| 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 | 49 | Very low | 54.8 | Low | 244 Ų | 244 | 156.9 Ų | 156.9 | 100% | 1.202 | 82% | 0.824 | S | S | * | * | 0 | 123.1 | 0 | -48.2 | -168.9 | -165.8 | 0 | 0 | 106 | |||||
| 2 | A | 54.8 | Low | 54.7 | Low | 97 Ų | 97 | 150.5 Ų | 150.5 | 80% | 0.802 | 81% | 0.81 | S | S | * | * | trans | -76.3 | 124.7 | -166.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 3 | S | 51.9 | Low | 54.9 | Low | 122 Ų | 122 | 145.5 Ų | 145.5 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | trans | -106 | 83.4 | 163.6 | -50.9 | 0 | 0 | 0 | 0 | 107.7 | D5 | S3-D5 PolarHBondContact O-N 3.15Š| ||
| 4 | R | 56.5 | Low | 56 | Low | 228 Ų | 228 | 143.8 Ų | 143.8 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | trans | -71.6 | 84.5 | 160.9 | -78.4 | 165 | 150.3 | 171.4 | -8.7 | 106.4 | Q6 | R4-Q6 VanDerWaalsContact C-N 3.34Å; R4-Q6 PolarHBondContact O-N 3.42Å | ||
| 5 | D | 56.3 | Low | 57.7 | Low | 151 Ų | 151 | 139.8 Ų | 139.8 | 81% | 0.807 | 76% | 0.755 | S | S | * | * | trans | -69.4 | 99.9 | 166.9 | -160.3 | -111 | 0 | 0 | 0 | 106.5 | S3 | S3-D5 PolarHBondContact O-N 3.15Š| ||
| 6 | Q | 50.6 | Low | 59.7 | Low | 158 Ų | 158 | 132.8 Ų | 132.8 | 74% | 0.738 | 72% | 0.715 | S | S | * | * | trans | -66.1 | 129.3 | 179 | -64.5 | -167.6 | 1.9 | 0 | 0 | 107.8 | R4 E8 | R4-Q6 VanDerWaalsContact C-N 3.34Å; R4-Q6 PolarHBondContact O-N 3.42Å; Q6-E8 PolarHBondContact O-N 2.79Å | ||
| 7 | P | 61.2 | Low | 61.5 | Low | 120 Ų | 120 | 131.1 Ų | 131.1 | 78% | 0.779 | 70% | 0.702 | S | S | * | * | trans | -62.6 | 125.7 | 169.3 | 27.5 | -31.7 | 0 | 0 | 0 | 107.5 | D9 | P7-D9 PolarHBondContact O-N 2.85Š| ||
| 8 | E | 53.5 | Low | 63.3 | Low | 170 Ų | 170 | 126.2 Ų | 126.2 | 79% | 0.794 | 67% | 0.673 | S | S | * | * | trans | -55 | 98.4 | -178.6 | -61.4 | 170.3 | 101.1 | 0 | 0 | 110.2 | Q6 L10 | Q6-E8 PolarHBondContact O-N 2.79Å; E8-L10 HydrophobicContact CB-CD1 4.21Å; E8-L10 PolarHBondContact O-N 3.07Å | ||
| 9 | D | 54.9 | Low | 64.9 | Low | 156 Ų | 156 | 125.5 Ų | 125.5 | 83% | 0.834 | 66% | 0.664 | S | S | * | * | trans | -70.6 | 62.6 | 166.4 | -173.3 | -114.6 | 0 | 0 | 0 | 109.1 | P7 | P7-D9 PolarHBondContact O-N 2.85Š| ||
| 10 | L | 57.4 | Low | 66.4 | Low | 142 Ų | 142 | 121.9 Ų | 121.9 | 74% | 0.743 | 65% | 0.647 | S | S | * | * | trans | -101.8 | 9.3 | 179 | -104.1 | 138.7 | 0 | 0 | 0 | 113.1 | E8 | E8-L10 HydrophobicContact CB-CD1 4.21Å; E8-L10 PolarHBondContact O-N 3.07Å | ||
| 11 | E | 56.3 | Low | 67.6 | Low | 138 Ų | 138 | 121.4 Ų | 121.4 | 65% | 0.645 | 64% | 0.639 | S | S | * | * | trans | -105.2 | 74.1 | 172.7 | -64.3 | -160.2 | 87.5 | 0 | 0 | 110.9 | K14 | E11-K14 IonicContact OE1-NZ 2.85Å; E11-K14 PolarHBondContact OE1-NZ 3.24Å | ||
| 12 | A | 54.6 | Low | 69.6 | Low | 80 Ų | 80 | 113.5 Ų | 113.5 | 66% | 0.661 | 61% | 0.612 | S | S | * | * | trans | -42.9 | 131.4 | 159.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | K14 | A12-K14 PolarHBondContact O-N 3.03Š| ||
| 13 | P | 57 | Low | 71.1 | Confident | 86 Ų | 86 | 110.5 Ų | 110.5 | 56% | 0.558 | 58% | 0.581 | S | S | * | * | trans | -62.8 | 105.6 | -150.9 | 17.1 | -30 | 0 | 0 | 0 | 112.4 | T15 | P13-T15 HydrophobicContact CB-CG2 3.81Å; P13-T15 WeakPolarHBondContact CB-OG1 3.34Å; P13-T15 PolarHBondContact O-N 2.77Å | ||
| 14 | K | 69.4 | Low | 72.7 | Confident | 121 Ų | 121 | 115.3 Ų | 115.3 | 53% | 0.526 | 59% | 0.587 | S | S | . | * | trans | -69.4 | 23.8 | 154.6 | -61.5 | 169.4 | -164.4 | 146.4 | 0 | 110.8 | E11 A12 P61 C62 | E11-K14 IonicContact OE1-NZ 2.85Å; E11-K14 PolarHBondContact OE1-NZ 3.24Å; A12-K14 PolarHBondContact O-N 3.03Å; K14-P61 HydrophobicContact CB-CB 4.1Å; K14-P61 HydrophobicContact CD-CB 4.33Å; K14-C62 WeakPolarHBondContact O-CB 3.3Å; K14-C62 PolarHBondContact O-N 2.93Å | ||
| 15 | T | 82.1 | Confident | 74.1 | Confident | 84 Ų | 84 | 108.6 Ų | 108.6 | 52% | 0.515 | 56% | 0.564 | S | S | . | * | trans | -90.6 | 143 | -173.3 | 71.6 | 0 | 0 | 0 | 0 | 109.2 | P13 | P13-T15 HydrophobicContact CB-CG2 3.81Å; P13-T15 WeakPolarHBondContact CB-OG1 3.34Å; P13-T15 PolarHBondContact O-N 2.77Å | ||
| 16 | H | 89.1 | Confident | 75.6 | Confident | 27 Ų | 27 | 105.8 Ų | 105.8 | 13% | 0.125 | 55% | 0.552 | C | S | . | * | trans | -77.4 | 129.3 | -178.8 | -68.5 | -97.8 | 0 | 0 | 0 | 110.5 | F18 C43 C46 A60 P61 C62 | H16-F18 HydrophobicContact CB-CD2 3.82Å; H16-F18 HydrophobicContact CB-CE1 4.06Å; H16-F18 HydrophobicContact CB-CE2 3.29Å; H16-F18 HydrophobicContact CB-CG 4.44Å; H16-F18 HydrophobicContact CB-CZ 3.4Å; H16-F18 AromaticContact CG-CZ 3.8Å; H16-F18 PolarHBondContact O-N 3.4Å; H16-C43 HydrophobicContact CB-CB 4.2Å; H16-C43 PolarHBondContact ND1-SG 2.94Å; H16-C46 PolarHBondContact CE1-SG 3.48Å; H16-C46 PolarHBondContact ND1-SG 3.22Å; H16-A60 PolarHBondContact CD2-O 3.24Å; H16-A60 PolarHBondContact NE2-O 2.73Å; H16-P61 PolarHBondContact NE2-O 2.94Å; H16-C62 PolarHBondContact ND1-SG 2.9Å; H16-C62 PolarHBondContact NE2-N 3.47Å | ||
