| 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 | 46.6 | Very low | 70.8 | Confident | 243 Ų | 243 | 115.3 Ų | 115.3 | 100% | 1.197 | 58% | 0.576 | S | S | * | * | 0 | 114.1 | 0 | -94.4 | 164.5 | 164.2 | 0 | 0 | 107.9 | S3 | M1-S3 PolarHBondContact O-N 3.41Å; M1-S3 VanDerWaalsContact O-N 3.11Å | |||
| 2 | F | 51.3 | Low | 71.7 | Confident | 210 Ų | 210 | 109.1 Ų | 109.1 | 92% | 0.921 | 56% | 0.556 | S | S | * | * | trans | -60.8 | 114.1 | 168.6 | -75.7 | -88.1 | 0 | 0 | 0 | 106.8 | E4 | F2-E4 PolarHBondContact O-N 3.39Š| ||
| 3 | S | 59.7 | Low | 72.7 | Confident | 82 Ų | 82 | 103.6 Ų | 103.6 | 57% | 0.573 | 53% | 0.533 | S | S | * | . | trans | -53.3 | 124.4 | 177 | 47 | 0 | 0 | 0 | 0 | 108.6 | M1 C5 | M1-S3 PolarHBondContact O-N 3.41Å; M1-S3 VanDerWaalsContact O-N 3.11Å; S3-C5 PolarHBondContact O-N 2.75Å; S3-C5 VanDerWaalsContact O-N 3.07Å | ||
| 4 | E | 64.9 | Low | 73.4 | Confident | 182 Ų | 182 | 108.5 Ų | 108.5 | 85% | 0.85 | 55% | 0.549 | S | S | * | . | trans | -45 | 120.3 | 176.2 | -68.2 | 178.9 | 105.2 | 0 | 0 | 108.9 | F2 K6 | F2-E4 PolarHBondContact O-N 3.39Å; E4-K6 PolarHBondContact O-N 3.27Å; E4-K6 VanDerWaalsContact O-N 3.15Å | ||
| 5 | C | 69.6 | Low | 73.7 | Confident | 49 Ų | 49 | 105.5 Ų | 105.5 | 33% | 0.331 | 54% | 0.542 | S | S | . | . | trans | -66.9 | 121.6 | -178.6 | -170.9 | 0 | 0 | 0 | 0 | 108.8 | S3 I7 C13 | S3-C5 PolarHBondContact O-N 2.75Å; S3-C5 VanDerWaalsContact O-N 3.07Å; C5-I7 PolarHBondContact O-N 3.42Å; C5-I7 VanDerWaalsContact SG-CG1 3.53Å; C5-C13 HydrophobicContact CB-CB 3.68Å; C5-C13 WeakPolarHBondContact CB-SG 3.39Å; C5-C13 WeakPolarHBondContact SG-CB 3.23Å; C5-C13 CovalentContact SG-SG 1.97Å; C5-C13 PolarHBondContact SG-SG 2.86Å | ||
| 6 | K | 76.7 | Confident | 74 | Confident | 180 Ų | 180 | 109.6 Ų | 109.6 | 78% | 0.783 | 55% | 0.549 | S | S | * | . | trans | -84.3 | 12.9 | 179.7 | -63.9 | -171.5 | 176.8 | -169.9 | 0 | 113.1 | E4 | E4-K6 PolarHBondContact O-N 3.27Å; E4-K6 VanDerWaalsContact O-N 3.15Å | ||
| 7 | I | 78.6 | Confident | 74.3 | Confident | 24 Ų | 24 | 110.1 Ų | 110.1 | 12% | 0.123 | 55% | 0.553 | C | S | . | * | S | Bend | trans | -93.8 | 123.4 | -177.2 | -55.2 | 173.5 | 0 | 0 | 0 | 108.4 | C5 C10 C13 R16 N17 F18 C19 | C5-I7 PolarHBondContact O-N 3.42Å; C5-I7 VanDerWaalsContact SG-CG1 3.53Å; I7-C10 HydrophobicContact CB-CB 4.02Å; I7-C10 HydrophobicContact CG2-CB 4.07Å; I7-C10 PolarHBondContact O-N 3.39Å; I7-C13 HydrophobicContact CD1-CB 4.4Å; I7-R16 WeakPolarHBondContact CG1-O 3.45Å; I7-N17 VanDerWaalsContact CD1-C 3.46Å; I7-F18 VanDerWaalsContact CD1-N 3.28Å; I7-C19 HydrophobicContact CD1-CB 4.14Å; I7-C19 HydrophobicContact CG2-CB 4.24Å |
| 8 | D | 79.3 | Confident | 74.8 | Confident | 129 Ų | 129 | 109.5 Ų | 109.5 | 69% | 0.69 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 136.1 | 176.5 | -104 | -79.9 | 0 | 0 | 0 | 111.9 | C10 | D8-C10 PolarHBondContact O-N 2.91Š|
| 9 | N | 80.6 | Confident | 75.4 | Confident | 57 Ų | 57 | 104.2 Ų | 104.2 | 31% | 0.305 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.1 | 27.5 | 175.9 | -55.3 | -62.1 | 0 | 0 | 0 | 115.8 | K23 L26 C33 | N9-K23 PolarHBondContact O-N 3.45Å; N9-L26 HydrophobicContact CB-CD1 3.85Å; N9-L26 HydrophobicContact CB-CD2 3.53Å; N9-L26 HydrophobicContact CB-CG 4.32Å; N9-C33 HydrophobicContact CB-CB 3.99Å; N9-C33 PolarHBondContact O-SG 2.96Å; N9-C33 VanDerWaalsContact O-SG 3.39Å |
| 10 | C | 85.4 | Confident | 75.8 | Confident | 18 Ų | 18 | 103.4 Ų | 103.4 | 12% | 0.122 | 52% | 0.522 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 135.3 | 178.2 | -170 | 0 | 0 | 0 | 0 | 113.1 | I7 D8 A12 C13 C19 K21 | I7-C10 HydrophobicContact CB-CB 4.02Å; I7-C10 HydrophobicContact CG2-CB 4.07Å; I7-C10 PolarHBondContact O-N 3.39Å; D8-C10 PolarHBondContact O-N 2.91Å; C10-A12 VanDerWaalsContact SG-C 3.56Å; C10-A12 PolarHBondContact SG-O 2.03Å; C10-C13 PolarHBondContact SG-SG 3.27Å; C10-C19 HydrophobicContact CB-CB 3.86Å; C10-C19 WeakPolarHBondContact CB-SG 3.34Å; C10-C19 VanDerWaalsContact SG-CA 3.52Å; C10-C19 WeakPolarHBondContact SG-CB 3.41Å; C10-C19 CovalentContact SG-SG 2.01Å; C10-C19 PolarHBondContact SG-SG 2.01Å; C10-K21 PolarHBondContact SG-O 2.75Å |
| 11 | E | 85.9 | Confident | 76.2 | Confident | 94 Ų | 94 | 103.8 Ų | 103.8 | 44% | 0.439 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | -39.3 | 175.4 | -66.5 | -174.8 | -177.7 | 0 | 0 | 112.7 | K21 K23 | E11-K21 HydrophobicContact CB-CB 4.42Å; E11-K21 HydrophobicContact CB-CD 4.35Å; E11-K21 HydrophobicContact CB-CG 4.44Å; E11-K21 PolarHBondContact N-O 3.38Å; E11-K21 WeakPolarHBondContact OE2-CD 3.45Å; E11-K21 VanDerWaalsContact OE2-CE 3.26Å; E11-K21 WeakPolarHBondContact OE2-CE 3.27Å; E11-K21 IonicContact OE2-NZ 3.99Å; E11-K21 PolarHBondContact OE2-NZ 2.9Å; E11-K23 HydrophobicContact CG-CB 4.25Å; E11-K23 HydrophobicContact CG-CG 3.63Å; E11-K23 WeakPolarHBondContact OE1-CA 3.4Å |
| 12 | A | 82.2 | Confident | 78 | Confident | 41 Ų | 41 | 93.2 Ų | 93.2 | 34% | 0.339 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 134.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | C10 T20 K21 | C10-A12 VanDerWaalsContact SG-C 3.56Å; C10-A12 PolarHBondContact SG-O 2.03Å; A12-T20 PolarHBondContact O-N 3.1Å; A12-T20 PolarHBondContact O-OG1 2.88Å; A12-K21 HydrophobicContact CB-CB 3.88Å; A12-K21 PolarHBondContact N-O 3.06Å; A12-K21 PolarHBondContact O-N 3.07Å |
| 13 | C | 84.8 | Confident | 79.7 | Confident | 38 Ų | 38 | 88.1 Ų | 88.1 | 26% | 0.257 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 136.8 | -178.4 | -57.4 | 0 | 0 | 0 | 0 | 111.2 | C5 I7 C10 F18 | C5-C13 HydrophobicContact CB-CB 3.68Å; C5-C13 WeakPolarHBondContact CB-SG 3.39Å; C5-C13 WeakPolarHBondContact SG-CB 3.23Å; C5-C13 CovalentContact SG-SG 1.97Å; C5-C13 PolarHBondContact SG-SG 2.86Å; I7-C13 HydrophobicContact CD1-CB 4.4Å; C10-C13 PolarHBondContact SG-SG 3.27Å; C13-F18 CarbonylContact C-O 3.58Å; C13-F18 WeakPolarHBondContact CA-O 3.04Å |
| 14 | F | 81.8 | Confident | 80.6 | Confident | 172 Ų | 172 | 92.8 Ų | 92.8 | 75% | 0.754 | 46% | 0.46 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.9 | -32 | 170.1 | -177.7 | -106 | 0 | 0 | 0 | 111.6 | F18 T20 | F14-F18 HydrophobicContact CB-CD1 3.97Å; F14-F18 PolarHBondContact N-O 3.41Å; F14-T20 HydrophobicContact CB-CG2 3.62Å |
| 15 | S | 78.9 | Confident | 81.2 | Confident | 64 Ų | 64 | 86.4 Ų | 86.4 | 45% | 0.448 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 172.8 | 179.3 | -175.1 | 0 | 0 | 0 | 0 | 110.6 | N17 F18 | S15-N17 PolarHBondContact O-N 2.84Å; S15-F18 PolarHBondContact N-O 3.08Å; S15-F18 PolarHBondContact O-N 2.98Å |
| 16 | R | 77.7 | Confident | 81.8 | Confident | 171 Ų | 171 | 85 Ų | 85 | 65% | 0.645 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -16.6 | 176.6 | -65.6 | -179 | -178.7 | 174.5 | 1 | 113.7 | I7 | I7-R16 WeakPolarHBondContact CG1-O 3.45Š|
| 17 | N | 79.1 | Confident | 82.1 | Confident | 117 Ų | 117 | 80.2 Ų | 80.2 | 63% | 0.626 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.2 | -1.6 | -177.9 | -62.4 | -55.8 | 0 | 0 | 0 | 114.3 | I7 S15 | I7-N17 VanDerWaalsContact CD1-C 3.46Å; S15-N17 PolarHBondContact O-N 2.84Å |
| 18 | F | 83.1 | Confident | 82.2 | Confident | 100 Ų | 100 | 80.7 Ų | 80.7 | 44% | 0.439 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 107.9 | -175.5 | -165.3 | -84.2 | 0 | 0 | 0 | 111.1 | I7 C13 F14 S15 T20 | I7-F18 VanDerWaalsContact CD1-N 3.28Å; C13-F18 CarbonylContact C-O 3.58Å; C13-F18 WeakPolarHBondContact CA-O 3.04Å; F14-F18 HydrophobicContact CB-CD1 3.97Å; F14-F18 PolarHBondContact N-O 3.41Å; S15-F18 PolarHBondContact N-O 3.08Å; S15-F18 PolarHBondContact O-N 2.98Å; F18-T20 HydrophobicContact CD1-CG2 4.07Å; F18-T20 HydrophobicContact CE1-CG2 4.03Å |
| 19 | C | 85.9 | Confident | 82.3 | Confident | 8 Ų | 8 | 75.8 Ų | 75.8 | 5% | 0.054 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 128 | 171.7 | -175.6 | 0 | 0 | 0 | 0 | 110.1 | I7 C10 K21 G31 C33 | I7-C19 HydrophobicContact CD1-CB 4.14Å; I7-C19 HydrophobicContact CG2-CB 4.24Å; C10-C19 HydrophobicContact CB-CB 3.86Å; C10-C19 WeakPolarHBondContact CB-SG 3.34Å; C10-C19 VanDerWaalsContact SG-CA 3.52Å; C10-C19 WeakPolarHBondContact SG-CB 3.41Å; C10-C19 CovalentContact SG-SG 2.01Å; C10-C19 PolarHBondContact SG-SG 2.01Å; C19-K21 PolarHBondContact SG-O 2.84Å; C19-G31 WeakPolarHBondContact CB-O 3.24Å; C19-G31 PolarHBondContact N-O 2.87Å; C19-C33 PolarHBondContact SG-SG 3.38Å |
| 20 | T | 83.9 | Confident | 82.3 | Confident | 88 Ų | 88 | 77.4 Ų | 77.4 | 54% | 0.54 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | -23 | 173.2 | 49.2 | 0 | 0 | 0 | 0 | 112.6 | A12 F14 F18 | A12-T20 PolarHBondContact O-N 3.1Å; A12-T20 PolarHBondContact O-OG1 2.88Å; F14-T20 HydrophobicContact CB-CG2 3.62Å; F18-T20 HydrophobicContact CD1-CG2 4.07Å; F18-T20 HydrophobicContact CE1-CG2 4.03Å |
