| 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 | 30.1 | Very low | 41.9 | Very low | 227 Ų | 227 | 102 Ų | 102 | 100% | 1.118 | 55% | 0.553 | S | S | * | * | 0 | 120.8 | 0 | -61.6 | -164.5 | 175.1 | 0 | 0 | 108.7 | T3 | M1-T3 PolarHBondContact O-N 2.94Š| |||
| 2 | P | 32.6 | Very low | 42.5 | Very low | 129 Ų | 129 | 99.4 Ų | 99.4 | 84% | 0.838 | 53% | 0.534 | S | S | * | . | trans | -75.4 | 106.4 | 176.1 | 29.1 | -29.3 | 0 | 0 | 0 | 109.1 | K4 | P2-K4 PolarHBondContact O-N 2.67Š| ||
| 3 | T | 31.5 | Very low | 42.6 | Very low | 127 Ų | 127 | 98.5 Ų | 98.5 | 78% | 0.779 | 52% | 0.524 | S | S | * | . | trans | -61.8 | 117.3 | 171.9 | 44.2 | 0 | 0 | 0 | 0 | 109.2 | M1 S5 | M1-T3 PolarHBondContact O-N 2.94Å; T3-S5 PolarHBondContact O-N 3.37Å | ||
| 4 | K | 38.8 | Very low | 42.4 | Very low | 213 Ų | 213 | 105.6 Ų | 105.6 | 93% | 0.926 | 54% | 0.54 | S | S | * | . | trans | -61.8 | 75.5 | 166.7 | -80.9 | 178.2 | 175.3 | 174.2 | 0 | 109.6 | P2 G6 | P2-K4 PolarHBondContact O-N 2.67Å; K4-G6 PolarHBondContact O-N 2.98Å | ||
| 5 | S | 38.1 | Very low | 42.5 | Very low | 86 Ų | 86 | 108.8 Ų | 108.8 | 60% | 0.601 | 56% | 0.559 | S | S | * | * | trans | -79.1 | 105.9 | 166.6 | -173 | 0 | 0 | 0 | 0 | 106.9 | T3 R7 | T3-S5 PolarHBondContact O-N 3.37Å; S5-R7 VanDerWaalsContact C-N 3.33Å; S5-R7 PolarHBondContact O-N 3.48Å | ||
| 6 | G | 44.4 | Very low | 42.7 | Very low | 58 Ų | 58 | 103.4 Ų | 103.4 | 60% | 0.598 | 54% | 0.539 | S | S | * | . | trans | -64.5 | 91.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110 | K4 | K4-G6 PolarHBondContact O-N 2.98Š| ||
| 7 | R | 48.6 | Very low | 42.9 | Very low | 99 Ų | 99 | 103.8 Ų | 103.8 | 37% | 0.374 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 128.3 | -179.3 | -70.5 | 179.5 | -178.8 | -177.6 | -2 | 109.3 | S5 A23 M28 | S5-R7 VanDerWaalsContact C-N 3.33Å; S5-R7 PolarHBondContact O-N 3.48Å; R7-A23 WeakPolarHBondContact O-CB 2.91Å; R7-A23 PolarHBondContact O-N 2.95Å; R7-M28 PolarHBondContact NH1-SD 3.08Å |
| 8 | K | 50.9 | Low | 43.4 | Very low | 148 Ų | 148 | 102 Ų | 102 | 64% | 0.643 | 54% | 0.544 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 136.5 | 173.6 | -63.4 | 173.7 | -176.5 | 170.5 | 0 | 108.1 | ||
| 9 | C | 48.2 | Very low | 43.9 | Very low | 3 Ų | 3 | 98.6 Ų | 98.6 | 2% | 0.02 | 53% | 0.528 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 149 | 167.7 | 56.3 | 0 | 0 | 0 | 0 | 109.8 | G21 A23 C40 C105 | C9-G21 PolarHBondContact N-O 2.06Å; C9-G21 CarbonylContact O-C 3.58Å; C9-G21 WeakPolarHBondContact O-CA 3.42Å; C9-G21 PolarHBondContact O-N 2.79Å; C9-G21 VanDerWaalsContact O-O 3.06Å; C9-A23 HydrophobicContact CB-CB 3.97Å; C9-C40 WeakPolarHBondContact CB-SG 3.02Å; C9-C40 WeakPolarHBondContact SG-CB 3.4Å; C9-C40 CovalentContact SG-SG 2.04Å; C9-C40 PolarHBondContact SG-SG 3.11Å; C9-C105 HydrophobicContact CB-CB 4.22Å |
| 10 | L | 48.7 | Very low | 44.2 | Very low | 16 Ų | 16 | 100.6 Ų | 100.6 | 8% | 0.084 | 53% | 0.531 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 145.1 | 159.9 | -81.4 | 137.9 | 0 | 0 | 0 | 108.4 | P18 L100 K104 | L10-P18 HydrophobicContact CD2-CB 3.76Å; L10-L100 HydrophobicContact CD1-CD1 3.96Å; L10-L100 HydrophobicContact CD1-CD2 3.74Å; L10-L100 HydrophobicContact CD1-CG 4.34Å; L10-L100 HydrophobicContact CD2-CD1 4.38Å; L10-L100 HydrophobicContact CG-CD2 4.12Å; L10-K104 HydrophobicContact CD1-CG 4.23Å |
| 11 | V | 49.4 | Very low | 44.6 | Very low | 16 Ų | 16 | 95.9 Ų | 95.9 | 10% | 0.097 | 51% | 0.507 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 106.1 | 170.9 | 178.3 | 0 | 0 | 0 | 0 | 106.4 | T19 C40 V107 | V11-T19 PolarHBondContact N-O 3.33Å; V11-T19 PolarHBondContact O-N 2.66Å; V11-T19 PolarHBondContact O-OG1 3.41Å; V11-C40 HydrophobicContact CG2-CB 3.92Å; V11-V107 HydrophobicContact CG1-CG2 3.99Å |
| 12 | H | 48.2 | Very low | 45.4 | Very low | 71 Ų | 71 | 87.6 Ų | 87.6 | 33% | 0.329 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 131.2 | 169.2 | -76 | -94.1 | 0 | 0 | 0 | 109.2 | I106 | H12-I106 HydrophobicContact CB-CG2 4.39Å |
| 13 | Q | 43.8 | Very low | 46.2 | Very low | 88 Ų | 88 | 82 Ų | 82 | 41% | 0.411 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 143.8 | 165.2 | -68.3 | -170.6 | -32.9 | 0 | 0 | 107.3 | D15 G16 | Q13-D15 PolarHBondContact O-N 2.85Å; Q13-D15 VanDerWaalsContact O-N 3.08Å; Q13-G16 PolarHBondContact O-N 2.64Å |