| 17 | H | 91.2 | Very high | 77.6 | Confident | 105 Ų | 105 | 103 Ų | 103 | 49% | 0.486 | 54% | 0.537 | S | S | . | . | trans | -86.5 | 88.3 | 170.9 | -65.6 | -81 | 0 | 0 | 0 | 110.7 | C43 K44 | H17-C43 WeakPolarHBondContact O-CA 3.47Å; H17-K44 PolarHBondContact O-N 3.14Å | ||
| 18 | F | 93.1 | Very high | 79.2 | Confident | 42 Ų | 42 | 101.5 Ų | 101.5 | 18% | 0.184 | 53% | 0.528 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 134.4 | -179 | -71.9 | -65.2 | 0 | 0 | 0 | 113.4 | H16 C41 C43 F48 Q55 V58 | H16-F18 HydrophobicContact CB-CD2 3.82Å; H16-F18 HydrophobicContact CB-CE1 4.06Å; H16-F18 HydrophobicContact CB-CE2 3.29Å; H16-F18 HydrophobicContact CB-CG 4.44Å; H16-F18 HydrophobicContact CB-CZ 3.4Å; H16-F18 AromaticContact CG-CZ 3.8Å; H16-F18 PolarHBondContact O-N 3.4Å; F18-C41 HydrophobicContact CB-CB 4Å; F18-C41 HydrophobicContact CD1-CB 3.76Å; F18-C41 HydrophobicContact CG-CB 4.07Å; F18-C43 HydrophobicContact CD1-CB 4.14Å; F18-C43 HydrophobicContact CE1-CB 3.95Å; F18-F48 AromaticContact CE1-CD1 3.95Å; F18-F48 HydrophobicContact CE1-CD1 3.95Å; F18-F48 HydrophobicContact CZ-CD1 4.04Å; F18-Q55 HydrophobicContact CD2-CG 3.55Å; F18-Q55 HydrophobicContact CE2-CG 3.86Å; F18-Q55 HydrophobicContact CG-CG 4.23Å; F18-V58 HydrophobicContact CE2-CG2 4.14Å; F18-V58 HydrophobicContact CZ-CB 4.47Å; F18-V58 HydrophobicContact CZ-CG1 4.32Å; F18-V58 HydrophobicContact CZ-CG2 3.87Å |
| 19 | K | 94.3 | Very high | 81.1 | Confident | 114 Ų | 114 | 93.5 Ų | 93.5 | 50% | 0.496 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 130.5 | 165.9 | -177.4 | 168.3 | -179.3 | 174.2 | 0 | 109.7 | K21 C41 V42 K44 | K19-K21 PolarHBondContact O-N 3.32Å; K19-C41 WeakPolarHBondContact O-CA 3.46Å; K19-V42 PolarHBondContact N-O 2.89Å; K19-V42 PolarHBondContact O-N 3.48Å; K19-K44 HydrophobicContact CB-CG 4.32Å |
| 20 | V | 94.3 | Very high | 82.9 | Confident | 53 Ų | 53 | 88.1 Ų | 88.1 | 32% | 0.321 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 130.6 | 173.3 | -177.7 | 0 | 0 | 0 | 0 | 109.1 | G40 R52 | V20-G40 CarbonylContact C-O 3.55Å; V20-G40 VanDerWaalsContact CA-O 3.29Å; V20-G40 WeakPolarHBondContact CA-O 3.23Å; V20-R52 HydrophobicContact CG2-CG 4.43Å |
| 21 | K | 91.5 | Very high | 84.7 | Confident | 112 Ų | 112 | 83.6 Ų | 83.6 | 49% | 0.487 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 144.9 | 174.8 | -72.7 | -174.3 | 176 | 178.4 | 0 | 109.7 | K19 F23 G40 | K19-K21 PolarHBondContact O-N 3.32Å; K21-F23 WeakPolarHBondContact O-CD2 3.41Å; K21-F23 WeakPolarHBondContact O-CE2 3.43Å; K21-G40 PolarHBondContact N-O 2.87Å; K21-G40 PolarHBondContact O-N 2.84Å; K21-G40 VanDerWaalsContact O-N 3.14Å |
| 22 | A | 91.9 | Very high | 86.5 | Confident | 77 Ų | 77 | 79.3 Ų | 79.3 | 64% | 0.636 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 130.4 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | R38 E39 | A22-R38 WeakPolarHBondContact CA-O 3.35Å; A22-E39 HydrophobicContact CB-CG 4.28Å |
| 23 | F | 86.4 | Confident | 88.3 | Confident | 35 Ų | 35 | 85.6 Ų | 85.6 | 15% | 0.154 | 44% | 0.439 | C | S | . | . | trans | -95.1 | 110.6 | -176.7 | -72.4 | -97.7 | 0 | 0 | 0 | 109.5 | K21 K25 K27 I36 R38 V42 | K21-F23 WeakPolarHBondContact O-CD2 3.41Å; K21-F23 WeakPolarHBondContact O-CE2 3.43Å; F23-K25 VanDerWaalsContact C-N 3.28Å; F23-K27 HydrophobicContact CD1-CB 4.07Å; F23-K27 HydrophobicContact CD1-CG 3.8Å; F23-K27 HydrophobicContact CE1-CB 4.14Å; F23-K27 HydrophobicContact CE1-CG 4.01Å; F23-I36 HydrophobicContact CD2-CB 4.42Å; F23-I36 HydrophobicContact CD2-CG2 3.52Å; F23-I36 HydrophobicContact CE2-CD1 4.34Å; F23-I36 HydrophobicContact CE2-CG2 3.72Å; F23-I36 HydrophobicContact CG-CG2 4.17Å; F23-I36 HydrophobicContact CZ-CD1 4.12Å; F23-I36 HydrophobicContact CZ-CG2 4.48Å; F23-R38 PolarHBondContact N-O 3.24Å; F23-V42 HydrophobicContact CE1-CG2 3.69Å; F23-V42 HydrophobicContact CE2-CG2 4.24Å; F23-V42 HydrophobicContact CZ-CG2 3.28Å | ||
| 24 | K | 85.6 | Confident | 90.1 | Very high | 223 Ų | 223 | 87.8 Ų | 87.8 | 97% | 0.97 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -65.9 | -34.8 | 171.9 | -66.6 | -176.5 | 178.8 | -176.7 | 0 | 111.8 | ||
| 25 | K | 85.6 | Confident | 91.3 | Very high | 86 Ų | 86 | 84.2 Ų | 84.2 | 37% | 0.374 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -110 | 130.4 | 176.6 | -172.9 | 166.1 | -173 | 164.6 | 0 | 109.1 | F23 K27 T75 E76 | F23-K25 VanDerWaalsContact C-N 3.28Å; K25-K27 PolarHBondContact O-N 3.17Å; K25-T75 PolarHBondContact NZ-O 3.32Å; K25-E76 VanDerWaalsContact NZ-CD 3.34Å; K25-E76 IonicContact NZ-OE1 2.88Å; K25-E76 PolarHBondContact NZ-OE1 2.85Å |
| 26 | V | 88.8 | Confident | 91.8 | Very high | 92 Ų | 92 | 80.2 Ų | 80.2 | 56% | 0.558 | 41% | 0.411 | S | S | * | . | trans | -59.2 | 123.9 | 177.6 | 179.7 | 0 | 0 | 0 | 0 | 109.3 | A35 | V26-A35 HydrophobicContact CG1-CB 3.5Å; V26-A35 VanDerWaalsContact CG1-CB 3.5Å | ||