| 21 | K | 83.8 | Confident | 82 | Confident | 113 Ų | 113 | 77 Ų | 77 | 49% | 0.491 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 113.5 | 177.7 | -164.8 | -174.8 | -178 | -146.4 | 0 | 111 | C10 E11 A12 C19 | C10-K21 PolarHBondContact SG-O 2.75Å; E11-K21 HydrophobicContact CB-CB 4.42Å; E11-K21 HydrophobicContact CB-CD 4.35Å; E11-K21 HydrophobicContact CB-CG 4.44Å; E11-K21 PolarHBondContact N-O 3.38Å; E11-K21 WeakPolarHBondContact OE2-CD 3.45Å; E11-K21 VanDerWaalsContact OE2-CE 3.26Å; E11-K21 WeakPolarHBondContact OE2-CE 3.27Å; E11-K21 IonicContact OE2-NZ 3.99Å; E11-K21 PolarHBondContact OE2-NZ 2.9Å; A12-K21 HydrophobicContact CB-CB 3.88Å; A12-K21 PolarHBondContact N-O 3.06Å; A12-K21 PolarHBondContact O-N 3.07Å; C19-K21 PolarHBondContact SG-O 2.84Å |
| 22 | C | 85.9 | Confident | 81.9 | Confident | 21 Ų | 21 | 79 Ų | 79 | 14% | 0.142 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 157.4 | 171.5 | -66.1 | 0 | 0 | 0 | 0 | 111.2 | L26 C33 | C22-L26 HydrophobicContact CB-CB 4.26Å; C22-C33 WeakPolarHBondContact CA-SG 3.33Å; C22-C33 HydrophobicContact CB-CB 3.76Å; C22-C33 WeakPolarHBondContact CB-SG 2.99Å; C22-C33 VanDerWaalsContact SG-CA 3.51Å; C22-C33 WeakPolarHBondContact SG-CB 2.99Å; C22-C33 CovalentContact SG-SG 2.02Å; C22-C33 PolarHBondContact SG-SG 3.29Å |
| 23 | K | 85.3 | Confident | 82.1 | Confident | 103 Ų | 103 | 77.6 Ų | 77.6 | 45% | 0.448 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 153.4 | 169.9 | -64.7 | 175.2 | 178.5 | -178.9 | 0 | 110.7 | N9 E11 G25 L26 | N9-K23 PolarHBondContact O-N 3.45Å; E11-K23 HydrophobicContact CG-CB 4.25Å; E11-K23 HydrophobicContact CG-CG 3.63Å; E11-K23 WeakPolarHBondContact OE1-CA 3.4Å; K23-G25 PolarHBondContact O-N 3.38Å; K23-L26 HydrophobicContact CB-CD1 3.51Å; K23-L26 WeakPolarHBondContact O-CD1 3.07Å; K23-L26 PolarHBondContact O-N 2.85Å |
| 24 | E | 80.4 | Confident | 82 | Confident | 179 Ų | 179 | 79.9 Ų | 79.9 | 84% | 0.836 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | 133.2 | -179.6 | -65.4 | -172.6 | 165.2 | 0 | 0 | 112 | L26 | E24-L26 VanDerWaalsContact C-N 3.35Š|
| 25 | G | 76.3 | Confident | 82 | Confident | 49 Ų | 49 | 77.1 Ų | 77.1 | 51% | 0.505 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.8 | 4.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | K23 | K23-G25 PolarHBondContact O-N 3.38Š|
| 26 | L | 82.3 | Confident | 81.9 | Confident | 20 Ų | 20 | 78 Ų | 78 | 11% | 0.105 | 40% | 0.4 | C | S | . | . | P | Polyproline II helix | trans | -101.4 | 150.9 | 170.2 | -69 | 117.7 | 0 | 0 | 0 | 111.9 | N9 C22 K23 E24 C33 V35 | N9-L26 HydrophobicContact CB-CD1 3.85Å; N9-L26 HydrophobicContact CB-CD2 3.53Å; N9-L26 HydrophobicContact CB-CG 4.32Å; C22-L26 HydrophobicContact CB-CB 4.26Å; K23-L26 HydrophobicContact CB-CD1 3.51Å; K23-L26 WeakPolarHBondContact O-CD1 3.07Å; K23-L26 PolarHBondContact O-N 2.85Å; E24-L26 VanDerWaalsContact C-N 3.35Å; L26-C33 HydrophobicContact CB-CB 4.36Å; L26-C33 HydrophobicContact CD2-CB 4.46Å; L26-V35 HydrophobicContact CD2-CG2 3.89Å |
| 27 | Y | 82.2 | Confident | 81.8 | Confident | 79 Ų | 79 | 71.4 Ų | 71.4 | 31% | 0.31 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 130.6 | 176.8 | -56.3 | -83.9 | 0 | 0 | 0 | 111.7 | C33 Y34 V35 T43 M48 C50 | Y27-C33 CarbonylContact O-C 3.56Å; Y27-C33 WeakPolarHBondContact O-CA 3.26Å; Y27-Y34 PolarHBondContact N-O 2.78Å; Y27-Y34 PolarHBondContact O-N 2.65Å; Y27-V35 WeakPolarHBondContact CD2-O 3.23Å; Y27-V35 WeakPolarHBondContact CE2-O 3.09Å; Y27-T43 HydrophobicContact CD1-CG2 3.25Å; Y27-T43 HydrophobicContact CE1-CG2 3.28Å; Y27-T43 HydrophobicContact CG-CG2 4.41Å; Y27-M48 CarbonylContact C-O 3.43Å; Y27-M48 WeakPolarHBondContact CA-O 3.22Å; Y27-M48 HydrophobicContact CD1-CB 4.32Å; Y27-C50 WeakPolarHBondContact CB-SG 3.29Å |
| 28 | S | 82.2 | Confident | 81.5 | Confident | 33 Ų | 33 | 67.5 Ų | 67.5 | 23% | 0.231 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 140.1 | 172.1 | 46.2 | 0 | 0 | 0 | 0 | 111.1 | R32 M48 D49 C50 | S28-R32 CarbonylContact C-O 3.52Å; S28-R32 WeakPolarHBondContact CA-O 3.01Å; S28-M48 PolarHBondContact N-O 3.28Å; S28-M48 PolarHBondContact OG-O 2.99Å; S28-D49 VanDerWaalsContact CB-OD2 3.32Å; S28-D49 WeakPolarHBondContact CB-OD2 3.23Å; S28-D49 CarbonylContact O-C 3.55Å; S28-D49 WeakPolarHBondContact O-CA 3.35Å; S28-D49 PolarHBondContact OG-OD2 3.08Å; S28-C50 PolarHBondContact O-N 2.8Å |
| 29 | H | 81.8 | Confident | 80.5 | Confident | 27 Ų | 27 | 69.3 Ų | 69.3 | 13% | 0.125 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 122.4 | 169.2 | -178.5 | 63.5 | 0 | 0 | 0 | 110.4 | G31 R32 Y34 K41 C50 | H29-G31 PolarHBondContact O-N 2.82Å; H29-G31 VanDerWaalsContact O-N 3.16Å; H29-R32 PolarHBondContact N-O 2.98Å; H29-R32 PolarHBondContact O-N 3.44Å; H29-Y34 HydrophobicContact CB-CD2 4.06Å; H29-Y34 HydrophobicContact CB-CE2 4Å; H29-K41 PolarHBondContact CD2-NZ 2.93Å; H29-K41 PolarHBondContact CE1-NZ 2.98Å; H29-K41 VanDerWaalsContact CE1-NZ 3.31Å; H29-K41 PolarHBondContact NE2-NZ 3.2Å; H29-C50 HydrophobicContact CB-CB 4.1Å; H29-C50 PolarHBondContact ND1-O 3.31Å |
| 30 | S | 78.9 | Confident | 79.4 | Confident | 90 Ų | 90 | 71.3 Ų | 71.3 | 63% | 0.629 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | 39.4 | 178.2 | -60.7 | 0 | 0 | 0 | 0 | 113.4 | ||
| 31 | G | 79.3 | Confident | 78.3 | Confident | 9 Ų | 9 | 70.1 Ų | 70.1 | 9% | 0.093 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.6 | 19.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | C19 H29 | C19-G31 WeakPolarHBondContact CB-O 3.24Å; C19-G31 PolarHBondContact N-O 2.87Å; H29-G31 PolarHBondContact O-N 2.82Å; H29-G31 VanDerWaalsContact O-N 3.16Å |
| 32 | R | 83.4 | Confident | 77.4 | Confident | 138 Ų | 138 | 70.5 Ų | 70.5 | 52% | 0.521 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 153.5 | 171.9 | -66.7 | -176.3 | 178.7 | -176.8 | -1.1 | 111.1 | S28 H29 Y34 | S28-R32 CarbonylContact C-O 3.52Å; S28-R32 WeakPolarHBondContact CA-O 3.01Å; H29-R32 PolarHBondContact N-O 2.98Å; H29-R32 PolarHBondContact O-N 3.44Å; R32-Y34 HydrophobicContact CB-CE2 3.69Å |
| 33 | C | 86.3 | Confident | 76.4 | Confident | 11 Ų | 11 | 72.1 Ų | 72.1 | 7% | 0.074 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 133.8 | -177.8 | -52.1 | 0 | 0 | 0 | 0 | 111 | N9 C19 C22 L26 Y27 | N9-C33 HydrophobicContact CB-CB 3.99Å; N9-C33 PolarHBondContact O-SG 2.96Å; N9-C33 VanDerWaalsContact O-SG 3.39Å; C19-C33 PolarHBondContact SG-SG 3.38Å; C22-C33 WeakPolarHBondContact CA-SG 3.33Å; C22-C33 HydrophobicContact CB-CB 3.76Å; C22-C33 WeakPolarHBondContact CB-SG 2.99Å; C22-C33 VanDerWaalsContact SG-CA 3.51Å; C22-C33 WeakPolarHBondContact SG-CB 2.99Å; C22-C33 CovalentContact SG-SG 2.02Å; C22-C33 PolarHBondContact SG-SG 3.29Å; L26-C33 HydrophobicContact CB-CB 4.36Å; L26-C33 HydrophobicContact CD2-CB 4.46Å; Y27-C33 CarbonylContact O-C 3.56Å; Y27-C33 WeakPolarHBondContact O-CA 3.26Å |
| 34 | Y | 82.8 | Confident | 75.2 | Confident | 85 Ų | 85 | 69.6 Ų | 69.6 | 33% | 0.333 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 144.7 | -177.7 | -63.6 | -84.8 | 0 | 0 | 0 | 110.7 | Y27 H29 R32 S36 | Y27-Y34 PolarHBondContact N-O 2.78Å; Y27-Y34 PolarHBondContact O-N 2.65Å; H29-Y34 HydrophobicContact CB-CD2 4.06Å; H29-Y34 HydrophobicContact CB-CE2 4Å; R32-Y34 HydrophobicContact CB-CE2 3.69Å; Y34-S36 WeakPolarHBondContact CB-O 3.44Å; Y34-S36 PolarHBondContact O-N 3.08Å |
| 35 | V | 82.7 | Confident | 73.9 | Confident | 115 Ų | 115 | 67.9 Ų | 67.9 | 70% | 0.697 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -70.2 | -25.5 | 177.4 | -177.9 | 0 | 0 | 0 | 0 | 111.2 | L26 Y27 | L26-V35 HydrophobicContact CD2-CG2 3.89Å; Y27-V35 WeakPolarHBondContact CD2-O 3.23Å; Y27-V35 WeakPolarHBondContact CE2-O 3.09Å |
| 36 | S | 77 | Confident | 72.9 | Confident | 81 Ų | 81 | 73.9 Ų | 73.9 | 57% | 0.566 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -147.1 | 152.4 | 174.7 | 56.7 | 0 | 0 | 0 | 0 | 110.3 | Y34 | Y34-S36 WeakPolarHBondContact CB-O 3.44Å; Y34-S36 PolarHBondContact O-N 3.08Å |
| 37 | C | 75.7 | Confident | 72.1 | Confident | 33 Ų | 33 | 76.8 Ų | 76.8 | 22% | 0.223 | 44% | 0.439 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 134.4 | 175.7 | -69.2 | 0 | 0 | 0 | 0 | 111.2 | K41 C50 | C37-K41 WeakPolarHBondContact CB-O 3.44Å; C37-C50 WeakPolarHBondContact CA-SG 3.17Å; C37-C50 HydrophobicContact CB-CB 3.89Å; C37-C50 WeakPolarHBondContact CB-SG 3.33Å; C37-C50 WeakPolarHBondContact SG-CB 3.41Å; C37-C50 CovalentContact SG-SG 2.03Å; C37-C50 PolarHBondContact SG-SG 3.25Å |
| 38 | P | 72.8 | Confident | 71.5 | Confident | 36 Ų | 36 | 78 Ų | 78 | 23% | 0.234 | 45% | 0.449 | C | S | . | . | P | Polyproline II helix | trans | -64.5 | 157.2 | 176.3 | 28.2 | -35.1 | 0 | 0 | 0 | 111.3 | G40 K41 | P38-G40 PolarHBondContact O-N 3.5Å; P38-K41 HydrophobicContact CG-CB 4.36Å; P38-K41 HydrophobicContact CG-CD 3.75Å; P38-K41 HydrophobicContact CG-CG 4.12Å; P38-K41 PolarHBondContact O-N 2.55Å; P38-K41 VanDerWaalsContact O-N 3.08Å |