| 14 | R | 40.6 | Very low | 47 | Very low | 198 Ų | 198 | 79.6 Ų | 79.6 | 75% | 0.747 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.5 | -36.1 | -175.4 | -172.9 | 175.6 | 173.6 | 171.8 | -4.2 | 113.1 | ||
| 15 | D | 43.6 | Very low | 47.4 | Very low | 153 Ų | 153 | 72.9 Ų | 72.9 | 82% | 0.818 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.8 | 20.8 | -174.6 | -54.1 | -76.9 | 0 | 0 | 0 | 112.6 | Q13 | Q13-D15 PolarHBondContact O-N 2.85Å; Q13-D15 VanDerWaalsContact O-N 3.08Å |
| 16 | G | 45.2 | Very low | 47.7 | Very low | 23 Ų | 23 | 70.8 Ų | 70.8 | 24% | 0.237 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 152 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q13 | Q13-G16 PolarHBondContact O-N 2.64Å |
| 17 | P | 47.2 | Very low | 47.7 | Very low | 109 Ų | 109 | 74.2 Ų | 74.2 | 71% | 0.708 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 144.5 | 175.2 | 25.6 | -33.3 | 0 | 0 | 0 | 110.2 | T19 | P17-T19 PolarHBondContact O-N 2.73Å |
| 18 | P | 52 | Low | 47.5 | Very low | 72 Ų | 72 | 73.9 Ų | 73.9 | 47% | 0.468 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 125.8 | -179.6 | 24 | -32.8 | 0 | 0 | 0 | 110.3 | L10 | L10-P18 HydrophobicContact CD2-CB 3.76Å |
| 19 | T | 51.4 | Low | 47.1 | Very low | 38 Ų | 38 | 68.2 Ų | 68.2 | 23% | 0.233 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 138 | -179.8 | 48.3 | 0 | 0 | 0 | 0 | 111 | V11 P17 R42 | V11-T19 PolarHBondContact N-O 3.33Å; V11-T19 PolarHBondContact O-N 2.66Å; V11-T19 PolarHBondContact O-OG1 3.41Å; P17-T19 PolarHBondContact O-N 2.73Å; T19-R42 PolarHBondContact OG1-NE 3Å; T19-R42 PolarHBondContact OG1-NH2 3Å; T19-R42 VanDerWaalsContact OG1-NH2 3.08Å |
| 20 | K | 51.4 | Low | 47 | Very low | 137 Ų | 137 | 78.6 Ų | 78.6 | 60% | 0.596 | 44% | 0.435 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 127.8 | 176.9 | -68 | 178.9 | -178.7 | 172 | 0 | 110 | ||
| 21 | G | 52 | Low | 46.5 | Very low | 3 Ų | 3 | 81.7 Ų | 81.7 | 3% | 0.031 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 164.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | C9 R41 | C9-G21 PolarHBondContact N-O 2.06Å; C9-G21 CarbonylContact O-C 3.58Å; C9-G21 WeakPolarHBondContact O-CA 3.42Å; C9-G21 PolarHBondContact O-N 2.79Å; C9-G21 VanDerWaalsContact O-O 3.06Å; G21-R41 CarbonylContact C-O 3.59Å; G21-R41 VanDerWaalsContact CA-O 3.3Å; G21-R41 WeakPolarHBondContact CA-O 3.03Å |
| 22 | V | 46.4 | Very low | 46 | Very low | 53 Ų | 53 | 82.7 Ų | 82.7 | 32% | 0.321 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 122.5 | 168.2 | -177.3 | 0 | 0 | 0 | 0 | 107.4 | R41 | V22-R41 PolarHBondContact N-O 3.37Å; V22-R41 PolarHBondContact O-N 2.97Å |
| 23 | A | 49.8 | Very low | 45.4 | Very low | 10 Ų | 10 | 86.7 Ų | 86.7 | 8% | 0.083 | 49% | 0.489 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 125.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | R7 C9 | R7-A23 WeakPolarHBondContact O-CB 2.91Å; R7-A23 PolarHBondContact O-N 2.95Å; C9-A23 HydrophobicContact CB-CB 3.97Å |
| 24 | S | 48.7 | Very low | 45.4 | Very low | 78 Ų | 78 | 85.7 Ų | 85.7 | 55% | 0.545 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 141.7 | 171.2 | -76.2 | 0 | 0 | 0 | 0 | 109.7 | S39 | S24-S39 PolarHBondContact N-O 3.34Å; S24-S39 PolarHBondContact O-N 2.04Å |
| 25 | G | 46.6 | Very low | 45.2 | Very low | 72 Ų | 72 | 82.4 Ų | 82.4 | 74% | 0.742 | 48% | 0.478 | S | S | * | . | S | Bend | trans | 87.2 | 11.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | N27 | G25-N27 PolarHBondContact O-N 3.49Š|
| 26 | C | 45.8 | Very low | 45.4 | Very low | 42 Ų | 42 | 79.2 Ų | 79.2 | 28% | 0.284 | 46% | 0.456 | S | S | . | . | trans | -82 | 94.6 | 179.2 | -54.9 | 0 | 0 | 0 | 0 | 111.3 | C38 | C26-C38 PolarHBondContact SG-SG 2.93Š| ||
| 27 | N | 43.6 | Very low | 45.3 | Very low | 129 Ų | 129 | 87.1 Ų | 87.1 | 69% | 0.69 | 49% | 0.487 | S | S | * | . | trans | -84.3 | 107.8 | 163.5 | -88.7 | -28.7 | 0 | 0 | 0 | 109.4 | G25 G29 K36 | G25-N27 PolarHBondContact O-N 3.49Å; N27-G29 PolarHBondContact O-N 2.89Å; N27-K36 VanDerWaalsContact O-CD 3.31Å; N27-K36 WeakPolarHBondContact O-CD 3.17Å; N27-K36 PolarHBondContact O-NZ 3.25Å | ||
| 28 | M | 44.8 | Very low | 45.2 | Very low | 92 Ų | 92 | 82.3 Ų | 82.3 | 45% | 0.453 | 46% | 0.456 | S | S | . | . | trans | -58.9 | 132.4 | 167.7 | -89.4 | 171.6 | 140.7 | 0 | 0 | 109.9 | R7 D89 | R7-M28 PolarHBondContact NH1-SD 3.08Å; M28-D89 WeakPolarHBondContact CE-OD1 3.3Å; M28-D89 WeakPolarHBondContact CE-OD2 3.31Å | ||