| 27 | K | 91.8 | Very high | 91.8 | Very high | 99 Ų | 99 | 83.7 Ų | 83.7 | 43% | 0.43 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 143.8 | 175.2 | -70.8 | -62.3 | -171.1 | 108.3 | 0 | 110.1 | F23 K25 I36 | F23-K27 HydrophobicContact CD1-CB 4.07Å; F23-K27 HydrophobicContact CD1-CG 3.8Å; F23-K27 HydrophobicContact CE1-CB 4.14Å; F23-K27 HydrophobicContact CE1-CG 4.01Å; K25-K27 PolarHBondContact O-N 3.17Å; K27-I36 WeakPolarHBondContact O-CB 3.33Å; K27-I36 WeakPolarHBondContact O-CG1 3.44Å; K27-I36 PolarHBondContact O-N 3.23Å |
| 28 | P | 94.1 | Very high | 91.5 | Very high | 90 Ų | 90 | 87.4 Ų | 87.4 | 58% | 0.584 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 143.9 | 172.9 | 30.4 | -33.8 | 0 | 0 | 0 | 110.5 | ||
| 29 | C | 95.1 | Very high | 91.5 | Very high | 2 Ų | 2 | 89.8 Ų | 89.8 | 1% | 0.014 | 46% | 0.455 | C | S | . | . | trans | -78.2 | 126.3 | 173.8 | 177.1 | 0 | 0 | 0 | 0 | 110.4 | I31 R33 Q34 I36 H51 C54 | C29-I31 PolarHBondContact O-N 3.37Å; C29-R33 WeakPolarHBondContact O-CA 3.46Å; C29-R33 PolarHBondContact O-N 3.31Å; C29-Q34 WeakPolarHBondContact CB-O 2.99Å; C29-Q34 PolarHBondContact N-O 3.49Å; C29-I36 HydrophobicContact CB-CD1 4.39Å; C29-I36 HydrophobicContact CB-CG1 4.11Å; C29-H51 VanDerWaalsContact CB-CE1 3.42Å; C29-H51 WeakPolarHBondContact CB-CE1 3.29Å; C29-H51 WeakPolarHBondContact CB-ND1 3.32Å; C29-H51 PolarHBondContact SG-N 3.12Å; C29-H51 PolarHBondContact SG-ND1 3.07Å; C29-H51 VanDerWaalsContact SG-ND1 3.38Å; C29-C54 VanDerWaalsContact SG-SG 3.65Å | ||
| 30 | G | 92.1 | Very high | 91.5 | Very high | 43 Ų | 43 | 84.3 Ų | 84.3 | 44% | 0.443 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -4.5 | -180 | 0 | 0 | 0 | 0 | 0 | 115.6 | F48 S49 | G30-F48 VanDerWaalsContact CA-CZ 3.48Å; G30-S49 PolarHBondContact N-O 3.47Å |
| 31 | I | 94.3 | Very high | 91.6 | Very high | 47 Ų | 47 | 81.8 Ų | 81.8 | 24% | 0.241 | 42% | 0.416 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | -58.1 | 179.1 | -58.7 | -59.4 | 0 | 0 | 0 | 112.1 | C29 F48 C50 C54 K57 V58 | C29-I31 PolarHBondContact O-N 3.37Å; I31-F48 HydrophobicContact CD1-CE1 4.26Å; I31-F48 HydrophobicContact CD1-CZ 3.91Å; I31-F48 HydrophobicContact CG1-CE1 4.26Å; I31-F48 HydrophobicContact CG1-CZ 4.14Å; I31-C50 HydrophobicContact CG1-CB 4.35Å; I31-C54 HydrophobicContact CB-CB 3.78Å; I31-C54 HydrophobicContact CG1-CB 3.96Å; I31-C54 HydrophobicContact CG2-CB 4.09Å; I31-K57 HydrophobicContact CG2-CB 3.97Å; I31-K57 HydrophobicContact CG2-CD 4.42Å; I31-V58 HydrophobicContact CD1-CB 4.39Å; I31-V58 HydrophobicContact CD1-CG2 3.89Å; I31-V58 HydrophobicContact CG1-CG2 4Å |
| 32 | C | 94 | Very high | 91.7 | Very high | 48 Ų | 48 | 77.6 Ų | 77.6 | 32% | 0.324 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | -1.7 | -178.5 | 64.3 | 0 | 0 | 0 | 0 | 113.3 | Q34 H51 | C32-Q34 HydrophobicContact CB-CG 4.43Å; C32-Q34 PolarHBondContact O-N 2.94Å; C32-H51 PolarHBondContact SG-CE1 2.79Å; C32-H51 PolarHBondContact SG-ND1 3.34Å |
| 33 | R | 93.3 | Very high | 91.7 | Very high | 212 Ų | 212 | 74 Ų | 74 | 80% | 0.8 | 37% | 0.37 | S | S | * | . | trans | 60.9 | -0.5 | -177.4 | -57.6 | -177.5 | 178.7 | 177.1 | -1.1 | 115.6 | C29 | C29-R33 WeakPolarHBondContact O-CA 3.46Å; C29-R33 PolarHBondContact O-N 3.31Å | ||
| 34 | Q | 94.5 | Very high | 92 | Very high | 131 Ų | 131 | 79.7 Ų | 79.7 | 61% | 0.612 | 40% | 0.395 | S | S | * | . | trans | -76.6 | 153.9 | 175.6 | -58.9 | -60.9 | 80.8 | 0 | 0 | 112.5 | C29 C32 | C29-Q34 WeakPolarHBondContact CB-O 2.99Å; C29-Q34 PolarHBondContact N-O 3.49Å; C32-Q34 HydrophobicContact CB-CG 4.43Å; C32-Q34 PolarHBondContact O-N 2.94Å | ||
| 35 | A | 94.4 | Very high | 92.3 | Very high | 47 Ų | 47 | 72.3 Ų | 72.3 | 39% | 0.388 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.1 | 136.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | V26 T37 H51 | V26-A35 HydrophobicContact CG1-CB 3.5Å; V26-A35 VanDerWaalsContact CG1-CB 3.5Å; A35-T37 HydrophobicContact CB-CG2 4.17Å; A35-H51 PolarHBondContact O-NE2 2.83Å |
| 36 | I | 93.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 103 | 167.4 | -53.3 | 167.6 | 0 | 0 | 0 | 106.8 | F23 K27 C29 | F23-I36 HydrophobicContact CD2-CB 4.42Å; F23-I36 HydrophobicContact CD2-CG2 3.52Å; F23-I36 HydrophobicContact CE2-CD1 4.34Å; F23-I36 HydrophobicContact CE2-CG2 3.72Å; F23-I36 HydrophobicContact CG-CG2 4.17Å; F23-I36 HydrophobicContact CZ-CD1 4.12Å; F23-I36 HydrophobicContact CZ-CG2 4.48Å; K27-I36 WeakPolarHBondContact O-CB 3.33Å; K27-I36 WeakPolarHBondContact O-CG1 3.44Å; K27-I36 PolarHBondContact O-N 3.23Å; C29-I36 HydrophobicContact CB-CD1 4.39Å; C29-I36 HydrophobicContact CB-CG1 4.11Å |
| 37 | T | 87.9 | Confident | 92.6 | Very high | 100 Ų | 100 | 68.8 Ų | 68.8 | 61% | 0.613 | 36% | 0.359 | S | S | * | . | trans | -96 | -24.1 | -170.5 | 52.6 | 0 | 0 | 0 | 0 | 114.6 | A35 | A35-T37 HydrophobicContact CB-CG2 4.17Š| ||