| 39 | P | 62 | Low | 71.2 | Confident | 137 Ų | 137 | 78.6 Ų | 78.6 | 89% | 0.89 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | 128.7 | -175.6 | 22.3 | -33 | 0 | 0 | 0 | 111.6 | ||
| 40 | G | 61.3 | Low | 70.9 | Confident | 50 Ų | 50 | 77.3 Ų | 77.3 | 52% | 0.515 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.7 | 2.8 | -178 | 0 | 0 | 0 | 0 | 0 | 115.2 | P38 | P38-G40 PolarHBondContact O-N 3.5Š|
| 41 | K | 62.1 | Low | 70.2 | Confident | 63 Ų | 63 | 76.6 Ų | 76.6 | 27% | 0.274 | 43% | 0.433 | S | S | . | . | trans | -118.6 | 143.1 | 171.6 | -51 | -168.8 | -170.6 | 167 | 0 | 109.4 | H29 C37 P38 C50 | H29-K41 PolarHBondContact CD2-NZ 2.93Å; H29-K41 PolarHBondContact CE1-NZ 2.98Å; H29-K41 VanDerWaalsContact CE1-NZ 3.31Å; H29-K41 PolarHBondContact NE2-NZ 3.2Å; C37-K41 WeakPolarHBondContact CB-O 3.44Å; P38-K41 HydrophobicContact CG-CB 4.36Å; P38-K41 HydrophobicContact CG-CD 3.75Å; P38-K41 HydrophobicContact CG-CG 4.12Å; P38-K41 PolarHBondContact O-N 2.55Å; P38-K41 VanDerWaalsContact O-N 3.08Å; K41-C50 HydrophobicContact CB-CB 4.1Å | ||
| 42 | H | 64.7 | Low | 69 | Low | 122 Ų | 122 | 78.3 Ų | 78.3 | 57% | 0.565 | 45% | 0.451 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 150.2 | 178.1 | -71.1 | -84.4 | 0 | 0 | 0 | 108.8 | A44 D51 | H42-A44 PolarHBondContact O-N 2.86Å; H42-D51 PolarHBondContact N-O 2.71Å; H42-D51 PolarHBondContact O-N 3.26Å |
| 43 | T | 65.1 | Low | 67.6 | Low | 55 Ų | 55 | 77.6 Ų | 77.6 | 34% | 0.337 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 127.3 | 169.6 | 47.2 | 0 | 0 | 0 | 0 | 110.1 | Y27 N45 T47 D49 | Y27-T43 HydrophobicContact CD1-CG2 3.25Å; Y27-T43 HydrophobicContact CE1-CG2 3.28Å; Y27-T43 HydrophobicContact CG-CG2 4.41Å; T43-N45 PolarHBondContact O-N 3.31Å; T43-T47 VanDerWaalsContact CB-O 3.29Å; T43-T47 WeakPolarHBondContact CB-O 3.48Å; T43-T47 WeakPolarHBondContact CG2-O 3.39Å; T43-D49 WeakPolarHBondContact CA-O 3.44Å |
| 44 | A | 58.9 | Low | 65.7 | Low | 49 Ų | 49 | 82.9 Ų | 82.9 | 41% | 0.405 | 48% | 0.476 | S | S | . | . | trans | -63.6 | 132.9 | 166.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | H42 N46 T47 | H42-A44 PolarHBondContact O-N 2.86Å; A44-N46 PolarHBondContact O-N 3.06Å; A44-N46 VanDerWaalsContact O-N 3.14Å; A44-T47 PolarHBondContact O-N 2.72Å | ||
| 45 | N | 55 | Low | 64.1 | Low | 144 Ų | 144 | 81.2 Ų | 81.2 | 77% | 0.77 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -30.4 | 114.2 | -174.1 | -65.5 | -48.6 | 0 | 0 | 0 | 113.2 | T43 T47 | T43-N45 PolarHBondContact O-N 3.31Å; N45-T47 VanDerWaalsContact C-N 3.34Å; N45-T47 PolarHBondContact O-N 3.21Å |
| 46 | N | 54.9 | Low | 62.4 | Low | 175 Ų | 175 | 79.5 Ų | 79.5 | 94% | 0.936 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.1 | 8 | 178.2 | -56.2 | -26.2 | 0 | 0 | 0 | 117.9 | A44 | A44-N46 PolarHBondContact O-N 3.06Å; A44-N46 VanDerWaalsContact O-N 3.14Å |
| 47 | T | 64.5 | Low | 61 | Low | 81 Ų | 81 | 82.1 Ų | 82.1 | 50% | 0.497 | 48% | 0.477 | S | S | . | . | trans | -110 | 135.1 | 174.2 | -48.9 | 0 | 0 | 0 | 0 | 110.4 | T43 A44 N45 D49 | T43-T47 VanDerWaalsContact CB-O 3.29Å; T43-T47 WeakPolarHBondContact CB-O 3.48Å; T43-T47 WeakPolarHBondContact CG2-O 3.39Å; A44-T47 PolarHBondContact O-N 2.72Å; N45-T47 VanDerWaalsContact C-N 3.34Å; N45-T47 PolarHBondContact O-N 3.21Å; T47-D49 HydrophobicContact CG2-CB 3.94Å; T47-D49 PolarHBondContact O-N 2.96Å | ||
| 48 | M | 70.3 | Confident | 60.3 | Low | 105 Ų | 105 | 81.9 Ų | 81.9 | 52% | 0.517 | 48% | 0.475 | S | S | . | . | S | Bend | trans | -77 | 26.6 | 173.6 | -67.6 | -175.7 | 172.2 | 0 | 0 | 112.6 | Y27 S28 | Y27-M48 CarbonylContact C-O 3.43Å; Y27-M48 WeakPolarHBondContact CA-O 3.22Å; Y27-M48 HydrophobicContact CD1-CB 4.32Å; S28-M48 PolarHBondContact N-O 3.28Å; S28-M48 PolarHBondContact OG-O 2.99Å |
| 49 | D | 75.3 | Confident | 59.8 | Low | 45 Ų | 45 | 86.1 Ų | 86.1 | 24% | 0.241 | 49% | 0.492 | C | S | . | . | B | Isolated β-bridge | trans | -106 | 122.9 | 175.4 | -152.4 | -81 | 0 | 0 | 0 | 109.1 | S28 T43 T47 D51 | S28-D49 VanDerWaalsContact CB-OD2 3.32Å; S28-D49 WeakPolarHBondContact CB-OD2 3.23Å; S28-D49 CarbonylContact O-C 3.55Å; S28-D49 WeakPolarHBondContact O-CA 3.35Å; S28-D49 PolarHBondContact OG-OD2 3.08Å; T43-D49 WeakPolarHBondContact CA-O 3.44Å; T47-D49 HydrophobicContact CG2-CB 3.94Å; T47-D49 PolarHBondContact O-N 2.96Å; D49-D51 PolarHBondContact O-N 3.43Å; D49-D51 VanDerWaalsContact O-N 3.16Å |
| 50 | C | 75.3 | Confident | 60.1 | Low | 0 Ų | 0 | 80.9 Ų | 80.9 | 0% | 0 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 88 | 177.3 | -58.1 | 0 | 0 | 0 | 0 | 108.9 | Y27 S28 H29 C37 K41 | Y27-C50 WeakPolarHBondContact CB-SG 3.29Å; S28-C50 PolarHBondContact O-N 2.8Å; H29-C50 HydrophobicContact CB-CB 4.1Å; H29-C50 PolarHBondContact ND1-O 3.31Å; C37-C50 WeakPolarHBondContact CA-SG 3.17Å; C37-C50 HydrophobicContact CB-CB 3.89Å; C37-C50 WeakPolarHBondContact CB-SG 3.33Å; C37-C50 WeakPolarHBondContact SG-CB 3.41Å; C37-C50 CovalentContact SG-SG 2.03Å; C37-C50 PolarHBondContact SG-SG 3.25Å; K41-C50 HydrophobicContact CB-CB 4.1Å |
| 51 | D | 65.4 | Low | 60.7 | Low | 74 Ų | 74 | 78.9 Ų | 78.9 | 40% | 0.396 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 142.5 | 172.6 | -76.9 | -52.2 | 0 | 0 | 0 | 111.3 | H42 D49 H53 | H42-D51 PolarHBondContact N-O 2.71Å; H42-D51 PolarHBondContact O-N 3.26Å; D49-D51 PolarHBondContact O-N 3.43Å; D49-D51 VanDerWaalsContact O-N 3.16Å; D51-H53 PolarHBondContact O-N 3.38Å; D51-H53 VanDerWaalsContact O-N 3.13Å |
| 52 | G | 54.1 | Low | 61.8 | Low | 46 Ų | 46 | 84.5 Ų | 84.5 | 47% | 0.474 | 46% | 0.463 | S | S | . | . | trans | -76.3 | 14.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | H54 | G52-H54 VanDerWaalsContact C-N 3.34Å; G52-H54 PolarHBondContact O-N 3.45Å | ||
| 53 | H | 52.3 | Low | 62.9 | Low | 123 Ų | 123 | 81.4 Ų | 81.4 | 57% | 0.569 | 45% | 0.446 | S | S | * | . | trans | -75.1 | 95.1 | 176 | -80.5 | -102.7 | 0 | 0 | 0 | 108.3 | D51 E57 | D51-H53 PolarHBondContact O-N 3.38Å; D51-H53 VanDerWaalsContact O-N 3.13Å; H53-E57 IonicContact CE1-OE1 3.09Å; H53-E57 IonicContact CE1-OE2 2.65Å; H53-E57 IonicContact CG-OE2 3.91Å; H53-E57 IonicContact ND1-OE1 3.08Å; H53-E57 PolarHBondContact ND1-OE1 3.34Å; H53-E57 IonicContact ND1-OE2 2.78Å; H53-E57 PolarHBondContact ND1-OE2 2.75Å | ||
| 54 | H | 48.2 | Very low | 64 | Low | 121 Ų | 121 | 81.4 Ų | 81.4 | 56% | 0.56 | 45% | 0.448 | S | S | * | . | trans | -45.6 | 141.6 | 167.8 | -177.4 | -111 | 0 | 0 | 0 | 109.2 | G52 S56 E57 | G52-H54 VanDerWaalsContact C-N 3.34Å; G52-H54 PolarHBondContact O-N 3.45Å; H54-S56 WeakPolarHBondContact CB-OG 3.43Å; H54-S56 WeakPolarHBondContact ND1-CB 3.26Å; H54-S56 PolarHBondContact ND1-N 2.81Å; H54-S56 PolarHBondContact ND1-OG 3.19Å; H54-S56 PolarHBondContact O-N 3.29Å; H54-S56 PolarHBondContact O-OG 1.99Å; H54-E57 PolarHBondContact O-N 3.49Å | ||
| 55 | A | 48.7 | Very low | 65.5 | Low | 50 Ų | 50 | 87.6 Ų | 87.6 | 41% | 0.413 | 47% | 0.469 | S | S | . | . | G | 310 helix | trans | -57.2 | 8.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | E57 C58 | A55-E57 PolarHBondContact O-N 3.24Å; A55-C58 PolarHBondContact O-N 2.98Å |
| 56 | S | 46.5 | Very low | 67.3 | Low | 80 Ų | 80 | 83.5 Ų | 83.5 | 56% | 0.559 | 44% | 0.443 | S | S | * | . | G | 310 helix | trans | -68.7 | -12.9 | 166.8 | 47.8 | 0 | 0 | 0 | 0 | 114.5 | H54 C58 | H54-S56 WeakPolarHBondContact CB-OG 3.43Å; H54-S56 WeakPolarHBondContact ND1-CB 3.26Å; H54-S56 PolarHBondContact ND1-N 2.81Å; H54-S56 PolarHBondContact ND1-OG 3.19Å; H54-S56 PolarHBondContact O-N 3.29Å; H54-S56 PolarHBondContact O-OG 1.99Å; S56-C58 PolarHBondContact O-N 2.66Å |
| 57 | E | 47.2 | Very low | 69 | Low | 135 Ų | 135 | 77 Ų | 77 | 63% | 0.631 | 41% | 0.411 | S | S | * | . | G | 310 helix | trans | -86.5 | 23.5 | 168.3 | -76 | 180 | 166.7 | 0 | 0 | 112.2 | H53 H54 A55 E59 | H53-E57 IonicContact CE1-OE1 3.09Å; H53-E57 IonicContact CE1-OE2 2.65Å; H53-E57 IonicContact CG-OE2 3.91Å; H53-E57 IonicContact ND1-OE1 3.08Å; H53-E57 PolarHBondContact ND1-OE1 3.34Å; H53-E57 IonicContact ND1-OE2 2.78Å; H53-E57 PolarHBondContact ND1-OE2 2.75Å; H54-E57 PolarHBondContact O-N 3.49Å; A55-E57 PolarHBondContact O-N 3.24Å; E57-E59 VanDerWaalsContact C-N 3.34Å; E57-E59 PolarHBondContact O-N 2.79Å |
| 58 | C | 60.6 | Low | 70.3 | Confident | 29 Ų | 29 | 77.2 Ų | 77.2 | 20% | 0.196 | 42% | 0.415 | C | S | . | . | S | Bend | trans | -65.4 | 106.4 | 150.6 | -175.8 | 0 | 0 | 0 | 0 | 107.6 | A55 S56 L60 C108 | A55-C58 PolarHBondContact O-N 2.98Å; S56-C58 PolarHBondContact O-N 2.66Å; C58-L60 PolarHBondContact O-N 3.13Å; C58-C108 HydrophobicContact CB-CB 3.75Å; C58-C108 WeakPolarHBondContact CB-SG 3.04Å; C58-C108 WeakPolarHBondContact SG-CB 3.21Å; C58-C108 CovalentContact SG-SG 1.99Å; C58-C108 PolarHBondContact SG-SG 2.81Å |