| 29 | G | 42.7 | Very low | 45.1 | Very low | 29 Ų | 29 | 81.8 Ų | 81.8 | 30% | 0.299 | 45% | 0.454 | S | S | . | . | trans | -90.9 | 175.3 | 155.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | N27 S31 Y34 | N27-G29 PolarHBondContact O-N 2.89Å; G29-S31 VanDerWaalsContact C-N 3.31Å; G29-S31 PolarHBondContact O-N 2.92Å; G29-Y34 VanDerWaalsContact CA-CE2 3.4Å; G29-Y34 WeakPolarHBondContact CA-OH 3.38Å; G29-Y34 WeakPolarHBondContact O-CE2 3.35Å; G29-Y34 PolarHBondContact O-OH 2.84Å | ||
| 30 | K | 44.4 | Very low | 45 | Very low | 222 Ų | 222 | 81.4 Ų | 81.4 | 97% | 0.965 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -75.7 | -2.5 | -174.2 | -78.3 | -179.8 | 170.5 | -177.4 | 0 | 116.4 | Y34 | K30-Y34 PolarHBondContact N-OH 2.95Š|
| 31 | S | 39.5 | Very low | 44.7 | Very low | 80 Ų | 80 | 84.4 Ų | 84.4 | 56% | 0.559 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -126.7 | 56.8 | -161.6 | 70.3 | 0 | 0 | 0 | 0 | 112.9 | G29 F33 Y34 | G29-S31 VanDerWaalsContact C-N 3.31Å; G29-S31 PolarHBondContact O-N 2.92Å; S31-F33 PolarHBondContact O-N 3.36Å; S31-Y34 WeakPolarHBondContact CA-OH 3.14Å; S31-Y34 WeakPolarHBondContact CB-OH 3.14Å; S31-Y34 PolarHBondContact N-OH 3.5Å; S31-Y34 PolarHBondContact OG-OH 3.25Å |
| 32 | G | 39.1 | Very low | 44.6 | Very low | 38 Ų | 38 | 89.2 Ų | 89.2 | 39% | 0.392 | 48% | 0.478 | S | S | . | . | S | Bend | trans | 55.9 | -12.6 | 154.6 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||
| 33 | F | 34.9 | Very low | 44.5 | Very low | 155 Ų | 155 | 96.5 Ų | 96.5 | 68% | 0.68 | 50% | 0.499 | S | S | * | . | trans | -154.3 | 123 | -171.9 | -63.9 | -83.1 | 0 | 0 | 0 | 108.6 | S31 | S31-F33 PolarHBondContact O-N 3.36Š| ||
| 34 | Y | 43 | Very low | 44.2 | Very low | 66 Ų | 66 | 101.4 Ų | 101.4 | 26% | 0.259 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 123.6 | 170.5 | -62 | -74.5 | 0 | 0 | 0 | 111.8 | G29 K30 S31 K36 | G29-Y34 VanDerWaalsContact CA-CE2 3.4Å; G29-Y34 WeakPolarHBondContact CA-OH 3.38Å; G29-Y34 WeakPolarHBondContact O-CE2 3.35Å; G29-Y34 PolarHBondContact O-OH 2.84Å; K30-Y34 PolarHBondContact N-OH 2.95Å; S31-Y34 WeakPolarHBondContact CA-OH 3.14Å; S31-Y34 WeakPolarHBondContact CB-OH 3.14Å; S31-Y34 PolarHBondContact N-OH 3.5Å; S31-Y34 PolarHBondContact OG-OH 3.25Å; Y34-K36 HydrophobicContact CG-CD 4.34Å; Y34-K36 PolarHBondContact O-N 2.88Å |
| 35 | I | 38.3 | Very low | 43.8 | Very low | 130 Ų | 130 | 101.7 Ų | 101.7 | 67% | 0.667 | 53% | 0.531 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 95 | 152.6 | -57.8 | 163.7 | 0 | 0 | 0 | 105.2 | L84 | I35-L84 HydrophobicContact CB-CD1 4.46Å; I35-L84 HydrophobicContact CD1-CD1 3.94Å; I35-L84 HydrophobicContact CG1-CD1 3.97Å; I35-L84 HydrophobicContact CG1-CG 4.46Å; I35-L84 HydrophobicContact CG2-CD1 3.64Å |
| 36 | K | 46.6 | Very low | 43.4 | Very low | 85 Ų | 85 | 105.6 Ų | 105.6 | 37% | 0.37 | 53% | 0.534 | S | S | . | . | trans | -123.8 | 141.7 | 174.2 | -97.1 | 175.4 | 173.3 | 167.9 | 0 | 108.6 | N27 Y34 C38 | N27-K36 VanDerWaalsContact O-CD 3.31Å; N27-K36 WeakPolarHBondContact O-CD 3.17Å; N27-K36 PolarHBondContact O-NZ 3.25Å; Y34-K36 HydrophobicContact CG-CD 4.34Å; Y34-K36 PolarHBondContact O-N 2.88Å; K36-C38 PolarHBondContact O-N 3.21Å; K36-C38 PolarHBondContact O-SG 2.78Å | ||
| 37 | Q | 44.1 | Very low | 43 | Very low | 189 Ų | 189 | 112.2 Ų | 112.2 | 88% | 0.883 | 56% | 0.558 | S | S | * | * | trans | -58.9 | 85.4 | 171.9 | -72.6 | -174.8 | -15.3 | 0 | 0 | 109.5 | ||||
| 38 | C | 45.3 | Very low | 42.6 | Very low | 8 Ų | 8 | 113 Ų | 113 | 5% | 0.054 | 56% | 0.558 | C | S | . | * | trans | -91.6 | 123.3 | 176.1 | -63.3 | 0 | 0 | 0 | 0 | 107.2 | C26 K36 C40 I85 | C26-C38 PolarHBondContact SG-SG 2.93Å; K36-C38 PolarHBondContact O-N 3.21Å; K36-C38 PolarHBondContact O-SG 2.78Å; C38-C40 PolarHBondContact O-N 2.89Å; C38-I85 HydrophobicContact CB-CG2 4.27Å; C38-I85 WeakPolarHBondContact O-CD1 3.15Å | ||
| 39 | S | 49.3 | Very low | 42.3 | Very low | 61 Ų | 61 | 113.9 Ų | 113.9 | 43% | 0.427 | 57% | 0.57 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.2 | 95.2 | 170.1 | -69.5 | 0 | 0 | 0 | 0 | 108.1 | S24 R41 | S24-S39 PolarHBondContact N-O 3.34Å; S24-S39 PolarHBondContact O-N 2.04Å; S39-R41 PolarHBondContact O-N 3.08Å |