| 38 | R | 86.1 | Confident | 92.7 | Very high | 183 Ų | 183 | 66.6 Ų | 66.6 | 69% | 0.691 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -124.2 | -78.2 | -176.4 | -65.3 | -176.9 | 66.2 | -119.5 | -5.1 | 111.1 | A22 F23 | A22-R38 WeakPolarHBondContact CA-O 3.35Å; F23-R38 PolarHBondContact N-O 3.24Å |
| 39 | E | 93.1 | Very high | 92.7 | Very high | 91 Ų | 91 | 63.3 Ų | 63.3 | 43% | 0.425 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 145 | -179.2 | -75.3 | 176.2 | 78.5 | 0 | 0 | 110.4 | A22 | A22-E39 HydrophobicContact CB-CG 4.28Å |
| 40 | G | 94.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | -170.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | V20 K21 C50 | V20-G40 CarbonylContact C-O 3.55Å; V20-G40 VanDerWaalsContact CA-O 3.29Å; V20-G40 WeakPolarHBondContact CA-O 3.23Å; K21-G40 PolarHBondContact N-O 2.87Å; K21-G40 PolarHBondContact O-N 2.84Å; K21-G40 VanDerWaalsContact O-N 3.14Å; G40-C50 CarbonylContact C-O 3.57Å; G40-C50 WeakPolarHBondContact CA-O 3.48Å |
| 41 | C | 95.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 138.5 | -178.2 | -61.3 | 0 | 0 | 0 | 0 | 109.1 | F18 K19 S49 C50 Q55 | F18-C41 HydrophobicContact CB-CB 4Å; F18-C41 HydrophobicContact CD1-CB 3.76Å; F18-C41 HydrophobicContact CG-CB 4.07Å; K19-C41 WeakPolarHBondContact O-CA 3.46Å; C41-S49 WeakPolarHBondContact O-CA 3.42Å; C41-C50 PolarHBondContact N-O 3.31Å; C41-C50 PolarHBondContact O-N 2.93Å; C41-Q55 PolarHBondContact SG-OE1 2.93Å |
| 42 | V | 93.7 | Very high | 92.9 | Very high | 24 Ų | 24 | 67.2 Ų | 67.2 | 15% | 0.145 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 127.1 | 171.7 | -176.1 | 0 | 0 | 0 | 0 | 108.7 | K19 F23 K44 F48 | K19-V42 PolarHBondContact N-O 2.89Å; K19-V42 PolarHBondContact O-N 3.48Å; F23-V42 HydrophobicContact CE1-CG2 3.69Å; F23-V42 HydrophobicContact CE2-CG2 4.24Å; F23-V42 HydrophobicContact CZ-CG2 3.28Å; V42-K44 PolarHBondContact O-N 3.28Å; V42-F48 CarbonylContact C-O 3.53Å; V42-F48 WeakPolarHBondContact CA-O 3.06Å |
| 43 | C | 93.4 | Very high | 92.8 | Very high | 2 Ų | 2 | 72.3 Ų | 72.3 | 1% | 0.014 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 128.6 | 172.1 | -176.3 | 0 | 0 | 0 | 0 | 109.7 | H16 H17 F18 V45 C46 S47 F48 | H16-C43 HydrophobicContact CB-CB 4.2Å; H16-C43 PolarHBondContact ND1-SG 2.94Å; H17-C43 WeakPolarHBondContact O-CA 3.47Å; F18-C43 HydrophobicContact CD1-CB 4.14Å; F18-C43 HydrophobicContact CE1-CB 3.95Å; C43-V45 PolarHBondContact O-N 3.49Å; C43-C46 VanDerWaalsContact CB-SG 3.56Å; C43-S47 VanDerWaalsContact O-CA 3.23Å; C43-S47 WeakPolarHBondContact O-CA 3.18Å; C43-S47 PolarHBondContact O-N 2.94Å; C43-S47 VanDerWaalsContact O-N 3.12Å; C43-F48 HydrophobicContact CB-CB 4.1Å; C43-F48 PolarHBondContact N-O 2.85Å |
| 44 | K | 92.6 | Very high | 92.9 | Very high | 154 Ų | 154 | 62.5 Ų | 62.5 | 67% | 0.67 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -18.4 | -179.4 | -65.9 | -177.5 | -176.4 | 176.1 | 0 | 113.8 | H17 K19 V42 | H17-K44 PolarHBondContact O-N 3.14Å; K19-K44 HydrophobicContact CB-CG 4.32Å; V42-K44 PolarHBondContact O-N 3.28Å |
| 45 | V | 90.9 | Very high | 92.7 | Very high | 67 Ų | 67 | 60.2 Ų | 60.2 | 41% | 0.406 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -62 | -173.6 | -180 | 0 | 0 | 0 | 0 | 110.5 | C43 P64 | C43-V45 PolarHBondContact O-N 3.49Å; V45-P64 HydrophobicContact CG1-CB 3.82Å; V45-P64 HydrophobicContact CG1-CG 4.4Å |
| 46 | C | 90.3 | Very high | 92.4 | Very high | 21 Ų | 21 | 62.8 Ų | 62.8 | 14% | 0.142 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | 2.5 | -175.7 | 65.2 | 0 | 0 | 0 | 0 | 114.3 | H16 C43 F48 C62 V63 | H16-C46 PolarHBondContact CE1-SG 3.48Å; H16-C46 PolarHBondContact ND1-SG 3.22Å; C43-C46 VanDerWaalsContact CB-SG 3.56Å; C46-F48 PolarHBondContact O-N 3.46Å; C46-F48 VanDerWaalsContact O-N 3.07Å; C46-F48 WeakPolarHBondContact SG-CB 3.43Å; C46-C62 VanDerWaalsContact SG-SG 3.64Å; C46-V63 WeakPolarHBondContact CB-O 3.21Å |
| 47 | S | 91.1 | Very high | 92.2 | Very high | 84 Ų | 84 | 69.9 Ų | 69.9 | 59% | 0.587 | 35% | 0.349 | S | S | * | . | trans | 58.9 | 14.2 | -175 | 71.8 | 0 | 0 | 0 | 0 | 115.9 | C43 S49 | C43-S47 VanDerWaalsContact O-CA 3.23Å; C43-S47 WeakPolarHBondContact O-CA 3.18Å; C43-S47 PolarHBondContact O-N 2.94Å; C43-S47 VanDerWaalsContact O-N 3.12Å; S47-S49 PolarHBondContact O-N 3.03Å; S47-S49 PolarHBondContact O-OG 2.82Å | ||
| 48 | F | 93.2 | Very high | 92.3 | Very high | 53 Ų | 53 | 66.5 Ų | 66.5 | 23% | 0.232 | 33% | 0.328 | C | S | . | . | trans | -59.6 | 127.7 | 176.9 | -174.6 | -100.3 | 0 | 0 | 0 | 111.6 | F18 G30 I31 V42 C43 C46 C50 V58 | F18-F48 AromaticContact CE1-CD1 3.95Å; F18-F48 HydrophobicContact CE1-CD1 3.95Å; F18-F48 HydrophobicContact CZ-CD1 4.04Å; G30-F48 VanDerWaalsContact CA-CZ 3.48Å; I31-F48 HydrophobicContact CD1-CE1 4.26Å; I31-F48 HydrophobicContact CD1-CZ 3.91Å; I31-F48 HydrophobicContact CG1-CE1 4.26Å; I31-F48 HydrophobicContact CG1-CZ 4.14Å; V42-F48 CarbonylContact C-O 3.53Å; V42-F48 WeakPolarHBondContact CA-O 3.06Å; C43-F48 HydrophobicContact CB-CB 4.1Å; C43-F48 PolarHBondContact N-O 2.85Å; C46-F48 PolarHBondContact O-N 3.46Å; C46-F48 VanDerWaalsContact O-N 3.07Å; C46-F48 WeakPolarHBondContact SG-CB 3.43Å; F48-C50 HydrophobicContact CD1-CB 4.43Å; F48-C50 HydrophobicContact CE1-CB 3.88Å; F48-V58 HydrophobicContact CE1-CG1 4.36Å; F48-V58 HydrophobicContact CE1-CG2 4.05Å | ||
