| 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 | 70.9 | Confident | 89.1 | Confident | 202 Ų | 202 | 127.9 Ų | 127.9 | 100% | 0.995 | 64% | 0.637 | S | S | * | * | 0 | 114.5 | 0 | -61.1 | 178.7 | -160.8 | 0 | 0 | 107.2 | |||||
| 2 | G | 87.2 | Confident | 89.5 | Confident | 42 Ų | 42 | 124.7 Ų | 124.7 | 43% | 0.433 | 61% | 0.612 | S | S | . | * | trans | -81.6 | 163.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q4 Q5 | G2-Q4 PolarHBondContact O-N 3.11Å; G2-Q5 PolarHBondContact O-N 3.14Å | ||
| 3 | H | 88.4 | Confident | 89.9 | Confident | 142 Ų | 142 | 128.9 Ų | 128.9 | 66% | 0.657 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -44.9 | -39.6 | 173.9 | 164.7 | -96.8 | 0 | 0 | 0 | 113 | Q5 L6 Y7 | H3-Q5 VanDerWaalsContact C-N 3.26Å; H3-Q5 PolarHBondContact O-N 2.66Å; H3-L6 PolarHBondContact O-N 3.37Å; H3-L6 VanDerWaalsContact O-N 3.12Å; H3-Y7 PolarHBondContact O-N 3.49Å |
| 4 | Q | 90.3 | Very high | 90.1 | Very high | 180 Ų | 180 | 131.8 Ų | 131.8 | 84% | 0.841 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -59.3 | -31.5 | -179.2 | -65.6 | 179 | -3.3 | 0 | 0 | 113.8 | G2 | G2-Q4 PolarHBondContact O-N 3.11Å |
| 5 | Q | 89.5 | Confident | 90.2 | Very high | 133 Ų | 133 | 125.8 Ų | 125.8 | 62% | 0.621 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -79.6 | -26.5 | 179.2 | -67.1 | 173.2 | 1.6 | 0 | 0 | 112.3 | G2 H3 | G2-Q5 PolarHBondContact O-N 3.14Å; H3-Q5 VanDerWaalsContact C-N 3.26Å; H3-Q5 PolarHBondContact O-N 2.66Å |
| 6 | L | 90.6 | Very high | 90.3 | Very high | 110 Ų | 110 | 126.9 Ų | 126.9 | 58% | 0.576 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -92.2 | -30.8 | -176.2 | -62.3 | 178.3 | 0 | 0 | 0 | 112.5 | H3 W8 S9 | H3-L6 PolarHBondContact O-N 3.37Å; H3-L6 VanDerWaalsContact O-N 3.12Å; L6-W8 PolarHBondContact O-N 3.35Å; L6-S9 VanDerWaalsContact O-CB 3.27Å; L6-S9 WeakPolarHBondContact O-CB 3.46Å; L6-S9 PolarHBondContact O-N 3.09Å; L6-S9 PolarHBondContact O-OG 2.77Å |
| 7 | Y | 93.1 | Very high | 90.4 | Very high | 154 Ų | 154 | 121.6 Ų | 121.6 | 60% | 0.604 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.5 | 125.9 | -179.7 | -177.3 | -106 | 0 | 0 | 0 | 111.2 | H3 S9 | H3-Y7 PolarHBondContact O-N 3.49Å; Y7-S9 PolarHBondContact O-N 3.15Å |
| 8 | W | 90.5 | Very high | 90.6 | Very high | 144 Ų | 144 | 116.9 Ų | 116.9 | 55% | 0.545 | 59% | 0.589 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 60.3 | 12.4 | -179.1 | -107.4 | 79.6 | 0 | 0 | 0 | 116.3 | L6 H10 R12 | L6-W8 PolarHBondContact O-N 3.35Å; W8-H10 VanDerWaalsContact C-N 3.26Å; W8-H10 PolarHBondContact O-N 3.39Å; W8-R12 VanDerWaalsContact CZ3-NH1 3.27Å |
| 9 | S | 93.4 | Very high | 90.8 | Very high | 79 Ų | 79 | 115 Ų | 115 | 55% | 0.552 | 58% | 0.575 | S | S | * | * | trans | -58.5 | -30 | -177.1 | 55.7 | 0 | 0 | 0 | 0 | 114.8 | L6 Y7 P11 | L6-S9 VanDerWaalsContact O-CB 3.27Å; L6-S9 WeakPolarHBondContact O-CB 3.46Å; L6-S9 PolarHBondContact O-N 3.09Å; L6-S9 PolarHBondContact O-OG 2.77Å; Y7-S9 PolarHBondContact O-N 3.15Å; S9-P11 WeakPolarHBondContact O-CD 3.44Å | ||