| 40 | C | 48.1 | Very low | 42.1 | Very low | 31 Ų | 31 | 118.8 Ų | 118.8 | 21% | 0.209 | 59% | 0.589 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -84.1 | 105.5 | 166.1 | -86.1 | 0 | 0 | 0 | 0 | 108.6 | C9 V11 C38 | C9-C40 WeakPolarHBondContact CB-SG 3.02Å; C9-C40 WeakPolarHBondContact SG-CB 3.4Å; C9-C40 CovalentContact SG-SG 2.04Å; C9-C40 PolarHBondContact SG-SG 3.11Å; V11-C40 HydrophobicContact CG2-CB 3.92Å; C38-C40 PolarHBondContact O-N 2.89Å |
| 41 | R | 47.1 | Very low | 41.9 | Very low | 199 Ų | 199 | 113 Ų | 113 | 75% | 0.751 | 58% | 0.577 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -87.2 | 119.7 | 171.9 | -163.6 | 173.4 | -178.3 | -174 | -0.3 | 107.8 | G21 V22 S39 R43 | G21-R41 CarbonylContact C-O 3.59Å; G21-R41 VanDerWaalsContact CA-O 3.3Å; G21-R41 WeakPolarHBondContact CA-O 3.03Å; V22-R41 PolarHBondContact N-O 3.37Å; V22-R41 PolarHBondContact O-N 2.97Å; S39-R41 PolarHBondContact O-N 3.08Å; R41-R43 PolarHBondContact O-N 3.47Å |
| 42 | R | 48.2 | Very low | 42.1 | Very low | 105 Ų | 105 | 114 Ų | 114 | 40% | 0.396 | 58% | 0.584 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -53.7 | 131.2 | 166.7 | -93.2 | -176.8 | 173.8 | 178.8 | -3.5 | 107.9 | T19 T44 | T19-R42 PolarHBondContact OG1-NE 3Å; T19-R42 PolarHBondContact OG1-NH2 3Å; T19-R42 VanDerWaalsContact OG1-NH2 3.08Å; R42-T44 PolarHBondContact O-N 3.25Å |
| 43 | R | 45.5 | Very low | 42.7 | Very low | 205 Ų | 205 | 116.6 Ų | 116.6 | 77% | 0.774 | 60% | 0.602 | S | S | * | * | trans | -74.5 | 91.4 | 168.2 | -155.8 | 177.7 | -173.9 | -169.6 | 1.6 | 105.4 | R41 S45 | R41-R43 PolarHBondContact O-N 3.47Å; R43-S45 VanDerWaalsContact C-N 3.29Å; R43-S45 PolarHBondContact O-N 2.75Å | ||
| 44 | T | 42.6 | Very low | 43.5 | Very low | 113 Ų | 113 | 118.3 Ų | 118.3 | 69% | 0.693 | 61% | 0.612 | S | S | * | * | trans | -62 | 100.9 | 163.1 | 44.4 | 0 | 0 | 0 | 0 | 105.2 | R42 L46 | R42-T44 PolarHBondContact O-N 3.25Å; T44-L46 PolarHBondContact O-N 3.18Å | ||
| 45 | S | 39.9 | Very low | 44 | Very low | 85 Ų | 85 | 122.7 Ų | 122.7 | 59% | 0.594 | 64% | 0.64 | S | S | * | * | trans | -56.4 | 129.3 | 163.7 | 58.5 | 0 | 0 | 0 | 0 | 105.5 | R43 F47 | R43-S45 VanDerWaalsContact C-N 3.29Å; R43-S45 PolarHBondContact O-N 2.75Å; S45-F47 PolarHBondContact O-N 2.7Å | ||
| 46 | L | 39 | Very low | 44.5 | Very low | 154 Ų | 154 | 121.5 Ų | 121.5 | 81% | 0.806 | 64% | 0.642 | S | S | * | * | trans | -62.1 | 77.9 | 165.2 | -75.2 | 92.8 | 0 | 0 | 0 | 107.5 | T44 | T44-L46 PolarHBondContact O-N 3.18Š| ||
| 47 | F | 37 | Very low | 45.1 | Very low | 181 Ų | 181 | 122.9 Ų | 122.9 | 79% | 0.794 | 66% | 0.663 | S | S | * | * | trans | -93.6 | 91.9 | 147.8 | -97.3 | -91.1 | 0 | 0 | 0 | 103.3 | S45 P49 | S45-F47 PolarHBondContact O-N 2.7Å; F47-P49 VanDerWaalsContact O-CD 3.31Å; F47-P49 WeakPolarHBondContact O-CD 3.38Å | ||
| 48 | Q | 34.6 | Very low | 45.7 | Very low | 146 Ų | 146 | 121 Ų | 121 | 68% | 0.682 | 66% | 0.664 | S | S | * | * | trans | -61.6 | 120.6 | 157.3 | -67 | -175.9 | 10.7 | 0 | 0 | 104.9 | D50 | Q48-D50 VanDerWaalsContact C-N 3.31Å; Q48-D50 PolarHBondContact O-N 2.75Å | ||
| 49 | P | 40.3 | Very low | 45.9 | Very low | 109 Ų | 109 | 124.1 Ų | 124.1 | 71% | 0.708 | 70% | 0.698 | S | S | * | * | trans | -63.4 | 108.3 | 156.1 | 26.9 | -27.2 | 0 | 0 | 0 | 104.9 | F47 S51 | F47-P49 VanDerWaalsContact O-CD 3.31Å; F47-P49 WeakPolarHBondContact O-CD 3.38Å; P49-S51 PolarHBondContact O-N 3.32Å | ||
| 50 | D | 38.2 | Very low | 45.8 | Very low | 133 Ų | 133 | 128.3 Ų | 128.3 | 71% | 0.711 | 72% | 0.716 | S | S | * | * | trans | -67.6 | 80.6 | 167.4 | -148.3 | -59.1 | 0 | 0 | 0 | 106.1 | Q48 S52 | Q48-D50 VanDerWaalsContact C-N 3.31Å; Q48-D50 PolarHBondContact O-N 2.75Å; D50-S52 PolarHBondContact O-N 3.23Å; D50-S52 PolarHBondContact OD1-OG 3.18Å | ||
| 51 | S | 39.5 | Very low | 45.7 | Very low | 101 Ų | 101 | 132.7 Ų | 132.7 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | trans | -79.9 | 75.4 | 174.5 | -74 | 0 | 0 | 0 | 0 | 107.8 | P49 A53 | P49-S51 PolarHBondContact O-N 3.32Å; S51-A53 PolarHBondContact O-N 3.3Å | ||
| 52 | S | 43.2 | Very low | 45.8 | Very low | 100 Ų | 100 | 130.1 Ų | 130.1 | 70% | 0.699 | 75% | 0.745 | S | S | * | * | trans | -63 | 85.7 | 155.9 | -69.2 | 0 | 0 | 0 | 0 | 107.8 | D50 | D50-S52 PolarHBondContact O-N 3.23Å; D50-S52 PolarHBondContact OD1-OG 3.18Å | ||
| 53 | A | 52.5 | Low | 45.8 | Very low | 93 Ų | 93 | 132.6 Ų | 132.6 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | trans | -98 | 89.2 | 167.4 | 0 | 0 | 0 | 0 | 0 | 107.3 | S51 D55 | S51-A53 PolarHBondContact O-N 3.3Å; A53-D55 PolarHBondContact O-N 2.87Å | ||