| 49 | S | 94.4 | Very high | 92.2 | Very high | 20 Ų | 20 | 62.5 Ų | 62.5 | 14% | 0.14 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 129.5 | -176 | -60.4 | 0 | 0 | 0 | 0 | 111.2 | G30 C41 S47 | G30-S49 PolarHBondContact N-O 3.47Å; C41-S49 WeakPolarHBondContact O-CA 3.42Å; S47-S49 PolarHBondContact O-N 3.03Å; S47-S49 PolarHBondContact O-OG 2.82Å |
| 50 | C | 95.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 167 | 177.9 | 68.3 | 0 | 0 | 0 | 0 | 112.5 | I31 G40 C41 F48 C54 | I31-C50 HydrophobicContact CG1-CB 4.35Å; G40-C50 CarbonylContact C-O 3.57Å; G40-C50 WeakPolarHBondContact CA-O 3.48Å; C41-C50 PolarHBondContact N-O 3.31Å; C41-C50 PolarHBondContact O-N 2.93Å; F48-C50 HydrophobicContact CD1-CB 4.43Å; F48-C50 HydrophobicContact CE1-CB 3.88Å; C50-C54 HydrophobicContact CB-CB 4.12Å |
| 51 | H | 96 | Very high | 91.6 | Very high | 21 Ų | 21 | 64.4 Ų | 64.4 | 10% | 0.097 | 36% | 0.359 | C | S | . | . | trans | -70.7 | 157.4 | 169.7 | -56.5 | 106.7 | 0 | 0 | 0 | 111.2 | C29 C32 A35 K53 C54 Q55 | C29-H51 VanDerWaalsContact CB-CE1 3.42Å; C29-H51 WeakPolarHBondContact CB-CE1 3.29Å; C29-H51 WeakPolarHBondContact CB-ND1 3.32Å; C29-H51 PolarHBondContact SG-N 3.12Å; C29-H51 PolarHBondContact SG-ND1 3.07Å; C29-H51 VanDerWaalsContact SG-ND1 3.38Å; C32-H51 PolarHBondContact SG-CE1 2.79Å; C32-H51 PolarHBondContact SG-ND1 3.34Å; A35-H51 PolarHBondContact O-NE2 2.83Å; H51-K53 VanDerWaalsContact C-N 3.29Å; H51-K53 HydrophobicContact CB-CG 3.9Å; H51-K53 PolarHBondContact O-N 3.38Å; H51-C54 HydrophobicContact CB-CB 4.23Å; H51-C54 WeakPolarHBondContact O-CA 3.43Å; H51-C54 WeakPolarHBondContact O-CB 3.43Å; H51-C54 PolarHBondContact O-N 3.48Å; H51-Q55 PolarHBondContact O-N 2.92Å | ||
| 52 | R | 93.3 | Very high | 91.4 | Very high | 153 Ų | 153 | 65.4 Ų | 65.4 | 58% | 0.577 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -51.7 | -46.6 | 170.4 | -91.6 | -172.6 | 174.5 | 166.5 | 0.1 | 112.3 | V20 C54 Q55 | V20-R52 HydrophobicContact CG2-CG 4.43Å; R52-C54 PolarHBondContact O-N 3.21Å; R52-Q55 VanDerWaalsContact O-CB 3.28Å; R52-Q55 WeakPolarHBondContact O-CB 3.49Å; R52-Q55 PolarHBondContact O-N 3.32Å |
| 53 | K | 93.4 | Very high | 91.1 | Very high | 156 Ų | 156 | 69.1 Ų | 69.1 | 68% | 0.678 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -62.8 | -24.5 | 176.9 | 65.8 | 175.5 | -172.9 | -78.7 | 0 | 114.1 | H51 | H51-K53 VanDerWaalsContact C-N 3.29Å; H51-K53 HydrophobicContact CB-CG 3.9Å; H51-K53 PolarHBondContact O-N 3.38Å |
| 54 | C | 94.1 | Very high | 90.8 | Very high | 5 Ų | 5 | 72.7 Ų | 72.7 | 3% | 0.034 | 41% | 0.412 | C | S | . | . | G | 310 helix | trans | -88.2 | -14.7 | -178.4 | -69.1 | 0 | 0 | 0 | 0 | 112.6 | C29 I31 C50 H51 R52 A56 K57 | C29-C54 VanDerWaalsContact SG-SG 3.65Å; I31-C54 HydrophobicContact CB-CB 3.78Å; I31-C54 HydrophobicContact CG1-CB 3.96Å; I31-C54 HydrophobicContact CG2-CB 4.09Å; C50-C54 HydrophobicContact CB-CB 4.12Å; H51-C54 HydrophobicContact CB-CB 4.23Å; H51-C54 WeakPolarHBondContact O-CA 3.43Å; H51-C54 WeakPolarHBondContact O-CB 3.43Å; H51-C54 PolarHBondContact O-N 3.48Å; R52-C54 PolarHBondContact O-N 3.21Å; C54-A56 VanDerWaalsContact C-N 3.32Å; C54-A56 PolarHBondContact O-N 3.22Å; C54-K57 PolarHBondContact O-N 2.94Å |
| 55 | Q | 90.8 | Very high | 90.2 | Very high | 84 Ų | 84 | 70 Ų | 70 | 39% | 0.393 | 41% | 0.41 | S | S | . | . | G | 310 helix | trans | -56.6 | -43.1 | -177.4 | 179.8 | 173.3 | -24.3 | 0 | 0 | 112.5 | F18 C41 H51 R52 K57 V58 | F18-Q55 HydrophobicContact CD2-CG 3.55Å; F18-Q55 HydrophobicContact CE2-CG 3.86Å; F18-Q55 HydrophobicContact CG-CG 4.23Å; C41-Q55 PolarHBondContact SG-OE1 2.93Å; H51-Q55 PolarHBondContact O-N 2.92Å; R52-Q55 VanDerWaalsContact O-CB 3.28Å; R52-Q55 WeakPolarHBondContact O-CB 3.49Å; R52-Q55 PolarHBondContact O-N 3.32Å; Q55-K57 PolarHBondContact O-N 2.77Å; Q55-V58 VanDerWaalsContact O-CG2 3.3Å; Q55-V58 WeakPolarHBondContact O-CG2 3.38Å; Q55-V58 PolarHBondContact O-N 3.3Å |
| 56 | A | 87.7 | Confident | 89.3 | Confident | 101 Ų | 101 | 72 Ų | 72 | 84% | 0.835 | 43% | 0.426 | S | S | * | . | G | 310 helix | trans | -68.9 | -14.9 | 179 | 0 | 0 | 0 | 0 | 0 | 113.7 | C54 | C54-A56 VanDerWaalsContact C-N 3.32Å; C54-A56 PolarHBondContact O-N 3.22Å |
| 57 | K | 90 | Very high | 88 | Confident | 148 Ų | 148 | 77 Ų | 77 | 64% | 0.643 | 46% | 0.462 | S | S | * | . | G | 310 helix | trans | -97.4 | 4.5 | -178.8 | -56.4 | -178 | 78.2 | -139.3 | 0 | 112.6 | I31 C54 Q55 A59 | I31-K57 HydrophobicContact CG2-CB 3.97Å; I31-K57 HydrophobicContact CG2-CD 4.42Å; C54-K57 PolarHBondContact O-N 2.94Å; Q55-K57 PolarHBondContact O-N 2.77Å; K57-A59 PolarHBondContact O-N 3.49Å; K57-A59 VanDerWaalsContact O-N 3.11Å |
