | 164.2 | -78.4 | -83.6 | 0 | 0 | 0 | 109.7 | K277 C278 P280 F293 | K277-Y300 VanDerWaalsContact CA-O 3.29Å; K277-Y300 WeakPolarHBondContact CA-O 3.48Å; C278-Y300 PolarHBondContact N-O 3.47Å; C278-Y300 WeakPolarHBondContact O-CB 2.99Å; C278-Y300 VanDerWaalsContact SG-C 3.59Å; P280-Y300 HydrophobicContact CG-CD1 3.53Å; P280-Y300 HydrophobicContact CG-CE1 3.3Å; P280-Y300 HydrophobicContact CG-CE2 4.34Å; P280-Y300 HydrophobicContact CG-CG 4.13Å; F293-Y300 HydrophobicContact CB-CD1 4.04Å; F293-Y300 HydrophobicContact CB-CE1 3.75Å; F293-Y300 HydrophobicContact CD2-CD1 4.37Å; F293-Y300 AromaticContact CD2-CD2 3.88Å; F293-Y300 HydrophobicContact CD2-CD2 3.88Å; F293-Y300 HydrophobicContact CD2-CE1 4.25Å; F293-Y300 AromaticContact CD2-CE2 3.74Å; F293-Y300 HydrophobicContact CD2-CE2 3.74Å; F293-Y300 HydrophobicContact CD2-CG 4.19Å; F293-Y300 AromaticContact CD2-CZ 3.93Å; F293-Y300 HydrophobicContact CE2-CE2 4.41Å; F293-Y300 HydrophobicContact CG-CE1 4.48Å |
| 301 | Q | 80.3 | Confident | 65 | Low | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 152.3 | -179.5 | 60.8 | -179.2 | 37.2 | 0 | 0 | 111.7 | N259 G260 C261 P275 L276 C278 I292 N297 C303 | N259-Q301 PolarHBondContact O-NE2 2.71Å; G260-Q301 PolarHBondContact O-NE2 3.25Å; C261-Q301 PolarHBondContact SG-NE2 3.04Å; P275-Q301 HydrophobicContact CB-CB 4.17Å; L276-Q301 CarbonylContact O-C 3.51Å; L276-Q301 VanDerWaalsContact O-CA 3.24Å; L276-Q301 WeakPolarHBondContact O-CA 3.48Å; C278-Q301 VanDerWaalsContact SG-CA 3.55Å; C278-Q301 PolarHBondContact SG-N 3.42Å; C278-Q301 VanDerWaalsContact SG-N 3.4Å; I292-Q301 PolarHBondContact N-O 2.78Å; I292-Q301 PolarHBondContact O-N 2.97Å; I292-Q301 VanDerWaalsContact O-O 3.09Å; N297-Q301 PolarHBondContact ND2-OE1 2.96Å; Q301-C303 PolarHBondContact O-N 3.24Å |
| 302 | C | 81.7 | Confident | 62.9 | Low | 0 Ų | 0 | 78.1 Ų | 78.1 | 0% | 0 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 116.8 | 178.4 | -68.6 | 0 | 0 | 0 | 0 | 110.5 | P266 Y267 L276 C285 Y289 S290 | P266-C302 CarbonylContact C-O 3.5Å; P266-C302 WeakPolarHBondContact CA-O 3.07Å; Y267-C302 PolarHBondContact N-O 2.67Å; L276-C302 HydrophobicContact CB-CB 4.42Å; L276-C302 HydrophobicContact CD2-CB 4.16Å; L276-C302 HydrophobicContact CG-CB 4.41Å; L276-C302 PolarHBondContact O-N 3.02Å; C285-C302 WeakPolarHBondContact CA-SG 3.31Å; C285-C302 HydrophobicContact CB-CB 3.75Å; C285-C302 WeakPolarHBondContact CB-SG 3.44Å; C285-C302 WeakPolarHBondContact SG-CA 3.08Å; C285-C302 WeakPolarHBondContact SG-CB 3.34Å; C285-C302 CovalentContact SG-SG 2.04Å; C285-C302 PolarHBondContact SG-SG 3.27Å; Y289-C302 HydrophobicContact CD1-CB 4.45Å; S290-C302 CarbonylContact O-C 3.52Å; S290-C302 WeakPolarHBondContact O-CA 3Å |
| 303 | C | 78.8 | Confident | 60.6 | Low | 0 Ų | 0 | 87.3 Ų | 87.3 | 0% | 0 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 137.4 | -178.5 | -64.4 | 0 | 0 | 0 | 0 | 110.4 | C261 R265 Y289 S290 I292 Q301 V305 | C261-C303 VanDerWaalsContact CA-SG 3.54Å; C261-C303 HydrophobicContact CB-CB 3.66Å; C261-C303 WeakPolarHBondContact CB-SG 3.35Å; C261-C303 VanDerWaalsContact SG-CA 3.51Å; C261-C303 WeakPolarHBondContact SG-CB 3.47Å; C261-C303 CovalentContact SG-SG 2.01Å; C261-C303 PolarHBondContact SG-SG 3.04Å; R265-C303 CarbonylContact O-C 3.51Å; R265-C303 WeakPolarHBondContact O-CA 3.44Å; Y289-C303 CarbonylContact C-O 3.58Å; Y289-C303 WeakPolarHBondContact CA-O 3.36Å; S290-C303 PolarHBondContact N-O 2.05Å; S290-C303 PolarHBondContact O-N 2.03Å; I292-C303 HydrophobicContact CB-CB 4.08Å; I292-C303 HydrophobicContact CD1-CB 3.61Å; I292-C303 HydrophobicContact CG1-CB 3.89Å; Q301-C303 PolarHBondContact O-N 3.24Å; C303-V305 PolarHBondContact O-N 3.01Å |