| 59 | E | 62.3 | Low | 71.3 | Confident | 124 Ų | 124 | 72.8 Ų | 72.8 | 58% | 0.579 | 40% | 0.395 | S | S | * | . | trans | -61.5 | 98.1 | 177.4 | -163.5 | 176.5 | 165.9 | 0 | 0 | 109 | E57 L90 | E57-E59 VanDerWaalsContact C-N 3.34Å; E57-E59 PolarHBondContact O-N 2.79Å; E59-L90 HydrophobicContact CG-CD1 4.07Å; E59-L90 WeakPolarHBondContact O-CB 3.06Å; E59-L90 PolarHBondContact O-N 2.65Å | ||
| 60 | L | 68.7 | Low | 72 | Confident | 27 Ų | 27 | 73.7 Ų | 73.7 | 14% | 0.141 | 40% | 0.398 | C | S | . | . | B | Isolated β-bridge | trans | -71.9 | 132.5 | 172.6 | -64.7 | 169.2 | 0 | 0 | 0 | 107.5 | C58 R87 P89 E111 | C58-L60 PolarHBondContact O-N 3.13Å; L60-R87 HydrophobicContact CB-CG 3.97Å; L60-R87 HydrophobicContact CD1-CG 4.04Å; L60-R87 VanDerWaalsContact CD1-NE 3.29Å; L60-R87 HydrophobicContact CG-CG 4.48Å; L60-P89 HydrophobicContact CD2-CB 4.36Å; L60-P89 HydrophobicContact CD2-CG 3.97Å; L60-E111 HydrophobicContact CD1-CB 4.09Å; L60-E111 HydrophobicContact CD1-CG 3.5Å; L60-E111 WeakPolarHBondContact CD1-OE1 3.02Å |
| 61 | G | 74.3 | Confident | 72.6 | Confident | 8 Ų | 8 | 78.9 Ų | 78.9 | 8% | 0.082 | 42% | 0.421 | C | S | . | . | trans | -66.7 | -175.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | W63 S88 L90 | G61-W63 PolarHBondContact O-N 2.81Å; G61-S88 PolarHBondContact N-O 3.16Å; G61-L90 VanDerWaalsContact CA-CD2 3.45Å; G61-L90 VanDerWaalsContact CA-CG 3.44Å | ||
| 62 | E | 86.3 | Confident | 73.4 | Confident | 181 Ų | 181 | 84 Ų | 84 | 85% | 0.846 | 44% | 0.44 | S | S | * | . | P | Polyproline II helix | trans | -56.9 | 135.3 | 175.4 | -168.5 | 179.9 | 168.8 | 0 | 0 | 110.4 | ||
| 63 | W | 86.3 | Confident | 74.8 | Confident | 58 Ų | 58 | 89 Ų | 89 | 22% | 0.22 | 46% | 0.455 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 139.8 | 176.2 | -74.2 | 102.3 | 0 | 0 | 0 | 112.1 | G61 R85 R87 E111 E113 | G61-W63 PolarHBondContact O-N 2.81Å; W63-R85 HydrophobicContact CB-CG 4.16Å; W63-R85 HydrophobicContact CE3-CB 4.21Å; W63-R85 HydrophobicContact CE3-CG 3.9Å; W63-R85 PolarHBondContact O-NH2 3.15Å; W63-R87 HydrophobicContact CB-CB 4.38Å; W63-R87 HydrophobicContact CD2-CB 3.74Å; W63-R87 HydrophobicContact CD2-CG 3.77Å; W63-R87 HydrophobicContact CE3-CB 3.62Å; W63-R87 HydrophobicContact CE3-CG 3.67Å; W63-R87 HydrophobicContact CG-CB 4.05Å; W63-R87 HydrophobicContact CG-CG 4.44Å; W63-R87 HydrophobicContact CH2-CG 3.8Å; W63-R87 HydrophobicContact CZ2-CG 3.95Å; W63-R87 HydrophobicContact CZ3-CB 4.1Å; W63-R87 HydrophobicContact CZ3-CG 3.68Å; W63-E111 HydrophobicContact CH2-CB 4.01Å; W63-E111 HydrophobicContact CZ3-CB 4.46Å; W63-E113 HydrophobicContact CH2-CB 3.72Å; W63-E113 HydrophobicContact CZ2-CB 4.49Å; W63-E113 HydrophobicContact CZ3-CB 3.75Å |
| 64 | S | 89 | Confident | 76.3 | Confident | 54 Ų | 54 | 89.3 Ų | 89.3 | 38% | 0.378 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -57.1 | 170 | 176.5 | 75.4 | 0 | 0 | 0 | 0 | 113.1 | R85 V86 | S64-R85 WeakPolarHBondContact O-CD 2.97Å; S64-R85 WeakPolarHBondContact O-CG 3.45Å; S64-R85 VanDerWaalsContact O-CZ 3.32Å; S64-R85 PolarHBondContact O-NE 3.32Å; S64-R85 PolarHBondContact O-NH2 1.97Å; S64-V86 WeakPolarHBondContact CB-O 3.15Å; S64-V86 PolarHBondContact N-O 2.89Å; S64-V86 PolarHBondContact OG-N 2.82Å; S64-V86 PolarHBondContact OG-O 3.2Å |
| 65 | Q | 91.1 | Very high | 78.1 | Confident | 180 Ų | 180 | 87.8 Ų | 87.8 | 84% | 0.841 | 46% | 0.455 | S | S | * | . | P | Polyproline II helix | trans | -65.8 | 154.6 | 166.4 | -70.8 | 177.2 | -18.7 | 0 | 0 | 111.6 | ||
| 66 | W | 91.3 | Very high | 79.9 | Confident | 58 Ų | 58 | 86.7 Ų | 86.7 | 22% | 0.22 | 44% | 0.444 | C | S | . | . | P | Polyproline II helix | trans | -67 | 135.2 | 173.5 | -77.3 | 98.6 | 0 | 0 | 0 | 110.7 | Q83 R85 E113 R115 | W66-Q83 HydrophobicContact CE3-CB 3.76Å; W66-Q83 HydrophobicContact CZ3-CB 4.38Å; W66-R85 HydrophobicContact CD2-CB 3.8Å; W66-R85 HydrophobicContact CD2-CG 4.32Å; W66-R85 HydrophobicContact CE3-CB 3.65Å; W66-R85 HydrophobicContact CG-CB 4.43Å; W66-R85 HydrophobicContact CH2-CB 4.09Å; W66-R85 HydrophobicContact CZ2-CB 4.24Å; W66-R85 HydrophobicContact CZ3-CB 3.78Å; W66-E113 HydrophobicContact CH2-CB 3.96Å; W66-E113 HydrophobicContact CH2-CG 3.73Å; W66-E113 HydrophobicContact CZ2-CG 4.4Å; W66-E113 WeakPolarHBondContact CZ2-OE2 3.37Å; W66-R115 VanDerWaalsContact CB-NH2 3.3Å; W66-R115 HydrophobicContact CD2-CG 4.33Å; W66-R115 VanDerWaalsContact CE2-NH1 3.33Å; W66-R115 HydrophobicContact CE3-CG 3.78Å; W66-R115 HydrophobicContact CH2-CB 3.82Å; W66-R115 HydrophobicContact CH2-CG 3.66Å; W66-R115 HydrophobicContact CZ2-CG 4.22Å; W66-R115 HydrophobicContact CZ3-CB 3.95Å; W66-R115 HydrophobicContact CZ3-CG 3.43Å; W66-R115 VanDerWaalsContact CZ3-CG 3.43Å; W66-R115 VanDerWaalsContact NE1-CZ 3.3Å |
| 67 | S | 90.9 | Very high | 81.6 | Confident | 39 Ų | 39 | 84.6 Ų | 84.6 | 27% | 0.273 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 160.8 | 174.6 | 77.7 | 0 | 0 | 0 | 0 | 112.1 | Q83 T84 | S67-Q83 WeakPolarHBondContact O-CB 3.07Å; S67-Q83 WeakPolarHBondContact O-CG 3.4Å; S67-Q83 PolarHBondContact O-NE2 2.95Å; S67-Q83 WeakPolarHBondContact OG-CA 3.3Å; S67-T84 WeakPolarHBondContact CB-O 3.48Å; S67-T84 PolarHBondContact N-O 3.07Å; S67-T84 PolarHBondContact OG-N 3Å; S67-T84 PolarHBondContact OG-O 2.98Å |
| 68 | S | 91.3 | Very high | 83.5 | Confident | 84 Ų | 84 | 78.9 Ų | 78.9 | 59% | 0.587 | 41% | 0.407 | S | S | * | . | P | Polyproline II helix | trans | -53 | 149.5 | 165.4 | -67.9 | 0 | 0 | 0 | 0 | 111.1 | M70 | S68-M70 WeakPolarHBondContact O-CG 3.04Å; S68-M70 PolarHBondContact O-N 2.77Å |
| 69 | C | 92.1 | Very high | 84.7 | Confident | 12 Ų | 12 | 84.2 Ų | 84.2 | 8% | 0.081 | 43% | 0.427 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 127.5 | 174 | -169.4 | 0 | 0 | 0 | 0 | 108.8 | F78 Q83 C117 V119 | C69-F78 HydrophobicContact CB-CE2 4.35Å; C69-F78 VanDerWaalsContact O-CZ 3.24Å; C69-F78 WeakPolarHBondContact O-CZ 3.42Å; C69-Q83 HydrophobicContact CB-CG 4.25Å; C69-C117 WeakPolarHBondContact CA-SG 3.29Å; C69-C117 HydrophobicContact CB-CB 3.85Å; C69-C117 WeakPolarHBondContact CB-SG 3.46Å; C69-C117 WeakPolarHBondContact SG-CB 3.48Å; C69-C117 CovalentContact SG-SG 2.01Å; C69-C117 PolarHBondContact SG-SG 3.45Å; C69-V119 HydrophobicContact CB-CG1 3.57Å |
| 70 | M | 90.1 | Very high | 86 | Confident | 64 Ų | 64 | 85.6 Ų | 85.6 | 32% | 0.315 | 43% | 0.431 | S | S | . | . | B | Isolated β-bridge | trans | -134.7 | 147.5 | -176.2 | -64.8 | 168.4 | 86.4 | 0 | 0 | 111.5 | S68 K74 T75 G81 S82 | S68-M70 WeakPolarHBondContact O-CG 3.04Å; S68-M70 PolarHBondContact O-N 2.77Å; M70-K74 CarbonylContact C-O 3.56Å; M70-K74 VanDerWaalsContact CA-O 3.29Å; M70-K74 WeakPolarHBondContact CA-O 3.43Å; M70-T75 HydrophobicContact CG-CG2 3.82Å; M70-G81 CarbonylContact O-C 3.52Å; M70-G81 WeakPolarHBondContact O-CA 3.03Å; M70-S82 PolarHBondContact N-O 2.78Å; M70-S82 PolarHBondContact O-N 3.42Å |
| 71 | K | 87.3 | Confident | 87.1 | Confident | 109 Ų | 109 | 84.9 Ų | 84.9 | 47% | 0.474 | 43% | 0.431 | S | S | . | . | B | Isolated β-bridge | trans | -134 | 122.6 | 169.3 | -169.7 | -175.3 | -169.2 | 168.6 | 0 | 109.3 | N73 K74 F78 K80 | K71-N73 VanDerWaalsContact C-N 3.27Å; K71-N73 PolarHBondContact O-N 3.29Å; K71-K74 PolarHBondContact N-O 2.03Å; K71-K74 PolarHBondContact O-N 3.38Å; K71-K74 VanDerWaalsContact O-N 3.1Å; K71-F78 HydrophobicContact CB-CB 3.9Å; K71-F78 HydrophobicContact CB-CD1 3.58Å; K71-F78 HydrophobicContact CB-CD2 3.92Å; K71-F78 HydrophobicContact CB-CE1 4.13Å; K71-F78 HydrophobicContact CB-CE2 4.42Å; K71-F78 HydrophobicContact CB-CG 3.5Å; K71-F78 VanDerWaalsContact CB-CG 3.5Å; K71-F78 HydrophobicContact CD-CB 3.58Å; K71-F78 HydrophobicContact CD-CG 4.15Å; K71-F78 HydrophobicContact CG-CB 4.37Å; K71-F78 HydrophobicContact CG-CG 4.46Å; K71-K80 WeakPolarHBondContact CD-O 3.35Å |
| 72 | K | 82.6 | Confident | 87.9 | Confident | 183 Ų | 183 | 86.3 Ų | 86.3 | 80% | 0.796 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 46.2 | -175.2 | -60.2 | -177.7 | 173 | -172.6 | 0 | 112.2 | K74 | K72-K74 PolarHBondContact O-N 3.16Å; K72-K74 VanDerWaalsContact O-N 3.07Å |
| 73 | N | 84.1 | Confident | 88.2 | Confident | 149 Ų | 149 | 79.4 Ų | 79.4 | 80% | 0.797 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.5 | 14.2 | -179.1 | -56.8 | 46.4 | 0 | 0 | 0 | 114.9 | K71 | K71-N73 VanDerWaalsContact C-N 3.27Å; K71-N73 PolarHBondContact O-N 3.29Å |
| 74 | K | 83.7 | Confident | 88.5 | Confident | 131 Ų | 131 | 78.8 Ų | 78.8 | 57% | 0.57 | 41% | 0.41 | S | S | * | . | B | Isolated β-bridge | trans | -110.2 | 147.9 | 174.8 | -60.9 | -174.1 | -179.4 | -163.2 | 0 | 109.9 | M70 K71 K72 F78 | M70-K74 CarbonylContact C-O 3.56Å; M70-K74 VanDerWaalsContact CA-O 3.29Å; M70-K74 WeakPolarHBondContact CA-O 3.43Å; K71-K74 PolarHBondContact N-O 2.03Å; K71-K74 PolarHBondContact O-N 3.38Å; K71-K74 VanDerWaalsContact O-N 3.1Å; K72-K74 PolarHBondContact O-N 3.16Å; K72-K74 VanDerWaalsContact O-N 3.07Å; K74-F78 WeakPolarHBondContact O-CE1 2.86Å |