| 58 | V | 88.6 | Confident | 86.6 | Confident | 30 Ų | 30 | 81.3 Ų | 81.3 | 18% | 0.182 | 47% | 0.472 | C | S | . | . | trans | -78.2 | 96.9 | -179.8 | -175.7 | 0 | 0 | 0 | 0 | 108.4 | F18 I31 F48 Q55 | F18-V58 HydrophobicContact CE2-CG2 4.14Å; F18-V58 HydrophobicContact CZ-CB 4.47Å; F18-V58 HydrophobicContact CZ-CG1 4.32Å; F18-V58 HydrophobicContact CZ-CG2 3.87Å; I31-V58 HydrophobicContact CD1-CB 4.39Å; I31-V58 HydrophobicContact CD1-CG2 3.89Å; I31-V58 HydrophobicContact CG1-CG2 4Å; F48-V58 HydrophobicContact CE1-CG1 4.36Å; F48-V58 HydrophobicContact CE1-CG2 4.05Å; Q55-V58 VanDerWaalsContact O-CG2 3.3Å; Q55-V58 WeakPolarHBondContact O-CG2 3.38Å; Q55-V58 PolarHBondContact O-N 3.3Å | ||
| 59 | A | 85.9 | Confident | 84.6 | Confident | 99 Ų | 99 | 86.8 Ų | 86.8 | 82% | 0.818 | 50% | 0.499 | S | S | * | . | trans | -91.3 | -16.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | K57 | K57-A59 PolarHBondContact O-N 3.49Å; K57-A59 VanDerWaalsContact O-N 3.11Å | ||
| 60 | A | 85.9 | Confident | 82.8 | Confident | 56 Ų | 56 | 93.8 Ų | 93.8 | 46% | 0.463 | 53% | 0.534 | S | S | . | . | S | Bend | trans | -67.4 | 132.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | H16 | H16-A60 PolarHBondContact CD2-O 3.24Å; H16-A60 PolarHBondContact NE2-O 2.73Å |
| 61 | P | 88.2 | Confident | 80.5 | Confident | 75 Ų | 75 | 98.2 Ų | 98.2 | 49% | 0.487 | 56% | 0.56 | S | S | . | * | trans | -63.8 | 152.2 | 176.3 | 27.4 | -34.1 | 0 | 0 | 0 | 110.9 | K14 H16 V63 | K14-P61 HydrophobicContact CB-CB 4.1Å; K14-P61 HydrophobicContact CD-CB 4.33Å; H16-P61 PolarHBondContact NE2-O 2.94Å; P61-V63 HydrophobicContact CG-CG2 4.49Å; P61-V63 PolarHBondContact O-N 2.8Å | ||
| 62 | C | 90.8 | Very high | 78.1 | Confident | 21 Ų | 21 | 102.2 Ų | 102.2 | 14% | 0.142 | 59% | 0.588 | C | S | . | * | trans | -73 | 114.1 | 174.3 | -161.5 | 0 | 0 | 0 | 0 | 110.3 | K14 H16 C46 | K14-C62 WeakPolarHBondContact O-CB 3.3Å; K14-C62 PolarHBondContact O-N 2.93Å; H16-C62 PolarHBondContact ND1-SG 2.9Å; H16-C62 PolarHBondContact NE2-N 3.47Å; C46-C62 VanDerWaalsContact SG-SG 3.64Å | ||
| 63 | V | 88.2 | Confident | 76.3 | Confident | 101 Ų | 101 | 102.2 Ų | 102.2 | 61% | 0.612 | 60% | 0.598 | S | S | * | * | trans | -115.5 | 107.7 | 177.7 | -175.3 | 0 | 0 | 0 | 0 | 109.2 | C46 P61 | C46-V63 WeakPolarHBondContact CB-O 3.21Å; P61-V63 HydrophobicContact CG-CG2 4.49Å; P61-V63 PolarHBondContact O-N 2.8Å | ||
| 64 | P | 85.8 | Confident | 74 | Confident | 78 Ų | 78 | 99.3 Ų | 99.3 | 51% | 0.506 | 59% | 0.594 | S | S | . | * | P | Polyproline II helix | trans | -64.4 | 147.4 | 174.9 | 24.4 | -30.4 | 0 | 0 | 0 | 110.7 | V45 S66 | V45-P64 HydrophobicContact CG1-CB 3.82Å; V45-P64 HydrophobicContact CG1-CG 4.4Å; P64-S66 PolarHBondContact O-N 3.42Å |
| 65 | P | 79.8 | Confident | 72.1 | Confident | 97 Ų | 97 | 104.4 Ų | 104.4 | 63% | 0.63 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 124.9 | 173.1 | 26.2 | -32.9 | 0 | 0 | 0 | 109.3 | S67 | P65-S67 PolarHBondContact O-N 3.23Š|
| 66 | S | 72.8 | Confident | 70.2 | Confident | 108 Ų | 108 | 106.3 Ų | 106.3 | 76% | 0.755 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 130.8 | 168.2 | 53.1 | 0 | 0 | 0 | 0 | 108.1 | P64 H68 | P64-S66 PolarHBondContact O-N 3.42Å; S66-H68 PolarHBondContact O-N 3.21Å |
| 67 | S | 63.7 | Low | 68.4 | Low | 126 Ų | 126 | 107.2 Ų | 107.2 | 88% | 0.881 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -62.7 | 14.4 | -168 | -165.8 | 0 | 0 | 0 | 0 | 116.6 | P65 | P65-S67 PolarHBondContact O-N 3.23Š|
| 68 | H | 60.2 | Low | 66.6 | Low | 176 Ų | 176 | 105 Ų | 105 | 82% | 0.815 | 63% | 0.628 | S | S | * | * | trans | -120.7 | 31.3 | -167.6 | -154.4 | -81.4 | 0 | 0 | 0 | 115.9 | S66 | S66-H68 PolarHBondContact O-N 3.21Š| ||
| 69 | E | 51.3 | Low | 64.7 | Low | 167 Ų | 167 | 110 Ų | 110 | 78% | 0.78 | 66% | 0.661 | S | S | * | * | trans | -149.6 | 99.4 | 154 | -146.4 | -179.7 | 84.3 | 0 | 0 | 111.5 | V71 | E69-V71 VanDerWaalsContact C-N 3.34Å; E69-V71 HydrophobicContact CG-CG2 3.88Å; E69-V71 PolarHBondContact O-N 3Å; E69-V71 WeakPolarHBondContact OE1-CG2 3.28Å | ||
| 70 | L | 57.9 | Low | 63.5 | Low | 168 Ų | 168 | 113.2 Ų | 113.2 | 88% | 0.88 | 66% | 0.656 | S | S | * | * | trans | -70.9 | 90.7 | 165.6 | -68.1 | 167.7 | 0 | 0 | 0 | 108.5 | ||||
| 71 | V | 45.5 | Very low | 61.6 | Low | 92 Ų | 92 | 117.4 Ų | 117.4 | 56% | 0.558 | 67% | 0.671 | S | S | * | * | trans | -143 | 96.9 | 151.9 | -113.4 | 0 | 0 | 0 | 0 | 108.7 | E69 I73 | E69-V71 VanDerWaalsContact C-N 3.34Å; E69-V71 HydrophobicContact CG-CG2 3.88Å; E69-V71 PolarHBondContact O-N 3Å; E69-V71 WeakPolarHBondContact OE1-CG2 3.28Å; V71-I73 PolarHBondContact O-N 3.34Å | ||
| 72 | P | 46.5 | Very low | 60.1 | Low | 106 Ų | 106 | 120 Ų | 120 | 69% | 0.688 | 69% | 0.685 | S | S | * | * | trans | -65.8 | 108 | 162.6 | 27.6 | -30 | 0 | 0 | 0 | 107.2 | T74 | P72-T74 HydrophobicContact CB-CG2 4.47Å; P72-T74 PolarHBondContact O-N 3.23Å | ||