| 10 | H | 91.9 | Very high | 91 | Very high | 134 Ų | 134 | 112.1 Ų | 112.1 | 62% | 0.62 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -71.4 | 121.2 | 179.3 | -171.8 | 72.7 | 0 | 0 | 0 | 112.2 | W8 R12 | W8-H10 VanDerWaalsContact C-N 3.26Å; W8-H10 PolarHBondContact O-N 3.39Å; H10-R12 PolarHBondContact O-N 3.35Å; H10-R12 PolarHBondContact O-NH1 3.07Å; H10-R12 VanDerWaalsContact O-NH1 3.17Å |
| 11 | P | 94.3 | Very high | 91.3 | Very high | 87 Ų | 87 | 106.8 Ų | 106.8 | 57% | 0.565 | 54% | 0.539 | S | S | * | . | trans | -65.7 | 120 | 180 | -20.9 | 33.1 | 0 | 0 | 0 | 112.5 | S9 | S9-P11 WeakPolarHBondContact O-CD 3.44Š| ||
| 12 | R | 93.6 | Very high | 92.5 | Very high | 89 Ų | 89 | 105.8 Ų | 105.8 | 34% | 0.336 | 52% | 0.524 | S | S | . | . | trans | -102.8 | 57.5 | 177.2 | -62 | 174.9 | -167.9 | 75.8 | -3.8 | 111 | W8 H10 S18 | W8-R12 VanDerWaalsContact CZ3-NH1 3.27Å; H10-R12 PolarHBondContact O-N 3.35Å; H10-R12 PolarHBondContact O-NH1 3.07Å; H10-R12 VanDerWaalsContact O-NH1 3.17Å; R12-S18 WeakPolarHBondContact O-CA 3.18Å; R12-S18 WeakPolarHBondContact O-CB 3.3Å | ||
| 13 | K | 94.6 | Very high | 92.9 | Very high | 180 Ų | 180 | 106.7 Ų | 106.7 | 78% | 0.783 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -73.3 | -27.8 | -178.4 | -65.2 | -174.7 | 180 | -179 | 0 | 112.9 | ||
| 14 | F | 93.4 | Very high | 93.3 | Very high | 169 Ų | 169 | 102.9 Ų | 102.9 | 74% | 0.741 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -138.9 | 175.8 | -176.9 | 58.2 | -92.3 | 0 | 0 | 0 | 112.2 | S18 | F14-S18 VanDerWaalsContact C-OG 3.27Å; F14-S18 WeakPolarHBondContact CA-OG 3.32Å; F14-S18 WeakPolarHBondContact O-CB 3.34Å |
| 15 | G | 92.1 | Very high | 93.6 | Very high | 42 Ų | 42 | 98.2 Ų | 98.2 | 43% | 0.433 | 50% | 0.497 | S | S | . | . | S | Bend | trans | 84.4 | -166.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | S18 R19 | G15-S18 PolarHBondContact O-OG 3.24Å; G15-R19 PolarHBondContact O-NH1 3.41Å; G15-R19 VanDerWaalsContact O-NH1 3.16Å |
| 16 | Q | 90.7 | Very high | 93.8 | Very high | 144 Ų | 144 | 94.4 Ų | 94.4 | 67% | 0.673 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -72.5 | -38 | -179.3 | -63.2 | -178.1 | 15.1 | 0 | 0 | 111.8 | S18 R19 | Q16-S18 PolarHBondContact O-N 2.91Å; Q16-R19 PolarHBondContact O-N 3.03Å |
| 17 | G | 91.9 | Very high | 94 | Very high | 37 Ų | 37 | 95.5 Ų | 95.5 | 38% | 0.381 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -13.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | R19 | G17-R19 VanDerWaalsContact C-N 3.33Š|
| 18 | S | 94.1 | Very high | 94 | Very high | 36 Ų | 36 | 93.6 Ų | 93.6 | 25% | 0.252 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -7.5 | -179.6 | 75.3 | 0 | 0 | 0 | 0 | 114.1 | R12 F14 G15 Q16 | R12-S18 WeakPolarHBondContact O-CA 3.18Å; R12-S18 WeakPolarHBondContact O-CB 3.3Å; F14-S18 VanDerWaalsContact C-OG 3.27Å; F14-S18 WeakPolarHBondContact CA-OG 3.32Å; F14-S18 WeakPolarHBondContact O-CB 3.34Å; G15-S18 PolarHBondContact O-OG 3.24Å; Q16-S18 PolarHBondContact O-N 2.91Å |
| 19 | R | 94.5 | Very high | 94.2 | Very high | 81 Ų | 81 | 88.6 Ų | 88.6 | 31% | 0.306 | 47% | 0.467 | S | S | . | . | trans | -137.8 | 150 | -173 | -61.2 | 176.6 | -174.2 | 87.2 | 0.7 | 110.7 | G15 Q16 G17 R27 L30 | G15-R19 PolarHBondContact O-NH1 3.41Å; G15-R19 VanDerWaalsContact O-NH1 3.16Å; Q16-R19 PolarHBondContact O-N 3.03Å; G17-R19 VanDerWaalsContact C-N 3.33Å; R19-R27 WeakPolarHBondContact O-CG 3.25Å; R19-L30 HydrophobicContact CB-CD1 3.65Å | ||