| 54 | E | 50.6 | Low | 45.7 | Very low | 191 Ų | 191 | 134.2 Ų | 134.2 | 89% | 0.893 | 77% | 0.772 | S | S | * | * | trans | -76.7 | 109.9 | 160.1 | -50 | -152 | 114 | 0 | 0 | 106.5 | ||||
| 55 | D | 54.5 | Low | 45.4 | Very low | 158 Ų | 158 | 133 Ų | 133 | 85% | 0.845 | 77% | 0.774 | S | S | * | * | trans | -156.3 | 129.3 | 148.3 | -159.3 | 49.2 | 0 | 0 | 0 | 110.7 | A53 | A53-D55 PolarHBondContact O-N 2.87Š| ||
| 56 | S | 49.3 | Very low | 45.6 | Very low | 104 Ų | 104 | 134.6 Ų | 134.6 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | -93.3 | 130.2 | -177.2 | -68.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 57 | S | 58.1 | Low | 45.6 | Very low | 114 Ų | 114 | 133.2 Ų | 133.2 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | trans | -171.6 | 109.3 | 142.7 | -92.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 58 | T | 57.4 | Low | 45.4 | Very low | 149 Ų | 149 | 128.6 Ų | 128.6 | 91% | 0.914 | 78% | 0.776 | S | S | * | * | 24.1 | 115.4 | 129.9 | -40.5 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 59 | G | 49.3 | Very low | 45.4 | Very low | 74 Ų | 74 | 132 Ų | 132 | 76% | 0.763 | 78% | 0.784 | S | S | * | * | trans | 169.2 | 96.4 | 161.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 60 | D | 47.7 | Very low | 44.9 | Very low | 150 Ų | 150 | 137.9 Ų | 137.9 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | trans | 77.8 | 118.4 | 146.7 | -139.8 | -110 | 0 | 0 | 0 | 120.8 | ||||
| 61 | P | 46.5 | Very low | 44.6 | Very low | 123 Ų | 123 | 136.7 Ų | 136.7 | 80% | 0.799 | 79% | 0.785 | S | S | * | * | trans | -101.4 | 99.3 | 170 | 35.5 | -22.4 | 0 | 0 | 0 | 110.5 | ||||
| 62 | D | 47.4 | Very low | 44.3 | Very low | 144 Ų | 144 | 138.1 Ų | 138.1 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | trans | -128.5 | 105.5 | 162.9 | -151.1 | -99.6 | 0 | 0 | 0 | 110.8 | R64 | D62-R64 PolarHBondContact O-N 2.93Š| ||
| 63 | D | 49.9 | Very low | 43.6 | Very low | 158 Ų | 158 | 141.1 Ų | 141.1 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | trans | -75.2 | 104.7 | 178.5 | -172.3 | -92.8 | 0 | 0 | 0 | 108.6 | ||||
| 64 | R | 41.5 | Very low | 42.7 | Very low | 238 Ų | 238 | 146.5 Ų | 146.5 | 90% | 0.898 | 78% | 0.782 | S | S | * | * | trans | 158.3 | 74.6 | 143.4 | -173.6 | 172 | -178.8 | 164.5 | 0 | 111.8 | D62 | D62-R64 PolarHBondContact O-N 2.93Š| ||
| 65 | A | 36.4 | Very low | 41.7 | Very low | 89 Ų | 89 | 143.4 Ų | 143.4 | 74% | 0.736 | 77% | 0.767 | S | S | * | * | trans | -132.1 | 110 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 66 | T | 44.2 | Very low | 40.5 | Very low | 118 Ų | 118 | 141 Ų | 141 | 72% | 0.724 | 76% | 0.762 | S | S | * | * | trans | 67.9 | 118.6 | 145.8 | -34.1 | 0 | 0 | 0 | 0 | 117.1 | A68 | T66-A68 PolarHBondContact O-N 3.06Š| ||
| 67 | P | 38.9 | Very low | 39.7 | Very low | 124 Ų | 124 | 144.4 Ų | 144.4 | 81% | 0.805 | 76% | 0.759 | S | S | * | * | trans | -65 | 94.7 | 158.2 | 28.7 | -29.2 | 0 | 0 | 0 | 106 | Y69 | P67-Y69 PolarHBondContact O-N 3.47Š| ||
| 68 | A | 33.7 | Very low | 38.5 | Very low | 84 Ų | 84 | 145.6 Ų | 145.6 | 69% | 0.694 | 76% | 0.756 | S | S | * | * | trans | -56.2 | 99.8 | 167.4 | 0 | 0 | 0 | 0 | 0 | 105.2 | T66 R70 | T66-A68 PolarHBondContact O-N 3.06Å; A68-R70 PolarHBondContact O-N 3.45Å | ||
| 69 | Y | 33.5 | Very low | 37.6 | Very low | 219 Ų | 219 | 143.3 Ų | 143.3 | 86% | 0.859 | 74% | 0.735 | S | S | * | * | trans | -32.8 | 110.4 | 171.2 | -151.6 | -97.5 | 0 | 0 | 0 | 105.7 | P67 N71 | P67-Y69 PolarHBondContact O-N 3.47Å; Y69-N71 PolarHBondContact O-N 3.28Å | ||
| 70 | R | 31.8 | Very low | 37 | Very low | 231 Ų | 231 | 145.2 Ų | 145.2 | 87% | 0.872 | 73% | 0.732 | S | S | * | * | trans | -60.8 | 86.2 | 179.9 | -86.3 | -174.7 | 175.6 | 176.3 | -0.5 | 106.2 | A68 N72 | A68-R70 PolarHBondContact O-N 3.45Å; R70-N72 PolarHBondContact O-N 2.79Å | ||
| 71 | N | 31.9 | Very low | 36.4 | Very low | 108 Ų | 108 | 149.1 Ų | 149.1 | 58% | 0.578 | 74% | 0.737 | S | S | * | * | trans | -75.2 | 65.9 | 163.7 | -159 | -9.1 | 0 | 0 | 0 | 104.6 | Y69 R73 | Y69-N71 PolarHBondContact O-N 3.28Å; N71-R73 PolarHBondContact O-N 3.24Å; N71-R73 WeakPolarHBondContact OD1-CB 3.3Å; N71-R73 WeakPolarHBondContact OD1-CG 3.46Å; N71-R73 PolarHBondContact OD1-N 2.71Å | ||
| 72 | N | 31.7 | Very low | 35.9 | Very low | 131 Ų | 131 | 146.2 Ų | 146.2 | 70% | 0.701 | 73% | 0.729 | S | S | * | * | trans | -63.4 | 70.8 | 149.5 | -107.8 | -13.5 | 0 | 0 | 0 | 104.8 | R70 R74 | R70-N72 PolarHBondContact O-N 2.79Å; N72-R74 PolarHBondContact O-N 2.96Å | ||