| 75 | T | 86.3 | Confident | 88.6 | Confident | 89 Ų | 89 | 78.9 Ų | 78.9 | 55% | 0.546 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -102.6 | 0.3 | 175.3 | 51.4 | 0 | 0 | 0 | 0 | 113.1 | M70 | M70-T75 HydrophobicContact CG-CG2 3.82Š|
| 76 | C | 85.1 | Confident | 88.6 | Confident | 27 Ų | 27 | 73.1 Ų | 73.1 | 18% | 0.182 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -123.6 | 160.2 | -179.6 | 63 | 0 | 0 | 0 | 0 | 112.2 | F78 C124 | C76-F78 VanDerWaalsContact O-CD1 3.26Å; C76-F78 WeakPolarHBondContact O-CD1 3.24Å; C76-F78 PolarHBondContact O-N 3.28Å; C76-C124 HydrophobicContact CB-CB 3.89Å; C76-C124 WeakPolarHBondContact CB-SG 3.4Å; C76-C124 PolarHBondContact O-SG 3.43Å; C76-C124 WeakPolarHBondContact SG-CA 3.26Å; C76-C124 WeakPolarHBondContact SG-CB 3.39Å; C76-C124 CovalentContact SG-SG 2.03Å; C76-C124 PolarHBondContact SG-SG 3.23Å |
| 77 | G | 84.1 | Confident | 88.4 | Confident | 36 Ų | 36 | 73.6 Ų | 73.6 | 37% | 0.371 | 38% | 0.381 | S | S | . | . | S | Bend | trans | 80.4 | 4.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | T122 | G77-T122 WeakPolarHBondContact CA-O 3.39Å; G77-T122 PolarHBondContact N-O 3.1Å |
| 78 | F | 85.5 | Confident | 87.9 | Confident | 14 Ų | 14 | 75.2 Ų | 75.2 | 6% | 0.061 | 39% | 0.392 | C | S | . | . | trans | -124.4 | 158.3 | 177.7 | 62.2 | -88 | 0 | 0 | 0 | 112.5 | C69 K71 K74 C76 K80 V119 | C69-F78 HydrophobicContact CB-CE2 4.35Å; C69-F78 VanDerWaalsContact O-CZ 3.24Å; C69-F78 WeakPolarHBondContact O-CZ 3.42Å; K71-F78 HydrophobicContact CB-CB 3.9Å; K71-F78 HydrophobicContact CB-CD1 3.58Å; K71-F78 HydrophobicContact CB-CD2 3.92Å; K71-F78 HydrophobicContact CB-CE1 4.13Å; K71-F78 HydrophobicContact CB-CE2 4.42Å; K71-F78 HydrophobicContact CB-CG 3.5Å; K71-F78 VanDerWaalsContact CB-CG 3.5Å; K71-F78 HydrophobicContact CD-CB 3.58Å; K71-F78 HydrophobicContact CD-CG 4.15Å; K71-F78 HydrophobicContact CG-CB 4.37Å; K71-F78 HydrophobicContact CG-CG 4.46Å; K74-F78 WeakPolarHBondContact O-CE1 2.86Å; C76-F78 VanDerWaalsContact O-CD1 3.26Å; C76-F78 WeakPolarHBondContact O-CD1 3.24Å; C76-F78 PolarHBondContact O-N 3.28Å; F78-K80 WeakPolarHBondContact CD2-O 3.33Å; F78-V119 HydrophobicContact CD2-CG2 3.72Å; F78-V119 HydrophobicContact CE2-CG2 3.31Å; F78-V119 HydrophobicContact CZ-CG2 4.04Å | ||
| 79 | K | 86.9 | Confident | 87.2 | Confident | 141 Ų | 141 | 73 Ų | 73 | 61% | 0.613 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -101.5 | -25.7 | 171.5 | -67.9 | -173.9 | 176.6 | -172.4 | 0 | 113.5 | V118 V119 K121 | K79-V118 CarbonylContact O-C 3.5Å; K79-V118 VanDerWaalsContact O-CA 3.23Å; K79-V118 WeakPolarHBondContact O-CA 3.36Å; K79-V118 VanDerWaalsContact O-CG1 3.27Å; K79-V118 WeakPolarHBondContact O-CG1 3.39Å; K79-V119 WeakPolarHBondContact CA-O 3.48Å; K79-V119 PolarHBondContact O-N 3.03Å; K79-K121 HydrophobicContact CG-CB 3.99Å |
| 80 | K | 89.1 | Confident | 86 | Confident | 153 Ų | 153 | 76 Ų | 76 | 67% | 0.665 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128 | 128.4 | -178.7 | -62.1 | -176.8 | 179.4 | -179.6 | 0 | 108.7 | K71 F78 C117 V118 | K71-K80 WeakPolarHBondContact CD-O 3.35Å; F78-K80 WeakPolarHBondContact CD2-O 3.33Å; K80-C117 CarbonylContact C-O 3.57Å; K80-C117 WeakPolarHBondContact CA-O 3.37Å; K80-V118 HydrophobicContact CG-CG2 4.35Å |
| 81 | G | 91.3 | Very high | 84.4 | Confident | 13 Ų | 13 | 77.9 Ų | 77.9 | 13% | 0.134 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | -165.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | M70 C117 | M70-G81 CarbonylContact O-C 3.52Å; M70-G81 WeakPolarHBondContact O-CA 3.03Å; G81-C117 PolarHBondContact N-O 3.32Å; G81-C117 PolarHBondContact O-N 3.11Å; G81-C117 PolarHBondContact O-SG 2.83Å; G81-C117 VanDerWaalsContact O-SG 3.41Å |
| 82 | S | 92.1 | Very high | 82.9 | Confident | 38 Ų | 38 | 77.5 Ų | 77.5 | 27% | 0.266 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 146.3 | 171.8 | 53.6 | 0 | 0 | 0 | 0 | 110.7 | M70 R115 C117 | M70-S82 PolarHBondContact N-O 2.78Å; M70-S82 PolarHBondContact O-N 3.42Å; S82-R115 CarbonylContact C-O 3.51Å; S82-R115 VanDerWaalsContact CA-O 3.23Å; S82-R115 WeakPolarHBondContact CA-O 3.41Å; S82-C117 VanDerWaalsContact C-SG 3.53Å; S82-C117 PolarHBondContact N-SG 3.07Å; S82-C117 VanDerWaalsContact N-SG 3.38Å |
| 83 | Q | 93.1 | Very high | 81.1 | Confident | 35 Ų | 35 | 76.3 Ų | 76.3 | 16% | 0.164 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 147.4 | 165.7 | -62.2 | -177.6 | -25.1 | 0 | 0 | 108.7 | W66 S67 C69 R114 R115 C117 | W66-Q83 HydrophobicContact CE3-CB 3.76Å; W66-Q83 HydrophobicContact CZ3-CB 4.38Å; S67-Q83 WeakPolarHBondContact O-CB 3.07Å; S67-Q83 WeakPolarHBondContact O-CG 3.4Å; S67-Q83 PolarHBondContact O-NE2 2.95Å; S67-Q83 WeakPolarHBondContact OG-CA 3.3Å; C69-Q83 HydrophobicContact CB-CG 4.25Å; Q83-R114 CarbonylContact O-C 3.51Å; Q83-R114 WeakPolarHBondContact O-CA 3.41Å; Q83-R115 HydrophobicContact CB-CG 3.96Å; Q83-R115 PolarHBondContact N-O 3.07Å; Q83-R115 PolarHBondContact O-N 2.73Å; Q83-C117 HydrophobicContact CG-CB 4.08Å |
| 84 | T | 91.9 | Very high | 79.3 | Confident | 45 Ų | 45 | 76.1 Ų | 76.1 | 28% | 0.276 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 140.6 | 178.3 | -53.4 | 0 | 0 | 0 | 0 | 109 | S67 T112 E113 | S67-T84 WeakPolarHBondContact CB-O 3.48Å; S67-T84 PolarHBondContact N-O 3.07Å; S67-T84 PolarHBondContact OG-N 3Å; S67-T84 PolarHBondContact OG-O 2.98Å; T84-T112 HydrophobicContact CG2-CG2 3.3Å; T84-E113 CarbonylContact C-O 3.56Å; T84-E113 VanDerWaalsContact CA-O 3.23Å; T84-E113 WeakPolarHBondContact CA-O 3.44Å |
| 85 | R | 91.9 | Very high | 77.3 | Confident | 57 Ų | 57 | 75 Ų | 75 | 22% | 0.215 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 146.3 | 173.2 | -162.3 | -178.4 | -171.8 | -171.1 | -4.6 | 107.8 | W63 S64 W66 T112 E113 | W63-R85 HydrophobicContact CB-CG 4.16Å; W63-R85 HydrophobicContact CE3-CB 4.21Å; W63-R85 HydrophobicContact CE3-CG 3.9Å; W63-R85 PolarHBondContact O-NH2 3.15Å; S64-R85 WeakPolarHBondContact O-CD 2.97Å; S64-R85 WeakPolarHBondContact O-CG 3.45Å; S64-R85 VanDerWaalsContact O-CZ 3.32Å; S64-R85 PolarHBondContact O-NE 3.32Å; S64-R85 PolarHBondContact O-NH2 1.97Å; W66-R85 HydrophobicContact CD2-CB 3.8Å; W66-R85 HydrophobicContact CD2-CG 4.32Å; W66-R85 HydrophobicContact CE3-CB 3.65Å; W66-R85 HydrophobicContact CG-CB 4.43Å; W66-R85 HydrophobicContact CH2-CB 4.09Å; W66-R85 HydrophobicContact CZ2-CB 4.24Å; W66-R85 HydrophobicContact CZ3-CB 3.78Å; R85-T112 CarbonylContact O-C 3.52Å; R85-T112 WeakPolarHBondContact O-CA 3.15Å; R85-E113 HydrophobicContact CB-CB 4.45Å; R85-E113 PolarHBondContact N-O 2.91Å; R85-E113 PolarHBondContact O-N 2.88Å |
| 86 | V | 89.4 | Confident | 75.5 | Confident | 59 Ų | 59 | 77.9 Ų | 77.9 | 36% | 0.358 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 140.9 | 179.8 | -177.9 | 0 | 0 | 0 | 0 | 108.8 | S64 P110 E111 T112 | S64-V86 WeakPolarHBondContact CB-O 3.15Å; S64-V86 PolarHBondContact N-O 2.89Å; S64-V86 PolarHBondContact OG-N 2.82Å; S64-V86 PolarHBondContact OG-O 3.2Å; V86-P110 HydrophobicContact CG1-CB 4.34Å; V86-E111 CarbonylContact C-O 3.58Å; V86-E111 VanDerWaalsContact CA-O 3.26Å; V86-E111 WeakPolarHBondContact CA-O 2.98Å; V86-E111 WeakPolarHBondContact CG1-O 3.35Å; V86-T112 HydrophobicContact CG2-CG2 4.23Å |
| 87 | R | 87.5 | Confident | 73.7 | Confident | 67 Ų | 67 | 83.4 Ų | 83.4 | 25% | 0.253 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 130.8 | 166.3 | 62.3 | 177.6 | 174.1 | 167.4 | 6.9 | 109.5 | L60 W63 P110 E111 | L60-R87 HydrophobicContact CB-CG 3.97Å; L60-R87 HydrophobicContact CD1-CG 4.04Å; L60-R87 VanDerWaalsContact CD1-NE 3.29Å; L60-R87 HydrophobicContact CG-CG 4.48Å; W63-R87 HydrophobicContact CB-CB 4.38Å; W63-R87 HydrophobicContact CD2-CB 3.74Å; W63-R87 HydrophobicContact CD2-CG 3.77Å; W63-R87 HydrophobicContact CE3-CB 3.62Å; W63-R87 HydrophobicContact CE3-CG 3.67Å; W63-R87 HydrophobicContact CG-CB 4.05Å; W63-R87 HydrophobicContact CG-CG 4.44Å; W63-R87 HydrophobicContact CH2-CG 3.8Å; W63-R87 HydrophobicContact CZ2-CG 3.95Å; W63-R87 HydrophobicContact CZ3-CB 4.1Å; W63-R87 HydrophobicContact CZ3-CG 3.68Å; R87-P110 WeakPolarHBondContact O-CA 3.41Å; R87-E111 HydrophobicContact CG-CB 3.76Å; R87-E111 IonicContact CZ-OE1 3.74Å; R87-E111 IonicContact CZ-OE2 3.79Å; R87-E111 PolarHBondContact N-O 3.39Å; R87-E111 IonicContact NE-OE1 2.71Å; R87-E111 IonicContact NE-OE2 2.81Å; R87-E111 PolarHBondContact NE-OE2 2.87Å; R87-E111 IonicContact NH2-OE1 3.45Å; R87-E111 PolarHBondContact NH2-OE1 3.46Å; R87-E111 VanDerWaalsContact NH2-OE1 3.08Å; R87-E111 IonicContact NH2-OE2 3.72Å; R87-E111 PolarHBondContact NH2-OE2 3.14Å; R87-E111 PolarHBondContact O-N 3.19Å |
| 88 | S | 81.8 | Confident | 71.8 | Confident | 73 Ų | 73 | 87.4 Ų | 87.4 | 51% | 0.51 | 47% | 0.474 | S | S | . | . | P | Polyproline II helix | trans | -95.5 | 153.9 | 177 | 54.5 | 0 | 0 | 0 | 0 | 110.7 | G61 L90 | G61-S88 PolarHBondContact N-O 3.16Å; S88-L90 PolarHBondContact O-N 3.5Å |