| 304 | S | 80.1 | Confident | 59.1 | Low | 25 Ų | 25 | 92.2 Ų | 92.2 | 18% | 0.175 | 52% | 0.52 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 128.6 | -179.1 | 69.5 | 0 | 0 | 0 | 0 | 109.7 | G264 R265 G288 S306 | G264-S304 VanDerWaalsContact CA-OG 3.25Å; G264-S304 WeakPolarHBondContact CA-OG 3.49Å; R265-S304 PolarHBondContact N-OG 3.28Å; R265-S304 PolarHBondContact O-N 3Å; G288-S304 CarbonylContact O-C 3.57Å; G288-S304 WeakPolarHBondContact O-CA 3.37Å; S304-S306 PolarHBondContact O-N 3.09Å |
| 305 | V | 70.1 | Confident | 58.5 | Low | 68 Ų | 68 | 96.8 Ų | 96.8 | 41% | 0.412 | 55% | 0.546 | S | S | . | . | trans | -72 | 105.8 | 169.3 | -69.2 | 0 | 0 | 0 | 0 | 107.5 | G288 C303 N307 | G288-V305 WeakPolarHBondContact O-CG2 3.42Å; G288-V305 PolarHBondContact O-N 2.89Å; C303-V305 PolarHBondContact O-N 3.01Å; V305-N307 VanDerWaalsContact C-N 3.33Å; V305-N307 PolarHBondContact O-N 3.12Å | ||
| 306 | S | 58.5 | Low | 58 | Low | 64 Ų | 64 | 92.8 Ų | 92.8 | 45% | 0.448 | 53% | 0.533 | S | S | . | . | trans | -64.9 | 102.9 | 162.4 | 39.5 | 0 | 0 | 0 | 0 | 105.7 | S304 A308 | S304-S306 PolarHBondContact O-N 3.09Å; S306-A308 PolarHBondContact O-N 2.85Å | ||
| 307 | N | 45.4 | Very low | 57.7 | Low | 144 Ų | 144 | 93.1 Ų | 93.1 | 77% | 0.77 | 53% | 0.532 | S | S | * | . | trans | -60.9 | 85.3 | 159 | -84.1 | -33.7 | 0 | 0 | 0 | 106.3 | V305 I309 | V305-N307 VanDerWaalsContact C-N 3.33Å; V305-N307 PolarHBondContact O-N 3.12Å; N307-I309 PolarHBondContact O-N 2.89Å | ||
| 308 | A | 38.1 | Very low | 57.4 | Low | 81 Ų | 81 | 94.2 Ų | 94.2 | 67% | 0.669 | 54% | 0.54 | S | S | * | . | trans | -66.2 | 88.2 | 156.3 | 0 | 0 | 0 | 0 | 0 | 105 | S306 S310 | S306-A308 PolarHBondContact O-N 2.85Å; A308-S310 PolarHBondContact O-N 2.93Å | ||
| 309 | I | 34.2 | Very low | 56.5 | Low | 170 Ų | 170 | 90.2 Ų | 90.2 | 87% | 0.872 | 53% | 0.527 | S | S | * | . | trans | -62.5 | 86.9 | 151.6 | -59.3 | 173.2 | 0 | 0 | 0 | 104.4 | N307 | N307-I309 PolarHBondContact O-N 2.89Š| ||
| 310 | S | 36.5 | Very low | 55.5 | Low | 104 Ų | 104 | 93.5 Ų | 93.5 | 73% | 0.727 | 55% | 0.549 | S | S | * | . | trans | -149.5 | 89.5 | 166.8 | -152.2 | 0 | 0 | 0 | 0 | 102.5 | A308 | A308-S310 PolarHBondContact O-N 2.93Š| ||
| 311 | G | 31.2 | Very low | 53.7 | Low | 72 Ų | 72 | 92.8 Ų | 92.8 | 74% | 0.742 | 56% | 0.559 | S | S | * | * | 98.3 | 62.5 | 69.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 312 | T | 39.3 | Very low | 51.6 | Low | 143 Ų | 143 | 99.9 Ų | 99.9 | 88% | 0.877 | 60% | 0.602 | S | S | * | * | trans | -141.3 | 107 | 159.5 | 1.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 313 | R | 31.3 | Very low | 49.1 | Very low | 238 Ų | 238 | 108.3 Ų | 108.3 | 90% | 0.898 | 65% | 0.652 | S | S | * | * | trans | -93.6 | 157 | 168.1 | 160.1 | -170.9 | 164.9 | -139.7 | -3.3 | 106.5 | ||||
| 314 | P | 46 | Very low | 46.4 | Very low | 190 Ų | 190 | 118.1 Ų | 118.1 | 100% | 1.234 | 71% | 0.711 | S | S | * | * | cis | -88.6 | 0 | -37.3 | 16.6 | 4.6 | 0 | 0 | 0 | 112.4 |
Retrieved 314 of 314 residues in 126.6 ms
(Link to these results)