| 73 | R | 28.9 | Very low | 35.5 | Very low | 164 Ų | 164 | 147.2 Ų | 147.2 | 62% | 0.619 | 72% | 0.722 | S | S | * | * | trans | -66 | 81.2 | 169.2 | -133 | 171.9 | -174.9 | -169.9 | 0.8 | 103.3 | N71 H75 | N71-R73 PolarHBondContact O-N 3.24Å; N71-R73 WeakPolarHBondContact OD1-CB 3.3Å; N71-R73 WeakPolarHBondContact OD1-CG 3.46Å; N71-R73 PolarHBondContact OD1-N 2.71Å; R73-H75 WeakPolarHBondContact CD-CE1 3.38Å; R73-H75 WeakPolarHBondContact CD-NE2 3Å; R73-H75 WeakPolarHBondContact CG-NE2 3.07Å; R73-H75 PolarHBondContact NE-CE1 3.24Å; R73-H75 PolarHBondContact NE-NE2 2.96Å; R73-H75 PolarHBondContact O-N 2.74Å | ||
| 74 | R | 33.1 | Very low | 35.2 | Very low | 206 Ų | 206 | 143.4 Ų | 143.4 | 78% | 0.777 | 70% | 0.702 | S | S | * | * | trans | -66 | 65.4 | 159.5 | -74.8 | -172.2 | 174.2 | -173.5 | 0.3 | 106 | N72 S76 | N72-R74 PolarHBondContact O-N 2.96Å; R74-S76 PolarHBondContact O-N 2.98Å | ||
| 75 | H | 30.1 | Very low | 35.5 | Very low | 126 Ų | 126 | 133.4 Ų | 133.4 | 58% | 0.583 | 67% | 0.666 | S | S | * | * | trans | -71 | 68 | 165 | -83 | 173.7 | 0 | 0 | 0 | 107.7 | R73 | R73-H75 WeakPolarHBondContact CD-CE1 3.38Å; R73-H75 WeakPolarHBondContact CD-NE2 3Å; R73-H75 WeakPolarHBondContact CG-NE2 3.07Å; R73-H75 PolarHBondContact NE-CE1 3.24Å; R73-H75 PolarHBondContact NE-NE2 2.96Å; R73-H75 PolarHBondContact O-N 2.74Å | ||
| 76 | S | 30.4 | Very low | 36 | Very low | 107 Ų | 107 | 131.5 Ų | 131.5 | 75% | 0.748 | 65% | 0.645 | S | S | * | * | trans | -159.3 | 39 | 160 | 54.6 | 0 | 0 | 0 | 0 | 107.9 | R74 | R74-S76 PolarHBondContact O-N 2.98Š| ||
| 77 | R | 30.7 | Very low | 36.2 | Very low | 176 Ų | 176 | 127.1 Ų | 127.1 | 66% | 0.664 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -71.5 | 137.3 | 151.9 | -73.9 | 171.8 | 75 | 177.4 | 10.8 | 104.8 | E79 | R77-E79 HydrophobicContact CB-CB 3.88Å; R77-E79 HydrophobicContact CB-CG 3.5Å; R77-E79 VanDerWaalsContact CB-CG 3.5Å; R77-E79 VanDerWaalsContact CD-OE1 3.25Å; R77-E79 WeakPolarHBondContact CD-OE1 3.31Å; R77-E79 HydrophobicContact CG-CG 4.2Å; R77-E79 IonicContact CZ-OE1 3.09Å; R77-E79 IonicContact NE-OE1 3.25Å; R77-E79 PolarHBondContact NE-OE1 3.05Å; R77-E79 IonicContact NH1-OE1 2.66Å; R77-E79 PolarHBondContact NH1-OE1 2.73Å; R77-E79 PolarHBondContact O-N 2.82Å |
| 78 | L | 34.3 | Very low | 36.3 | Very low | 139 Ų | 139 | 126.5 Ų | 126.5 | 73% | 0.728 | 61% | 0.605 | S | S | * | * | trans | -62.1 | 50.7 | 147.6 | -80.7 | 85.8 | 0 | 0 | 0 | 109.1 | T80 | L78-T80 PolarHBondContact O-N 2.83Š| ||
| 79 | E | 36.8 | Very low | 36.6 | Very low | 101 Ų | 101 | 126.3 Ų | 126.3 | 47% | 0.472 | 59% | 0.592 | S | S | . | * | trans | -66.6 | 101.6 | 157.2 | -88.7 | 167.9 | 160.3 | 0 | 0 | 102.7 | R77 | R77-E79 HydrophobicContact CB-CB 3.88Å; R77-E79 HydrophobicContact CB-CG 3.5Å; R77-E79 VanDerWaalsContact CB-CG 3.5Å; R77-E79 VanDerWaalsContact CD-OE1 3.25Å; R77-E79 WeakPolarHBondContact CD-OE1 3.31Å; R77-E79 HydrophobicContact CG-CG 4.2Å; R77-E79 IonicContact CZ-OE1 3.09Å; R77-E79 IonicContact NE-OE1 3.25Å; R77-E79 PolarHBondContact NE-OE1 3.05Å; R77-E79 IonicContact NH1-OE1 2.66Å; R77-E79 PolarHBondContact NH1-OE1 2.73Å; R77-E79 PolarHBondContact O-N 2.82Å | ||
| 80 | T | 37.2 | Very low | 36.9 | Very low | 114 Ų | 114 | 117.5 Ų | 117.5 | 70% | 0.699 | 57% | 0.569 | S | S | * | * | cis | -160.3 | 146.4 | 46.4 | -61.5 | 0 | 0 | 0 | 0 | 106.3 | L78 G82 | L78-T80 PolarHBondContact O-N 2.83Å; T80-G82 PolarHBondContact O-N 3.09Å | ||
| 81 | Y | 35.4 | Very low | 37.1 | Very low | 231 Ų | 231 | 111.6 Ų | 111.6 | 91% | 0.906 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -38.7 | 91.7 | 165.6 | -75.5 | -105.6 | 0 | 0 | 0 | 112.7 | ||
| 82 | G | 35.5 | Very low | 37.3 | Very low | 62 Ų | 62 | 109.3 Ų | 109.3 | 64% | 0.639 | 56% | 0.562 | S | S | * | * | trans | 176.4 | 6.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | T80 | T80-G82 PolarHBondContact O-N 3.09Š| ||
| 83 | R | 40.7 | Very low | 37.3 | Very low | 165 Ų | 165 | 108.3 Ų | 108.3 | 62% | 0.623 | 56% | 0.561 | S | S | * | * | trans | -124.3 | 116.8 | 177.9 | -65.6 | -172.5 | 173.9 | 169 | -3.1 | 111.3 | I85 V107 W108 | R83-I85 PolarHBondContact O-N 3Å; R83-V107 HydrophobicContact CB-CG1 4.15Å; R83-W108 VanDerWaalsContact CA-O 3.3Å; R83-W108 WeakPolarHBondContact CA-O 3.11Å; R83-W108 WeakPolarHBondContact CB-O 3.2Å | ||