| 89 | P | 75.5 | Confident | 70.4 | Confident | 39 Ų | 39 | 92 Ų | 92 | 25% | 0.253 | 51% | 0.508 | S | S | . | . | B | Isolated β-bridge | trans | -52.9 | 136.2 | 167.8 | -24.4 | 36 | 0 | 0 | 0 | 111.4 | L60 C108 | L60-P89 HydrophobicContact CD2-CB 4.36Å; L60-P89 HydrophobicContact CD2-CG 3.97Å; P89-C108 HydrophobicContact CB-CB 4.09Å; P89-C108 WeakPolarHBondContact CB-SG 2.97Å; P89-C108 HydrophobicContact CG-CB 3.84Å; P89-C108 WeakPolarHBondContact CG-O 3.38Å; P89-C108 WeakPolarHBondContact CG-SG 3.32Å |
| 90 | L | 66.1 | Low | 68.3 | Low | 73 Ų | 73 | 91 Ų | 91 | 38% | 0.382 | 52% | 0.516 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 134.9 | 165.7 | -69 | 176.5 | 0 | 0 | 0 | 108.6 | E59 G61 S88 Q92 | E59-L90 HydrophobicContact CG-CD1 4.07Å; E59-L90 WeakPolarHBondContact O-CB 3.06Å; E59-L90 PolarHBondContact O-N 2.65Å; G61-L90 VanDerWaalsContact CA-CD2 3.45Å; G61-L90 VanDerWaalsContact CA-CG 3.44Å; S88-L90 PolarHBondContact O-N 3.5Å; L90-Q92 PolarHBondContact O-N 2.01Å |
| 91 | P | 58.2 | Low | 65.9 | Low | 105 Ų | 105 | 87.7 Ų | 87.7 | 68% | 0.682 | 52% | 0.517 | S | S | * | . | trans | -61.7 | 112.2 | 167.8 | 24.5 | -29 | 0 | 0 | 0 | 107.3 | I93 | P91-I93 WeakPolarHBondContact O-CG1 2.93Å; P91-I93 PolarHBondContact O-N 3.18Å | ||
| 92 | Q | 54.6 | Low | 63.8 | Low | 101 Ų | 101 | 96.9 Ų | 96.9 | 47% | 0.472 | 55% | 0.548 | S | S | . | . | trans | -63.1 | 100.5 | 170.4 | -64.7 | -71.8 | -28.2 | 0 | 0 | 106.7 | L90 H94 | L90-Q92 PolarHBondContact O-N 2.01Å; Q92-H94 WeakPolarHBondContact CB-NE2 2.95Å; Q92-H94 PolarHBondContact O-N 3.33Å | ||
| 93 | I | 45.2 | Very low | 61.5 | Low | 158 Ų | 158 | 101 Ų | 101 | 81% | 0.81 | 57% | 0.572 | S | S | * | * | trans | -76.1 | 77.3 | 176.8 | -36.4 | 177.3 | 0 | 0 | 0 | 106.5 | P91 S95 | P91-I93 WeakPolarHBondContact O-CG1 2.93Å; P91-I93 PolarHBondContact O-N 3.18Å; I93-S95 PolarHBondContact O-N 3.28Å | ||
| 94 | H | 47.1 | Very low | 59.2 | Low | 145 Ų | 145 | 101.9 Ų | 101.9 | 67% | 0.671 | 58% | 0.58 | S | S | * | * | trans | -68.2 | 106.9 | 165.6 | -63.9 | -68.4 | 0 | 0 | 0 | 106.7 | Q92 | Q92-H94 WeakPolarHBondContact CB-NE2 2.95Å; Q92-H94 PolarHBondContact O-N 3.33Å | ||
| 95 | S | 40.7 | Very low | 57.1 | Low | 108 Ų | 108 | 104.4 Ų | 104.4 | 76% | 0.755 | 60% | 0.6 | S | S | * | * | trans | -50.8 | 136.9 | 177.8 | 45.3 | 0 | 0 | 0 | 0 | 111.5 | I93 D97 | I93-S95 PolarHBondContact O-N 3.28Å; S95-D97 PolarHBondContact O-N 3.01Å; S95-D97 VanDerWaalsContact O-N 3.16Å | ||
| 96 | V | 49.6 | Very low | 55.2 | Low | 148 Ų | 148 | 109.8 Ų | 109.8 | 90% | 0.897 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -53.8 | 107.7 | 178.8 | 179.9 | 0 | 0 | 0 | 0 | 111.3 | ||
| 97 | D | 46.1 | Very low | 53.4 | Low | 143 Ų | 143 | 112.2 Ų | 112.2 | 77% | 0.765 | 64% | 0.643 | S | S | * | * | -164.5 | 139.6 | 128.3 | -162.6 | 43.4 | 0 | 0 | 0 | 108.9 | S95 | S95-D97 PolarHBondContact O-N 3.01Å; S95-D97 VanDerWaalsContact O-N 3.16Å | |||
| 98 | T | 45.2 | Very low | 52.2 | Low | 121 Ų | 121 | 110.4 Ų | 110.4 | 74% | 0.742 | 64% | 0.64 | S | S | * | * | S | Bend | trans | 80.6 | 85.2 | -173.3 | -36.1 | 0 | 0 | 0 | 0 | 115.1 | ||
| 99 | S | 54.3 | Low | 51.8 | Low | 111 Ų | 111 | 110.3 Ų | 110.3 | 78% | 0.776 | 64% | 0.644 | S | S | * | * | trans | 19 | 94.8 | 151.2 | 171.4 | 0 | 0 | 0 | 0 | 116.3 | A101 | S99-A101 PolarHBondContact O-N 2.55Š| ||
| 100 | P | 42.8 | Very low | 52 | Low | 120 Ų | 120 | 112.4 Ų | 112.4 | 78% | 0.779 | 66% | 0.657 | S | S | * | * | trans | -84.2 | 106.1 | 173.9 | 31.8 | -26.9 | 0 | 0 | 0 | 108.5 | Y102 | P100-Y102 PolarHBondContact O-N 2.02Š| ||
| 101 | A | 40.3 | Very low | 52.9 | Low | 83 Ų | 83 | 112.7 Ų | 112.7 | 69% | 0.686 | 66% | 0.657 | S | S | * | * | trans | -53.3 | 116.8 | 147.9 | 0 | 0 | 0 | 0 | 0 | 105.8 | S99 V103 | S99-A101 PolarHBondContact O-N 2.55Å; A101-V103 PolarHBondContact O-N 3.39Å | ||
| 102 | Y | 45.5 | Very low | 54.3 | Low | 205 Ų | 205 | 112.1 Ų | 112.1 | 80% | 0.804 | 65% | 0.651 | S | S | * | * | trans | -55.1 | 90.9 | 176 | 178.5 | -97 | 0 | 0 | 0 | 108.5 | P100 P104 | P100-Y102 PolarHBondContact O-N 2.02Å; Y102-P104 HydrophobicContact CD1-CB 4.44Å; Y102-P104 HydrophobicContact CE1-CB 3.83Å; Y102-P104 HydrophobicContact CE1-CG 4.26Å; Y102-P104 WeakPolarHBondContact O-CD 3.2Å | ||
| 103 | V | 44.6 | Very low | 56 | Low | 126 Ų | 126 | 111.2 Ų | 111.2 | 76% | 0.764 | 65% | 0.647 | S | S | * | * | trans | -81.7 | 104 | 161 | -177.7 | 0 | 0 | 0 | 0 | 103.2 | A101 S105 | A101-V103 PolarHBondContact O-N 3.39Å; V103-S105 PolarHBondContact O-N 3.01Å | ||
| 104 | P | 44.1 | Very low | 58.2 | Low | 52 Ų | 52 | 112.7 Ų | 112.7 | 34% | 0.338 | 64% | 0.642 | S | S | . | * | trans | -55.1 | 125.8 | 171.7 | 23.4 | -30.7 | 0 | 0 | 0 | 106.1 | Y102 Q106 | Y102-P104 HydrophobicContact CD1-CB 4.44Å; Y102-P104 HydrophobicContact CE1-CB 3.83Å; Y102-P104 HydrophobicContact CE1-CG 4.26Å; Y102-P104 WeakPolarHBondContact O-CD 3.2Å; P104-Q106 HydrophobicContact CB-CG 4.47Å; P104-Q106 HydrophobicContact CG-CG 4.33Å; P104-Q106 PolarHBondContact O-N 3.33Å | ||
| 105 | S | 48.9 | Very low | 60.4 | Low | 98 Ų | 98 | 110.8 Ų | 110.8 | 69% | 0.685 | 63% | 0.629 | S | S | * | * | trans | -60.5 | 80.2 | 164.7 | -178 | 0 | 0 | 0 | 0 | 107 | V103 T107 | V103-S105 PolarHBondContact O-N 3.01Å; S105-T107 PolarHBondContact O-N 2.81Å | ||
| 106 | Q | 51.5 | Low | 62.9 | Low | 171 Ų | 171 | 115.2 Ų | 115.2 | 80% | 0.799 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | 4.9 | -166.3 | -130.8 | 177.6 | 14.4 | 0 | 0 | 111.9 | P104 | P104-Q106 HydrophobicContact CB-CG 4.47Å; P104-Q106 HydrophobicContact CG-CG 4.33Å; P104-Q106 PolarHBondContact O-N 3.33Å |
| 107 | T | 52.9 | Low | 64.8 | Low | 110 Ų | 110 | 109 Ų | 109 | 68% | 0.675 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.3 | -4.7 | -169.2 | 27.9 | 0 | 0 | 0 | 0 | 114.6 | S105 | S105-T107 PolarHBondContact O-N 2.81Š|
| 108 | C | 61.6 | Low | 67 | Low | 28 Ų | 28 | 107.7 Ų | 107.7 | 19% | 0.189 | 60% | 0.595 | C | S | . | * | trans | -97.8 | 99 | 177.7 | -160 | 0 | 0 | 0 | 0 | 112.6 | C58 P89 | C58-C108 HydrophobicContact CB-CB 3.75Å; C58-C108 WeakPolarHBondContact CB-SG 3.04Å; C58-C108 WeakPolarHBondContact SG-CB 3.21Å; C58-C108 CovalentContact SG-SG 1.99Å; C58-C108 PolarHBondContact SG-SG 2.81Å; P89-C108 HydrophobicContact CB-CB 4.09Å; P89-C108 WeakPolarHBondContact CB-SG 2.97Å; P89-C108 HydrophobicContact CG-CB 3.84Å; P89-C108 WeakPolarHBondContact CG-O 3.38Å; P89-C108 WeakPolarHBondContact CG-SG 3.32Å | ||
| 109 | A | 72.4 | Confident | 69 | Low | 72 Ų | 72 | 104.4 Ų | 104.4 | 60% | 0.595 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -87 | 141.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | E111 | A109-E111 PolarHBondContact O-N 3.05Š|
| 110 | P | 79.7 | Confident | 70.5 | Confident | 82 Ų | 82 | 104.7 Ų | 104.7 | 53% | 0.532 | 57% | 0.572 | S | S | . | * | P | Polyproline II helix | trans | -65.2 | 136.1 | 171.7 | 28.2 | -33.8 | 0 | 0 | 0 | 110.2 | V86 R87 | V86-P110 HydrophobicContact CG1-CB 4.34Å; R87-P110 WeakPolarHBondContact O-CA 3.41Å |
| 111 | E | 84.8 | Confident | 72.3 | Confident | 80 Ų | 80 | 105.5 Ų | 105.5 | 37% | 0.374 | 56% | 0.563 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.2 | 141.7 | 177 | -77.5 | -173.3 | -164.3 | 0 | 0 | 111.5 | L60 W63 V86 R87 A109 | L60-E111 HydrophobicContact CD1-CB 4.09Å; L60-E111 HydrophobicContact CD1-CG 3.5Å; L60-E111 WeakPolarHBondContact CD1-OE1 3.02Å; W63-E111 HydrophobicContact CH2-CB 4.01Å; W63-E111 HydrophobicContact CZ3-CB 4.46Å; V86-E111 CarbonylContact C-O 3.58Å; V86-E111 VanDerWaalsContact CA-O 3.26Å; V86-E111 WeakPolarHBondContact CA-O 2.98Å; V86-E111 WeakPolarHBondContact CG1-O 3.35Å; R87-E111 HydrophobicContact CG-CB 3.76Å; R87-E111 IonicContact CZ-OE1 3.74Å; R87-E111 IonicContact CZ-OE2 3.79Å; R87-E111 PolarHBondContact N-O 3.39Å; R87-E111 IonicContact NE-OE1 2.71Å; R87-E111 IonicContact NE-OE2 2.81Å; R87-E111 PolarHBondContact NE-OE2 2.87Å; R87-E111 IonicContact NH2-OE1 3.45Å; R87-E111 PolarHBondContact NH2-OE1 3.46Å; R87-E111 VanDerWaalsContact NH2-OE1 3.08Å; R87-E111 IonicContact NH2-OE2 3.72Å; R87-E111 PolarHBondContact NH2-OE2 3.14Å; R87-E111 PolarHBondContact O-N 3.19Å; A109-E111 PolarHBondContact O-N 3.05Å |
| 112 | T | 87.7 | Confident | 74.3 | Confident | 92 Ų | 92 | 105.3 Ų | 105.3 | 56% | 0.564 | 55% | 0.553 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -123.5 | 119.8 | 178.9 | -59.4 | 0 | 0 | 0 | 0 | 110.1 | T84 R85 V86 | T84-T112 HydrophobicContact CG2-CG2 3.3Å; R85-T112 CarbonylContact O-C 3.52Å; R85-T112 WeakPolarHBondContact O-CA 3.15Å; V86-T112 HydrophobicContact CG2-CG2 4.23Å |