| 73 | I | 54.3 | Low | 58.2 | Low | 152 Ų | 152 | 125.1 Ų | 125.1 | 78% | 0.779 | 72% | 0.715 | S | S | * | * | trans | -69.2 | 74.6 | 162.9 | -51.6 | -175.4 | 0 | 0 | 0 | 107 | V71 T75 | V71-I73 PolarHBondContact O-N 3.34Å; I73-T75 HydrophobicContact CG2-CG2 4.14Å; I73-T75 PolarHBondContact O-N 3.11Å | ||
| 74 | T | 45.6 | Very low | 56.4 | Low | 95 Ų | 95 | 127.5 Ų | 127.5 | 58% | 0.583 | 73% | 0.725 | S | S | * | * | trans | -75.5 | 98.1 | 156.8 | 49 | 0 | 0 | 0 | 0 | 105.7 | P72 E76 | P72-T74 HydrophobicContact CB-CG2 4.47Å; P72-T74 PolarHBondContact O-N 3.23Å; T74-E76 PolarHBondContact O-N 2.88Å | ||
| 75 | T | 54.4 | Low | 54.8 | Low | 112 Ų | 112 | 130 Ų | 130 | 69% | 0.687 | 74% | 0.738 | S | S | * | * | trans | -63.5 | 78.7 | 155.7 | 46.2 | 0 | 0 | 0 | 0 | 107.9 | K25 I73 | K25-T75 PolarHBondContact NZ-O 3.32Å; I73-T75 HydrophobicContact CG2-CG2 4.14Å; I73-T75 PolarHBondContact O-N 3.11Å | ||
| 76 | E | 50.4 | Low | 53.3 | Low | 125 Ų | 125 | 129 Ų | 129 | 58% | 0.584 | 75% | 0.745 | S | S | * | * | trans | -134.9 | 96.2 | 166.1 | -59.9 | -153.4 | 130.1 | 0 | 0 | 105.7 | K25 T74 | K25-E76 VanDerWaalsContact NZ-CD 3.34Å; K25-E76 IonicContact NZ-OE1 2.88Å; K25-E76 PolarHBondContact NZ-OE1 2.85Å; T74-E76 PolarHBondContact O-N 2.88Å | ||
| 77 | T | 50.8 | Low | 52.5 | Low | 120 Ų | 120 | 133.7 Ų | 133.7 | 74% | 0.736 | 76% | 0.755 | S | S | * | * | 85.5 | 107 | 104.4 | -48.8 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 78 | V | 51.8 | Low | 51.9 | Low | 102 Ų | 102 | 131.5 Ų | 131.5 | 62% | 0.618 | 75% | 0.753 | S | S | * | * | trans | 4.4 | 108.8 | 154.6 | -172.8 | 0 | 0 | 0 | 0 | 114.7 | K80 | V78-K80 HydrophobicContact CG1-CG 3.61Å; V78-K80 PolarHBondContact O-N 3.18Å; V78-K80 VanDerWaalsContact O-N 3.15Å | ||
| 79 | P | 49.6 | Very low | 51.5 | Low | 134 Ų | 134 | 128.9 Ų | 128.9 | 87% | 0.87 | 75% | 0.745 | S | S | * | * | trans | -74.1 | 106.6 | 159.9 | 28.2 | -27.6 | 0 | 0 | 0 | 108.2 | ||||
| 80 | K | 59.4 | Low | 52 | Low | 166 Ų | 166 | 126.3 Ų | 126.3 | 72% | 0.722 | 74% | 0.744 | S | S | * | * | trans | -90.8 | 139 | 161.5 | -54.6 | 179.6 | -177.6 | 178.1 | 0 | 107.2 | V78 | V78-K80 HydrophobicContact CG1-CG 3.61Å; V78-K80 PolarHBondContact O-N 3.18Å; V78-K80 VanDerWaalsContact O-N 3.15Å | ||
| 81 | N | 47.1 | Very low | 52 | Low | 144 Ų | 144 | 128.1 Ų | 128.1 | 77% | 0.77 | 74% | 0.739 | S | S | * | * | trans | 93.8 | 99 | 157.1 | 103.5 | 92.8 | 0 | 0 | 0 | 118.2 | ||||
| 82 | V | 56.8 | Low | 52.5 | Low | 129 Ų | 129 | 131 Ų | 131 | 78% | 0.782 | 76% | 0.756 | S | S | * | * | 57.5 | 122.3 | 102 | -128 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 83 | V | 50.4 | Low | 53 | Low | 129 Ų | 129 | 129 Ų | 129 | 78% | 0.782 | 76% | 0.755 | S | S | * | * | -165.8 | 130.6 | 73.4 | -61.1 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 84 | D | 50.8 | Low | 52.8 | Low | 152 Ų | 152 | 127 Ų | 127 | 81% | 0.813 | 76% | 0.755 | S | S | * | * | 87.6 | 139.5 | 92.3 | -165.9 | -131.4 | 0 | 0 | 0 | 117.3 | |||||
| 85 | V | 51.4 | Low | 53.4 | Low | 130 Ų | 130 | 128 Ų | 128 | 79% | 0.788 | 77% | 0.765 | S | S | * | * | trans | 93.4 | 110.9 | 168.1 | -166.3 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 86 | G | 48.6 | Very low | 53.5 | Low | 75 Ų | 75 | 127.9 Ų | 127.9 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | trans | 145.2 | 113.3 | 142.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 87 | E | 55.6 | Low | 53.4 | Low | 208 Ų | 208 | 131.8 Ų | 131.8 | 97% | 0.972 | 78% | 0.782 | S | S | * | * | trans | -51.4 | 152.2 | -173.7 | -75.3 | 179.9 | 63.1 | 0 | 0 | 119.6 | ||||
| 88 | G | 50.5 | Low | 53.1 | Low | 80 Ų | 80 | 133 Ų | 133 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | trans | -178 | 90.9 | 159.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 89 | D | 51.9 | Low | 53.1 | Low | 121 Ų | 121 | 134 Ų | 134 | 65% | 0.647 | 79% | 0.785 | S | S | * | * | trans | -60.5 | 131.9 | 175.1 | 170.1 | -115.6 | 0 | 0 | 0 | 113.4 | ||||
| 90 | C | 63 | Low | 52.8 | Low | 113 Ų | 113 | 135.2 Ų | 135.2 | 76% | 0.764 | 78% | 0.779 | S | S | * | * | -166.2 | 102.3 | 122.8 | 43.9 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 91 | R | 57.9 | Low | 52.3 | Low | 206 Ų | 206 | 135.2 Ų | 135.2 | 78% | 0.777 | 78% | 0.781 | S | S | * | * | trans | 50.5 | 98.9 | 138.2 | -53.2 | 177.9 | -164 | -100.1 | -6.7 | 117.8 | ||||
| 92 | V | 56.4 | Low | 52.2 | Low | 152 Ų | 152 | 131.7 Ų | 131.7 | 92% | 0.921 | 78% | 0.78 | S | S | * | * | 64.3 | 118.8 | 87.8 | 167.8 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 93 | G | 56.5 | Low | 51.5 | Low | 65 Ų | 65 | 128.9 Ų | 128.9 | 67% | 0.67 | 78% | 0.777 | S | S | * | * | trans | 116.4 | 129.1 | 144.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 94 | S | 49.5 | Very low | 51.8 | Low | 109 Ų | 109 | 128 Ų | 128 | 76% | 0.762 | 78% | 0.776 | S | S | * | * | cis | -167.9 | 124.5 | 7.4 | -68.9 | 0 | 0 | 0 | 0 | 106 | ||||