| 84 | L | 42 | Very low | 37.5 | Very low | 79 Ų | 79 | 104.9 Ų | 104.9 | 41% | 0.414 | 56% | 0.562 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -79.2 | 118.9 | 176.4 | -160.9 | 83.4 | 0 | 0 | 0 | 108.3 | I35 V86 W108 | I35-L84 HydrophobicContact CB-CD1 4.46Å; I35-L84 HydrophobicContact CD1-CD1 3.94Å; I35-L84 HydrophobicContact CG1-CD1 3.97Å; I35-L84 HydrophobicContact CG1-CG 4.46Å; I35-L84 HydrophobicContact CG2-CD1 3.64Å; L84-V86 HydrophobicContact CD2-CG2 3.47Å; L84-V86 VanDerWaalsContact CD2-CG2 3.47Å; L84-V86 HydrophobicContact CG-CG2 3.98Å; L84-W108 HydrophobicContact CB-CB 4.3Å; L84-W108 PolarHBondContact N-O 3.41Å; L84-W108 PolarHBondContact O-N 2.74Å |
| 85 | I | 48.5 | Very low | 37.5 | Very low | 27 Ų | 27 | 100.2 Ų | 100.2 | 14% | 0.138 | 57% | 0.567 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.3 | 104.5 | 172 | -54.8 | 176.5 | 0 | 0 | 0 | 106.9 | C38 R83 C105 V107 | C38-I85 HydrophobicContact CB-CG2 4.27Å; C38-I85 WeakPolarHBondContact O-CD1 3.15Å; R83-I85 PolarHBondContact O-N 3Å; I85-C105 HydrophobicContact CG2-CB 4Å; I85-V107 HydrophobicContact CG1-CG2 4.26Å |
| 86 | V | 47.1 | Very low | 37.8 | Very low | 50 Ų | 50 | 100.2 Ų | 100.2 | 30% | 0.303 | 58% | 0.577 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.8 | 110.1 | 176.1 | -176.5 | 0 | 0 | 0 | 0 | 107.8 | L84 C105 I106 | L84-V86 HydrophobicContact CD2-CG2 3.47Å; L84-V86 VanDerWaalsContact CD2-CG2 3.47Å; L84-V86 HydrophobicContact CG-CG2 3.98Å; V86-C105 CarbonylContact O-C 3.57Å; V86-C105 WeakPolarHBondContact O-CA 3.41Å; V86-I106 PolarHBondContact N-O 2.75Å; V86-I106 PolarHBondContact O-N 2.9Å |
| 87 | C | 47.8 | Very low | 38.1 | Very low | 26 Ų | 26 | 98.6 Ų | 98.6 | 18% | 0.176 | 57% | 0.565 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -95 | 119.3 | 171.3 | -60.2 | 0 | 0 | 0 | 0 | 109.1 | K104 C105 | C87-K104 CarbonylContact C-O 3.54Å; C87-K104 WeakPolarHBondContact CA-O 3.46Å; C87-C105 HydrophobicContact CB-CB 4.17Å; C87-C105 WeakPolarHBondContact CB-SG 3.25Å; C87-C105 WeakPolarHBondContact SG-CB 3.17Å; C87-C105 CovalentContact SG-SG 2.06Å; C87-C105 PolarHBondContact SG-SG 2.8Å |
| 88 | Q | 40.8 | Very low | 38.4 | Very low | 110 Ų | 110 | 96.5 Ų | 96.5 | 51% | 0.514 | 58% | 0.575 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.2 | 127.6 | 172.2 | -164 | 174.9 | 24.1 | 0 | 0 | 108.8 | G90 K104 | Q88-G90 PolarHBondContact O-N 3.38Å; Q88-K104 PolarHBondContact N-O 3.25Å; Q88-K104 PolarHBondContact O-N 2.66Å; Q88-K104 VanDerWaalsContact O-N 3.11Å |
| 89 | D | 41.3 | Very low | 38.6 | Very low | 80 Ų | 80 | 94 Ų | 94 | 43% | 0.428 | 57% | 0.569 | S | S | . | * | trans | -69.3 | 88.6 | 162.4 | -81.5 | -60.8 | 0 | 0 | 0 | 107.7 | M28 | M28-D89 WeakPolarHBondContact CE-OD1 3.3Å; M28-D89 WeakPolarHBondContact CE-OD2 3.31Å | ||
| 90 | G | 39.5 | Very low | 38.5 | Very low | 35 Ų | 35 | 92 Ų | 92 | 36% | 0.361 | 56% | 0.561 | S | S | . | * | trans | -69.7 | 136.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109 | Q88 G92 | Q88-G90 PolarHBondContact O-N 3.38Å; G90-G92 PolarHBondContact O-N 2.95Å | ||
| 91 | P | 35.5 | Very low | 38.6 | Very low | 106 Ų | 106 | 94.1 Ų | 94.1 | 69% | 0.688 | 57% | 0.566 | S | S | * | * | trans | -54.5 | 137.3 | 152.9 | 28 | -32.2 | 0 | 0 | 0 | 106.2 | T93 | P91-T93 PolarHBondContact O-N 2.72Š| ||
| 92 | G | 36.8 | Very low | 38.7 | Very low | 61 Ų | 61 | 84.9 Ų | 84.9 | 63% | 0.629 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -67 | 52.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | G90 | G90-G92 PolarHBondContact O-N 2.95Š|
| 93 | T | 30.7 | Very low | 39.1 | Very low | 110 Ų | 110 | 83.4 Ų | 83.4 | 68% | 0.675 | 52% | 0.52 | S | S | * | . | trans | -148.6 | 78.1 | -165.3 | 56.4 | 0 | 0 | 0 | 0 | 109.6 | P91 | P91-T93 PolarHBondContact O-N 2.72Š| ||
| 94 | S | 32.9 | Very low | 39.4 | Very low | 91 Ų | 91 | 80 Ų | 80 | 64% | 0.636 | 51% | 0.51 | S | S | * | . | trans | -144 | 116.3 | 147.1 | -165 | 0 | 0 | 0 | 0 | 107.9 | T96 | S94-T96 VanDerWaalsContact C-N 3.28Å; S94-T96 PolarHBondContact O-N 3.44Å | ||
| 95 | A | 33.2 | Very low | 39.6 | Very low | 108 Ų | 108 | 76.4 Ų | 76.4 | 89% | 0.893 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | 49.6 | -151.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 96 | T | 37.6 | Very low | 39.6 | Very low | 127 Ų | 127 | 78.3 Ų | 78.3 | 78% | 0.779 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.1 | 3.8 | -179.3 | -26.7 | 0 | 0 | 0 | 0 | 114.2 | S94 | S94-T96 VanDerWaalsContact C-N 3.28Å; S94-T96 PolarHBondContact O-N 3.44Å |