| 113 | E | 91.7 | Very high | 75.9 | Confident | 82 Ų | 82 | 100.8 Ų | 100.8 | 38% | 0.383 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 136.7 | 175.5 | -161 | -169.3 | 161.6 | 0 | 0 | 110.3 | W63 W66 T84 R85 | W63-E113 HydrophobicContact CH2-CB 3.72Å; W63-E113 HydrophobicContact CZ2-CB 4.49Å; W63-E113 HydrophobicContact CZ3-CB 3.75Å; W66-E113 HydrophobicContact CH2-CB 3.96Å; W66-E113 HydrophobicContact CH2-CG 3.73Å; W66-E113 HydrophobicContact CZ2-CG 4.4Å; W66-E113 WeakPolarHBondContact CZ2-OE2 3.37Å; T84-E113 CarbonylContact C-O 3.56Å; T84-E113 VanDerWaalsContact CA-O 3.23Å; T84-E113 WeakPolarHBondContact CA-O 3.44Å; R85-E113 HydrophobicContact CB-CB 4.45Å; R85-E113 PolarHBondContact N-O 2.91Å; R85-E113 PolarHBondContact O-N 2.88Å |
| 114 | R | 90.9 | Very high | 77.7 | Confident | 190 Ų | 190 | 97.1 Ų | 97.1 | 72% | 0.717 | 53% | 0.529 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 123.4 | 176.1 | -174.9 | -174.5 | -66 | -175.2 | 1.9 | 111 | Q83 | Q83-R114 CarbonylContact O-C 3.51Å; Q83-R114 WeakPolarHBondContact O-CA 3.41Å |
| 115 | R | 92.9 | Very high | 79.4 | Confident | 105 Ų | 105 | 100.1 Ų | 100.1 | 40% | 0.396 | 55% | 0.548 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 150.8 | 173.5 | 72.3 | -176.1 | 175.4 | -176.3 | 0.9 | 112.7 | W66 S82 Q83 | W66-R115 VanDerWaalsContact CB-NH2 3.3Å; W66-R115 HydrophobicContact CD2-CG 4.33Å; W66-R115 VanDerWaalsContact CE2-NH1 3.33Å; W66-R115 HydrophobicContact CE3-CG 3.78Å; W66-R115 HydrophobicContact CH2-CB 3.82Å; W66-R115 HydrophobicContact CH2-CG 3.66Å; W66-R115 HydrophobicContact CZ2-CG 4.22Å; W66-R115 HydrophobicContact CZ3-CB 3.95Å; W66-R115 HydrophobicContact CZ3-CG 3.43Å; W66-R115 VanDerWaalsContact CZ3-CG 3.43Å; W66-R115 VanDerWaalsContact NE1-CZ 3.3Å; S82-R115 CarbonylContact C-O 3.51Å; S82-R115 VanDerWaalsContact CA-O 3.23Å; S82-R115 WeakPolarHBondContact CA-O 3.41Å; Q83-R115 HydrophobicContact CB-CG 3.96Å; Q83-R115 PolarHBondContact N-O 3.07Å; Q83-R115 PolarHBondContact O-N 2.73Å |
| 116 | K | 92.4 | Very high | 80.5 | Confident | 201 Ų | 201 | 106.3 Ų | 106.3 | 87% | 0.874 | 56% | 0.556 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -78.4 | 142.1 | 173 | -66 | 173.4 | -175.3 | 168.1 | 0 | 109.3 | ||
| 117 | C | 90.6 | Very high | 81.1 | Confident | 17 Ų | 17 | 105.4 Ų | 105.4 | 12% | 0.115 | 56% | 0.557 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -133.7 | 149.4 | 177 | 50.6 | 0 | 0 | 0 | 0 | 110.3 | C69 K80 G81 S82 Q83 | C69-C117 WeakPolarHBondContact CA-SG 3.29Å; C69-C117 HydrophobicContact CB-CB 3.85Å; C69-C117 WeakPolarHBondContact CB-SG 3.46Å; C69-C117 WeakPolarHBondContact SG-CB 3.48Å; C69-C117 CovalentContact SG-SG 2.01Å; C69-C117 PolarHBondContact SG-SG 3.45Å; K80-C117 CarbonylContact C-O 3.57Å; K80-C117 WeakPolarHBondContact CA-O 3.37Å; G81-C117 PolarHBondContact N-O 3.32Å; G81-C117 PolarHBondContact O-N 3.11Å; G81-C117 PolarHBondContact O-SG 2.83Å; G81-C117 VanDerWaalsContact O-SG 3.41Å; S82-C117 VanDerWaalsContact C-SG 3.53Å; S82-C117 PolarHBondContact N-SG 3.07Å; S82-C117 VanDerWaalsContact N-SG 3.38Å; Q83-C117 HydrophobicContact CG-CB 4.08Å |
| 118 | V | 91.3 | Very high | 81.2 | Confident | 116 Ų | 116 | 110.7 Ų | 110.7 | 70% | 0.703 | 57% | 0.571 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -120 | 128.3 | 175.9 | -175.1 | 0 | 0 | 0 | 0 | 107.6 | K79 K80 | K79-V118 CarbonylContact O-C 3.5Å; K79-V118 VanDerWaalsContact O-CA 3.23Å; K79-V118 WeakPolarHBondContact O-CA 3.36Å; K79-V118 VanDerWaalsContact O-CG1 3.27Å; K79-V118 WeakPolarHBondContact O-CG1 3.39Å; K80-V118 HydrophobicContact CG-CG2 4.35Å |
| 119 | V | 88.3 | Confident | 80.8 | Confident | 52 Ų | 52 | 118.2 Ų | 118.2 | 32% | 0.315 | 60% | 0.6 | S | S | . | * | trans | -132 | 161.3 | -177.3 | -64.6 | 0 | 0 | 0 | 0 | 110.9 | C69 F78 K79 | C69-V119 HydrophobicContact CB-CG1 3.57Å; F78-V119 HydrophobicContact CD2-CG2 3.72Å; F78-V119 HydrophobicContact CE2-CG2 3.31Å; F78-V119 HydrophobicContact CZ-CG2 4.04Å; K79-V119 WeakPolarHBondContact CA-O 3.48Å; K79-V119 PolarHBondContact O-N 3.03Å | ||
| 120 | T | 84.6 | Confident | 79.5 | Confident | 117 Ų | 117 | 121.8 Ų | 121.8 | 72% | 0.718 | 61% | 0.609 | S | S | * | * | trans | -67.1 | 142.1 | 168.8 | 49.3 | 0 | 0 | 0 | 0 | 109.7 | T122 | T120-T122 VanDerWaalsContact C-N 3.35Å; T120-T122 PolarHBondContact O-N 3.21Å | ||
| 121 | K | 80.8 | Confident | 78.1 | Confident | 137 Ų | 137 | 127.9 Ų | 127.9 | 60% | 0.596 | 63% | 0.627 | S | S | * | * | trans | -76.6 | 87.7 | -176.7 | -172.5 | -173.1 | 175.7 | -173.3 | 0 | 109.5 | K79 | K79-K121 HydrophobicContact CG-CB 3.99Š| ||
| 122 | T | 82.3 | Confident | 76.4 | Confident | 79 Ų | 79 | 128.7 Ų | 128.7 | 49% | 0.485 | 64% | 0.642 | S | S | . | * | P | Polyproline II helix | trans | -70.4 | 127.1 | 173.1 | -47.7 | 0 | 0 | 0 | 0 | 109.5 | G77 T120 C124 | G77-T122 WeakPolarHBondContact CA-O 3.39Å; G77-T122 PolarHBondContact N-O 3.1Å; T120-T122 VanDerWaalsContact C-N 3.35Å; T120-T122 PolarHBondContact O-N 3.21Å; T122-C124 PolarHBondContact O-N 2.99Å |
| 123 | P | 80.3 | Confident | 74.6 | Confident | 109 Ų | 109 | 131.2 Ų | 131.2 | 71% | 0.708 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 132.3 | 174.8 | 24.6 | -31.6 | 0 | 0 | 0 | 109.8 | ||
| 124 | C | 81.7 | Confident | 72.7 | Confident | 50 Ų | 50 | 139 Ų | 139 | 34% | 0.338 | 68% | 0.677 | S | S | . | * | P | Polyproline II helix | trans | -66.9 | 140.2 | 173.4 | -67 | 0 | 0 | 0 | 0 | 109.7 | C76 T122 R126 | C76-C124 HydrophobicContact CB-CB 3.89Å; C76-C124 WeakPolarHBondContact CB-SG 3.4Å; C76-C124 PolarHBondContact O-SG 3.43Å; C76-C124 WeakPolarHBondContact SG-CA 3.26Å; C76-C124 WeakPolarHBondContact SG-CB 3.39Å; C76-C124 CovalentContact SG-SG 2.03Å; C76-C124 PolarHBondContact SG-SG 3.23Å; T122-C124 PolarHBondContact O-N 2.99Å; C124-R126 PolarHBondContact O-N 3.03Å |
| 125 | P | 80.4 | Confident | 70.8 | Confident | 114 Ų | 114 | 137.7 Ų | 137.7 | 74% | 0.74 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 120.3 | 166 | 24.7 | -31.4 | 0 | 0 | 0 | 107.1 | D127 | P125-D127 PolarHBondContact O-N 2.77Š|
| 126 | R | 71.8 | Confident | 68.7 | Low | 228 Ų | 228 | 138.6 Ų | 138.6 | 86% | 0.86 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 118 | 174.4 | -66.6 | -176.6 | -178.6 | -155.5 | 3.4 | 106.3 | C124 K128 | C124-R126 PolarHBondContact O-N 3.03Å; R126-K128 PolarHBondContact O-N 3.4Å; R126-K128 VanDerWaalsContact O-N 3.08Å |
| 127 | D | 63.6 | Low | 66.9 | Low | 152 Ų | 152 | 136.3 Ų | 136.3 | 81% | 0.813 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 119.1 | 159.1 | -65.4 | -68.6 | 0 | 0 | 0 | 107 | P125 K129 | P125-D127 PolarHBondContact O-N 2.77Å; D127-K129 PolarHBondContact O-N 2.81Å |
| 128 | K | 54.7 | Low | 65 | Low | 222 Ų | 222 | 140.6 Ų | 140.6 | 97% | 0.965 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -69.9 | 53.8 | 174.8 | -73.6 | 179.6 | 176.4 | 173.2 | 0 | 110.2 | R126 | R126-K128 PolarHBondContact O-N 3.4Å; R126-K128 VanDerWaalsContact O-N 3.08Å |
| 129 | K | 53.5 | Low | 62.8 | Low | 186 Ų | 186 | 140.7 Ų | 140.7 | 81% | 0.809 | 71% | 0.712 | S | S | * | * | trans | -140.9 | 62.6 | 179 | -158.1 | 170.4 | -173.9 | 175.6 | 0 | 111.9 | D127 | D127-K129 PolarHBondContact O-N 2.81Š| ||
| 130 | N | 44.8 | Very low | 60.9 | Low | 146 Ų | 146 | 148.3 Ų | 148.3 | 78% | 0.781 | 74% | 0.735 | S | S | * | * | -179.9 | 99.4 | 121.1 | -114.6 | -19.4 | 0 | 0 | 0 | 108.9 | S132 | N130-S132 PolarHBondContact O-N 3.06Š| |||
| 131 | K | 50.5 | Low | 59.2 | Low | 211 Ų | 211 | 152.2 Ų | 152.2 | 92% | 0.917 | 74% | 0.737 | S | S | * | * | trans | -87 | 73.4 | 165.2 | -162.1 | 178.7 | -172.6 | 176.5 | 0 | 106.5 | ||||
| 132 | S | 50.6 | Low | 57.6 | Low | 97 Ų | 97 | 153.5 Ų | 153.5 | 68% | 0.678 | 75% | 0.745 | S | S | * | * | trans | -159.9 | 135.8 | 166 | -175.5 | 0 | 0 | 0 | 0 | 107.9 | N130 | N130-S132 PolarHBondContact O-N 3.06Š| ||
| 133 | N | 48.2 | Very low | 55.9 | Low | 144 Ų | 144 | 157 Ų | 157 | 77% | 0.77 | 76% | 0.76 | S | S | * | * | S | Bend | trans | 92.1 | 32.7 | 174 | -143.7 | 28.2 | 0 | 0 | 0 | 119 | ||
| 134 | R | 53.1 | Low | 54.4 | Low | 246 Ų | 246 | 155.6 Ų | 155.6 | 93% | 0.928 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -136.6 | 23.7 | 162 | -89.5 | -161 | 178.9 | 117.4 | -0.4 | 114.3 | ||
| 135 | Q | 51.5 | Low | 53 | Low | 162 Ų | 162 | 163.9 Ų | 163.9 | 76% | 0.757 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -134.3 | 24.3 | -178 | -143.9 | 165.6 | -0.3 | 0 | 0 | 113.4 | ||
| 136 | D | 48.5 | Very low | 51.6 | Low | 125 Ų | 125 | 161.5 Ų | 161.5 | 67% | 0.668 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -114.1 | -3 | 175.4 | -163.7 | -117 | 0 | 0 | 0 | 113.8 | ||
| 137 | D | 53.4 | Low | 50.4 | Low | 152 Ų | 152 | 162.2 Ų | 162.2 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -95.5 | -15.3 | -179 | -86.3 | -68.6 | 0 | 0 | 0 | 114.6 | ||
| 138 | T | 51.6 | Low | 49.3 | Very low | 108 Ų | 108 | 158.5 Ų | 158.5 | 66% | 0.663 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -89.3 | -27.4 | -177.5 | 27.3 | 0 | 0 | 0 | 0 | 114.3 | ||