| 95 | S | 58.4 | Low | 52.1 | Low | 115 Ų | 115 | 128.7 Ų | 128.7 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | 105.7 | 153.3 | 105.9 | -79.9 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 96 | P | 56 | Low | 52.7 | Low | 111 Ų | 111 | 132.7 Ų | 132.7 | 72% | 0.721 | 78% | 0.778 | S | S | * | * | -123.7 | -177.1 | -129.5 | 29.9 | -9.3 | 0 | 0 | 0 | 113.8 | |||||
| 97 | K | 49.6 | Very low | 53 | Low | 207 Ų | 207 | 135.5 Ų | 135.5 | 90% | 0.9 | 78% | 0.779 | S | S | * | * | trans | -167.3 | 111.5 | 140 | 47.3 | -163.8 | 83.8 | 171.8 | 0 | 111.1 | ||||
| 98 | N | 44.7 | Very low | 53.2 | Low | 144 Ų | 144 | 130 Ų | 130 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | trans | -68.8 | 161.9 | 164.4 | 179 | -92.7 | 0 | 0 | 0 | 110 | ||||
| 99 | L | 50.5 | Low | 53.5 | Low | 124 Ų | 124 | 132.1 Ų | 132.1 | 65% | 0.649 | 76% | 0.763 | S | S | * | * | trans | 140.4 | 110.6 | 130.7 | -168 | 58.3 | 0 | 0 | 0 | 113.6 | ||||
| 100 | E | 44.3 | Very low | 53.7 | Low | 160 Ų | 160 | 132 Ų | 132 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | trans | 55.3 | 156.3 | 144.8 | -85.2 | 174.1 | 41.8 | 0 | 0 | 120 | ||||
| 101 | E | 47.9 | Very low | 53.6 | Low | 165 Ų | 165 | 134 Ų | 134 | 77% | 0.771 | 77% | 0.773 | S | S | * | * | cis | -154.6 | 147.4 | 10.6 | -98.3 | -114.4 | 81.8 | 0 | 0 | 104.8 | ||||
| 102 | G | 45.8 | Very low | 53.9 | Low | 71 Ų | 71 | 132.3 Ų | 132.3 | 73% | 0.732 | 77% | 0.774 | S | S | * | * | 79.3 | 121.2 | 89.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 103 | G | 42.8 | Very low | 53.8 | Low | 70 Ų | 70 | 131 Ų | 131 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | trans | 141 | 91.5 | 158.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | M105 | G103-M105 PolarHBondContact O-N 2.89Š| ||
| 104 | S | 54.8 | Low | 53.7 | Low | 111 Ų | 111 | 136.1 Ų | 136.1 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | trans | -59.2 | 121.6 | 157.1 | 177.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 105 | M | 57.9 | Low | 54.3 | Low | 166 Ų | 166 | 137.1 Ų | 137.1 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | -131.4 | 79.9 | 170.6 | -59.1 | 173.3 | 81.1 | 0 | 0 | 109.5 | G103 V107 | G103-M105 PolarHBondContact O-N 2.89Å; M105-V107 PolarHBondContact O-N 3.04Å | ||
| 106 | R | 63.4 | Low | 54.1 | Low | 214 Ų | 214 | 141.1 Ų | 141.1 | 81% | 0.808 | 79% | 0.785 | S | S | * | * | trans | -58.4 | 110.5 | 158.8 | 46.6 | -166.7 | -78.9 | -92.3 | 2.7 | 109.1 | ||||
| 107 | V | 54.6 | Low | 54.5 | Low | 133 Ų | 133 | 141.4 Ų | 141.4 | 81% | 0.806 | 79% | 0.79 | S | S | * | * | trans | -95.6 | 108.3 | 173.1 | -63.5 | 0 | 0 | 0 | 0 | 109.4 | M105 | M105-V107 PolarHBondContact O-N 3.04Š| ||
| 108 | S | 60.3 | Low | 54.7 | Low | 94 Ų | 94 | 143.9 Ų | 143.9 | 66% | 0.657 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 134.8 | 165.2 | -62.4 | 0 | 0 | 0 | 0 | 108.8 | S110 | S108-S110 PolarHBondContact O-N 3.06Š|
| 109 | P | 56.6 | Low | 55.2 | Low | 124 Ų | 124 | 143.9 Ų | 143.9 | 81% | 0.805 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 117.6 | 171.8 | 28.5 | -29.5 | 0 | 0 | 0 | 109.7 | ||
| 110 | S | 57 | Low | 55.5 | Low | 118 Ų | 118 | 144.9 Ų | 144.9 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 128.3 | 178.5 | -153.5 | 0 | 0 | 0 | 0 | 110.4 | S108 | S108-S110 PolarHBondContact O-N 3.06Š|
| 111 | I | 61.1 | Low | 56.1 | Low | 155 Ų | 155 | 144.1 Ų | 144.1 | 80% | 0.795 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 131.9 | 172.6 | -58.5 | -60 | 0 | 0 | 0 | 109.1 | ||
| 112 | Q | 62.9 | Low | 56.6 | Low | 170 Ų | 170 | 142.9 Ų | 142.9 | 79% | 0.794 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 131.3 | 175.5 | -66.4 | -175.1 | -19.1 | 0 | 0 | 111 | ||
| 113 | P | 55.3 | Low | 57.3 | Low | 124 Ų | 124 | 147.4 Ų | 147.4 | 81% | 0.805 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 142.4 | 161.6 | 32.8 | -27.6 | 0 | 0 | 0 | 110.8 | ||
| 114 | Q | 54.3 | Low | 58.2 | Low | 174 Ų | 174 | 152.5 Ų | 152.5 | 81% | 0.813 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 140.6 | 176.4 | -49.2 | -144.5 | -19.4 | 0 | 0 | 109.9 | ||
| 115 | P | 62.7 | Low | 58.5 | Low | 129 Ų | 129 | 155.5 Ų | 155.5 | 84% | 0.838 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 139 | 178.6 | 31.5 | -31 | 0 | 0 | 0 | 111.3 | ||
| 116 | Q | 54.3 | Low | 58.5 | Low | 199 Ų | 199 | 154.7 Ų | 154.7 | 93% | 0.93 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 136.7 | 169.8 | -60.1 | -178.6 | -70.7 | 0 | 0 | 109.6 | ||
| 117 | S | 63.2 | Low | 58.1 | Low | 118 Ų | 118 | 149.8 Ų | 149.8 | 83% | 0.825 | 84% | 0.842 | S | S | * | * | trans | -108.9 | 140.3 | 159 | -176.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 118 | Q | 55.3 | Low | 58.4 | Low | 259 Ų | 259 | 151.3 Ų | 151.3 | 100% | 1.21 | 85% | 0.845 | S | S | * | * | trans | -47.5 | 0 | 172.8 | -124.4 | 177 | -6.4 | 0 | 0 | 113.8 |
Retrieved 118 of 118 residues in 48.8 ms
(Link to these results)