| 97 | S | 36.6 | Very low | 39.5 | Very low | 73 Ų | 73 | 77 Ų | 77 | 51% | 0.51 | 49% | 0.494 | S | S | . | . | trans | -158.4 | 107.1 | 167.4 | -90.4 | 0 | 0 | 0 | 0 | 111.1 | S99 | S97-S99 PolarHBondContact O-N 2.75Š| ||
| 98 | P | 36.5 | Very low | 39.1 | Very low | 132 Ų | 132 | 84 Ų | 84 | 86% | 0.857 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -0.7 | -178 | 25.4 | -32.7 | 0 | 0 | 0 | 114.3 | ||
| 99 | S | 37.7 | Very low | 39.1 | Very low | 86 Ų | 86 | 83.2 Ų | 83.2 | 60% | 0.601 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.2 | 8.7 | -172.6 | -49 | 0 | 0 | 0 | 0 | 115.4 | S97 | S97-S99 PolarHBondContact O-N 2.75Š|
| 100 | L | 36.4 | Very low | 39 | Very low | 59 Ų | 59 | 83.4 Ų | 83.4 | 31% | 0.309 | 52% | 0.524 | S | S | . | . | trans | -131.8 | 67.3 | -170.3 | -75.7 | 156.4 | 0 | 0 | 0 | 112.2 | L10 G102 | L10-L100 HydrophobicContact CD1-CD1 3.96Å; L10-L100 HydrophobicContact CD1-CD2 3.74Å; L10-L100 HydrophobicContact CD1-CG 4.34Å; L10-L100 HydrophobicContact CD2-CD1 4.38Å; L10-L100 HydrophobicContact CG-CD2 4.12Å; L100-G102 PolarHBondContact O-N 3.47Å | ||
| 101 | I | 37.4 | Very low | 39 | Very low | 158 Ų | 158 | 85.9 Ų | 85.9 | 81% | 0.81 | 53% | 0.532 | S | S | * | . | trans | -87.1 | 98.5 | 164.5 | -56.4 | 170.8 | 0 | 0 | 0 | 106.8 | ||||
| 102 | G | 39.4 | Very low | 39.2 | Very low | 37 Ų | 37 | 84.8 Ų | 84.8 | 38% | 0.381 | 52% | 0.523 | S | S | . | . | S | Bend | trans | 168.2 | 164.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114 | L100 K104 | L100-G102 PolarHBondContact O-N 3.47Å; G102-K104 PolarHBondContact O-N 2.59Å |
| 103 | P | 43.5 | Very low | 39.3 | Very low | 31 Ų | 31 | 86.2 Ų | 86.2 | 20% | 0.201 | 52% | 0.517 | C | S | . | . | P | Polyproline II helix | trans | -57.4 | 132.6 | -178.4 | 23.8 | -33.7 | 0 | 0 | 0 | 111.2 | ||
| 104 | K | 46.9 | Very low | 39.8 | Very low | 95 Ų | 95 | 84.7 Ų | 84.7 | 41% | 0.413 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 118.7 | 175.1 | -70.4 | -176.8 | 178.6 | 176.3 | 0 | 107.9 | L10 C87 Q88 G102 | L10-K104 HydrophobicContact CD1-CG 4.23Å; C87-K104 CarbonylContact C-O 3.54Å; C87-K104 WeakPolarHBondContact CA-O 3.46Å; Q88-K104 PolarHBondContact N-O 3.25Å; Q88-K104 PolarHBondContact O-N 2.66Å; Q88-K104 VanDerWaalsContact O-N 3.11Å; G102-K104 PolarHBondContact O-N 2.59Å |
| 105 | C | 46.7 | Very low | 40.3 | Very low | 2 Ų | 2 | 84.3 Ų | 84.3 | 1% | 0.014 | 50% | 0.499 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 128 | 170.7 | -57.9 | 0 | 0 | 0 | 0 | 109 | C9 I85 V86 C87 | C9-C105 HydrophobicContact CB-CB 4.22Å; I85-C105 HydrophobicContact CG2-CB 4Å; V86-C105 CarbonylContact O-C 3.57Å; V86-C105 WeakPolarHBondContact O-CA 3.41Å; C87-C105 HydrophobicContact CB-CB 4.17Å; C87-C105 WeakPolarHBondContact CB-SG 3.25Å; C87-C105 WeakPolarHBondContact SG-CB 3.17Å; C87-C105 CovalentContact SG-SG 2.06Å; C87-C105 PolarHBondContact SG-SG 2.8Å |
| 106 | I | 47.8 | Very low | 40.8 | Very low | 68 Ų | 68 | 82.6 Ų | 82.6 | 35% | 0.349 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 123.7 | 172.9 | -55.6 | 175.6 | 0 | 0 | 0 | 106.1 | H12 V86 | H12-I106 HydrophobicContact CB-CG2 4.39Å; V86-I106 PolarHBondContact N-O 2.75Å; V86-I106 PolarHBondContact O-N 2.9Å |
| 107 | V | 44.8 | Very low | 41.1 | Very low | 23 Ų | 23 | 79.2 Ų | 79.2 | 14% | 0.139 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 113.1 | 172.2 | -176.4 | 0 | 0 | 0 | 0 | 106.7 | V11 R83 I85 | V11-V107 HydrophobicContact CG1-CG2 3.99Å; R83-V107 HydrophobicContact CB-CG1 4.15Å; I85-V107 HydrophobicContact CG1-CG2 4.26Å |
| 108 | W | 38.6 | Very low | 41.4 | Very low | 171 Ų | 171 | 79.7 Ų | 79.7 | 65% | 0.648 | 44% | 0.442 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85 | 121.2 | 169.9 | -74.4 | 56.7 | 0 | 0 | 0 | 107.8 | R83 L84 | R83-W108 VanDerWaalsContact CA-O 3.3Å; R83-W108 WeakPolarHBondContact CA-O 3.11Å; R83-W108 WeakPolarHBondContact CB-O 3.2Å; L84-W108 HydrophobicContact CB-CB 4.3Å; L84-W108 PolarHBondContact N-O 3.41Å; L84-W108 PolarHBondContact O-N 2.74Å |
| 109 | T | 41.6 | Very low | 41.9 | Very low | 94 Ų | 94 | 74.9 Ų | 74.9 | 58% | 0.577 | 40% | 0.404 | S | S | * | . | trans | -97.2 | 0 | 170.9 | 60.8 | 0 | 0 | 0 | 0 | 110.5 |
Retrieved 109 of 109 residues in 20.6 ms
(Link to these results)