| 139 | N | 45 | Very low | 48.6 | Very low | 117 Ų | 117 | 159.2 Ų | 159.2 | 63% | 0.626 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | -13.9 | -177.6 | -86.7 | -57.1 | 0 | 0 | 0 | 114.7 | R141 | N139-R141 VanDerWaalsContact C-N 3.35Š|
| 140 | R | 47.6 | Very low | 47.6 | Very low | 212 Ų | 212 | 159.6 Ų | 159.6 | 80% | 0.8 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -9.2 | 178.1 | -164.2 | 173.7 | 176.1 | -154.5 | -0.8 | 113.7 | ||
| 141 | R | 49.3 | Very low | 47.2 | Very low | 200 Ų | 200 | 156.2 Ų | 156.2 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.3 | -22.4 | -179.4 | -154.5 | 172.1 | -174.1 | -176.3 | 0.7 | 113.5 | N139 | N139-R141 VanDerWaalsContact C-N 3.35Š|
| 142 | E | 46.8 | Very low | 46.7 | Very low | 163 Ų | 163 | 156.6 Ų | 156.6 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | -33.7 | 179.2 | -121.9 | 179.6 | 128.7 | 0 | 0 | 112.8 | A144 | E142-A144 PolarHBondContact O-N 3.24Š|
| 143 | N | 46.4 | Very low | 45.7 | Very low | 153 Ų | 153 | 155.7 Ų | 155.7 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | -5.9 | -177.7 | -103.7 | -18 | 0 | 0 | 0 | 115.5 | ||
| 144 | A | 49.7 | Very low | 45 | Very low | 80 Ų | 80 | 152.8 Ų | 152.8 | 66% | 0.661 | 79% | 0.792 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | -3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | E142 | E142-A144 PolarHBondContact O-N 3.24Š|
| 145 | R | 52.1 | Low | 44 | Very low | 223 Ų | 223 | 145.3 Ų | 145.3 | 84% | 0.842 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -91.3 | 0 | 178.5 | -71.7 | -176 | 173.6 | 168.9 | -2.8 | 114.2 | ||
| 146 | G | 51.5 | Low | 43.1 | Very low | 64 Ų | 64 | 141.4 Ų | 141.4 | 66% | 0.66 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -112.2 | -2.7 | -166.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||
| 147 | R | 46.2 | Very low | 42.4 | Very low | 243 Ų | 243 | 139.3 Ų | 139.3 | 92% | 0.917 | 80% | 0.803 | S | S | * | * | trans | -142.6 | 124.3 | 179.2 | -69.6 | -171.6 | 178.2 | -177.6 | -0.8 | 112.4 | ||||
| 148 | G | 39.6 | Very low | 41.8 | Very low | 75 Ų | 75 | 135.9 Ų | 135.9 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | trans | -87 | -175.1 | -170.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 149 | R | 39.8 | Very low | 41.4 | Very low | 237 Ų | 237 | 140.9 Ų | 140.9 | 89% | 0.894 | 82% | 0.816 | S | S | * | * | trans | 61.1 | 115.3 | 158.2 | -83.3 | -176.8 | 170.4 | 177.3 | -3.8 | 119.4 | ||||
| 150 | E | 34 | Very low | 41.5 | Very low | 193 Ų | 193 | 147.1 Ų | 147.1 | 90% | 0.902 | 83% | 0.83 | S | S | * | * | trans | 75.1 | 132 | 131.9 | -147.1 | 179.3 | 119.5 | 0 | 0 | 119.1 | ||||
| 151 | G | 36.8 | Very low | 41.5 | Very low | 76 Ų | 76 | 148.9 Ų | 148.9 | 78% | 0.784 | 84% | 0.837 | S | S | * | * | trans | 147.9 | 108.1 | 162.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 152 | K | 38.2 | Very low | 41.1 | Very low | 218 Ų | 218 | 149.2 Ų | 149.2 | 95% | 0.948 | 84% | 0.844 | S | S | * | * | trans | -43 | 151 | 170 | -83.6 | 165.8 | 161.7 | 172.4 | 0 | 115.6 | ||||
| 153 | G | 31.2 | Very low | 40.6 | Very low | 78 Ų | 78 | 144.8 Ų | 144.8 | 80% | 0.804 | 84% | 0.843 | S | S | * | * | 126.1 | 119.2 | 124.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 154 | G | 33.3 | Very low | 40.7 | Very low | 83 Ų | 83 | 145.8 Ų | 145.8 | 86% | 0.856 | 84% | 0.842 | S | S | * | * | trans | 85.5 | 91.3 | 134.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 155 | G | 32.5 | Very low | 40.4 | Very low | 90 Ų | 90 | 147.8 Ų | 147.8 | 93% | 0.928 | 85% | 0.851 | S | S | * | * | trans | -68.5 | 134.8 | 168 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 156 | G | 32.5 | Very low | 40 | Very low | 79 Ų | 79 | 147.8 Ų | 147.8 | 81% | 0.814 | 85% | 0.851 | S | S | * | * | trans | -124.8 | 144.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 157 | G | 34 | Very low | 39.5 | Very low | 82 Ų | 82 | 151.3 Ų | 151.3 | 85% | 0.845 | 86% | 0.86 | S | S | * | * | trans | 121.9 | 92.4 | 144.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 158 | G | 40.2 | Very low | 39.4 | Very low | 79 Ų | 79 | 146.2 Ų | 146.2 | 81% | 0.814 | 86% | 0.856 | S | S | * | * | 78.5 | 86.7 | 121.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | R160 | G158-R160 PolarHBondContact O-N 2.71Š| |||
| 159 | K | 42.7 | Very low | 39.7 | Very low | 214 Ų | 214 | 149.3 Ų | 149.3 | 93% | 0.93 | 86% | 0.861 | S | S | * | * | trans | -70.3 | 115 | 158.3 | -76.4 | 174.9 | 175.6 | 173.2 | 0 | 110 | ||||
| 160 | R | 47.6 | Very low | 39.8 | Very low | 247 Ų | 247 | 142.7 Ų | 142.7 | 93% | 0.932 | 86% | 0.856 | S | S | * | * | trans | -113.4 | 115.5 | 159 | -84.4 | -173.7 | 159.5 | -171.9 | -5.3 | 109.7 | G158 | G158-R160 PolarHBondContact O-N 2.71Š| ||
| 161 | R | 46.9 | Very low | 40.3 | Very low | 250 Ų | 250 | 139.1 Ų | 139.1 | 94% | 0.943 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 136.8 | -179.4 | -78.3 | 179.6 | 165.3 | -178.2 | -4.1 | 110.8 | ||
| 162 | K | 41.7 | Very low | 40.5 | Very low | 206 Ų | 206 | 141.7 Ų | 141.7 | 90% | 0.896 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 121.5 | 178 | -174.7 | 164.8 | 179 | 174.4 | 0 | 109.7 | ||
| 163 | G | 36.9 | Very low | 41 | Very low | 71 Ų | 71 | 137.6 Ų | 137.6 | 73% | 0.732 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -64 | 141.5 | 172 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 164 | Q | 47.2 | Very low | 41.8 | Very low | 173 Ų | 173 | 139.3 Ų | 139.3 | 81% | 0.808 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 129.6 | -176.6 | -171.8 | 176.9 | 47.6 | 0 | 0 | 109.8 | R166 | Q164-R166 HydrophobicContact CG-CG 4.36Š|
| 165 | S | 42.7 | Very low | 42.5 | Very low | 122 Ų | 122 | 141.8 Ų | 141.8 | 85% | 0.853 | 84% | 0.84 | S | S | * | * | trans | -121.3 | 110.9 | 159 | -65.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 166 | R | 45.3 | Very low | 43.2 | Very low | 223 Ų | 223 | 142.9 Ų | 142.9 | 84% | 0.842 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 119.1 | 177.3 | -65.6 | 163.6 | 98.4 | 173.1 | 4.4 | 108.4 | Q164 | Q164-R166 HydrophobicContact CG-CG 4.36Š|
| 167 | T | 39.5 | Very low | 44.1 | Very low | 138 Ų | 138 | 143.4 Ų | 143.4 | 85% | 0.847 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 116.2 | 158.8 | 23.8 | 0 | 0 | 0 | 0 | 108.1 | ||
| 168 | T | 45.4 | Very low | 44.7 | Very low | 137 Ų | 137 | 145.9 Ų | 145.9 | 84% | 0.84 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 129.8 | 169.3 | 29.4 | 0 | 0 | 0 | 0 | 110 | ||
| 169 | T | 44.5 | Very low | 45.1 | Very low | 140 Ų | 140 | 151.9 Ų | 151.9 | 86% | 0.859 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 130.1 | 173.4 | 34.9 | 0 | 0 | 0 | 0 | 111.7 | ||
| 170 | A | 42.3 | Very low | 45.2 | Very low | 97 Ų | 97 | 148.8 Ų | 148.8 | 80% | 0.802 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -103.3 | 132.7 | 162 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||
| 171 | S | 44.6 | Very low | 45 | Very low | 119 Ų | 119 | 143.6 Ų | 143.6 | 83% | 0.832 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 135.6 | -167.4 | -47 | 0 | 0 | 0 | 0 | 113.8 | ||
| 172 | T | 42.2 | Very low | 44.9 | Very low | 130 Ų | 130 | 137.7 Ų | 137.7 | 80% | 0.798 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 118.1 | 168.3 | -53 | 0 | 0 | 0 | 0 | 108.9 | ||
| 173 | V | 46.9 | Very low | 45.1 | Very low | 131 Ų | 131 | 133.6 Ų | 133.6 | 79% | 0.794 | 83% | 0.832 | S | S | * | * | trans | -82.5 | 112.7 | 166.8 | 176.1 | 0 | 0 | 0 | 0 | 107.4 | T175 | V173-T175 PolarHBondContact O-N 3.16Š| ||
| 174 | T | 49.7 | Very low | 45.6 | Very low | 114 Ų | 114 | 137.6 Ų | 137.6 | 70% | 0.699 | 84% | 0.838 | S | S | * | * | trans | -79.9 | 107.3 | 174.2 | -49.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 175 | T | 46.3 | Very low | 45.5 | Very low | 136 Ų | 136 | 135.2 Ų | 135.2 | 83% | 0.834 | 84% | 0.84 | S | S | * | * | trans | -75.3 | 120.6 | 161.4 | 22.2 | 0 | 0 | 0 | 0 | 108.6 | V173 | V173-T175 PolarHBondContact O-N 3.16Š| ||
| 176 | S | 47.5 | Very low | 45.7 | Very low | 112 Ų | 112 | 136.1 Ų | 136.1 | 78% | 0.783 | 84% | 0.839 | S | S | * | * | trans | -111.3 | 125.1 | 165.2 | -55.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 177 | A | 52.8 | Low | 45.8 | Very low | 90 Ų | 90 | 129.5 Ų | 129.5 | 74% | 0.744 | 84% | 0.839 | S | S | * | * | trans | -126.1 | 159.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 178 | V | 45.6 | Very low | 46.3 | Very low | 135 Ų | 135 | 128.8 Ų | 128.8 | 82% | 0.818 | 84% | 0.838 | S | S | * | * | trans | 86 | 121.3 | 173.7 | -165.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 179 | T | 47.8 | Very low | 46.4 | Very low | 204 Ų | 204 | 128 Ų | 128 | 100% | 1.252 | 84% | 0.838 | S | S | * | * | cis | -147.1 | 0 | 32 | -40.1 | 0 | 0 | 0 | 0 | 110.3 |
Retrieved 179 of 179 residues in 354 ms
(Link to these results)