| 20 | S | 96 | Very high | 94.4 | Very high | 57 Ų | 57 | 86.4 Ų | 86.4 | 40% | 0.399 | 45% | 0.449 | S | S | . | . | trans | -142.2 | 157.8 | 173.8 | 54.3 | 0 | 0 | 0 | 0 | 109.4 | R22 | S20-R22 PolarHBondContact O-N 3.28Š| ||
| 21 | C | 97 | Very high | 94.6 | Very high | 0 Ų | 0 | 82.4 Ų | 82.4 | 0% | 0 | 43% | 0.432 | C | S | . | . | trans | -65.9 | 131.1 | 172.9 | 174.1 | 0 | 0 | 0 | 0 | 108.9 | V23 C24 S25 N26 L30 N37 C39 | C21-V23 PolarHBondContact O-N 3.45Å; C21-V23 PolarHBondContact SG-N 3.39Å; C21-V23 VanDerWaalsContact SG-N 3.39Å; C21-C24 VanDerWaalsContact SG-SG 3.65Å; C21-S25 VanDerWaalsContact O-CA 3.27Å; C21-S25 WeakPolarHBondContact O-CA 3.24Å; C21-S25 PolarHBondContact O-N 3.46Å; C21-N26 WeakPolarHBondContact CB-O 3.39Å; C21-N26 PolarHBondContact N-O 3.41Å; C21-L30 HydrophobicContact CB-CD2 3.71Å; C21-N37 WeakPolarHBondContact CA-O 3.34Å; C21-C39 HydrophobicContact CB-CB 3.94Å; C21-C39 PolarHBondContact SG-N 3.27Å | ||
| 22 | R | 95.5 | Very high | 94.6 | Very high | 181 Ų | 181 | 85.1 Ų | 85.1 | 68% | 0.683 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -14.6 | 178.1 | 75.9 | 179.5 | -145.9 | -178.9 | 9.1 | 115 | S20 N37 M38 | S20-R22 PolarHBondContact O-N 3.28Å; R22-N37 PolarHBondContact N-O 3.14Å; R22-M38 HydrophobicContact CG-CG 3.75Å; R22-M38 HydrophobicContact CG-SD 4.48Å |
| 23 | V | 95.9 | Very high | 94.7 | Very high | 62 Ų | 62 | 87.3 Ų | 87.3 | 38% | 0.376 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102 | -57.8 | -175.9 | -178.9 | 0 | 0 | 0 | 0 | 111.2 | C21 M38 C42 Y46 | C21-V23 PolarHBondContact O-N 3.45Å; C21-V23 PolarHBondContact SG-N 3.39Å; C21-V23 VanDerWaalsContact SG-N 3.39Å; V23-M38 HydrophobicContact CG2-CG 4.24Å; V23-M38 HydrophobicContact CG2-SD 4.22Å; V23-C42 HydrophobicContact CB-CB 4.04Å; V23-C42 HydrophobicContact CG1-CB 4.31Å; V23-C42 HydrophobicContact CG2-CB 4.19Å; V23-Y46 HydrophobicContact CG1-CE2 3.74Å; V23-Y46 HydrophobicContact CG2-CD2 4.41Å; V23-Y46 HydrophobicContact CG2-CE2 4.31Å |
| 24 | C | 96.6 | Very high | 94.8 | Very high | 61 Ų | 61 | 86.7 Ų | 86.7 | 41% | 0.412 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.1 | 2 | -173.4 | 64.5 | 0 | 0 | 0 | 0 | 114.4 | C21 N26 C39 | C21-C24 VanDerWaalsContact SG-SG 3.65Å; C24-N26 PolarHBondContact O-N 3.31Å; C24-N26 WeakPolarHBondContact SG-CB 3.42Å; C24-C39 PolarHBondContact SG-SG 3.14Å |
| 25 | S | 95.6 | Very high | 94.8 | Very high | 83 Ų | 83 | 81.1 Ų | 81.1 | 58% | 0.58 | 43% | 0.427 | S | S | * | . | trans | 60.4 | 5.8 | -175.2 | -61.7 | 0 | 0 | 0 | 0 | 116.2 | C21 | C21-S25 VanDerWaalsContact O-CA 3.27Å; C21-S25 WeakPolarHBondContact O-CA 3.24Å; C21-S25 PolarHBondContact O-N 3.46Å | ||
| 26 | N | 95.1 | Very high | 94.9 | Very high | 52 Ų | 52 | 80.1 Ų | 80.1 | 28% | 0.278 | 41% | 0.411 | S | S | . | . | trans | -61.2 | 137.6 | 173.1 | -172.3 | 3 | 0 | 0 | 0 | 110.5 | C21 C24 H28 C39 | C21-N26 WeakPolarHBondContact CB-O 3.39Å; C21-N26 PolarHBondContact N-O 3.41Å; C24-N26 PolarHBondContact O-N 3.31Å; C24-N26 WeakPolarHBondContact SG-CB 3.42Å; N26-H28 PolarHBondContact OD1-CD2 3.43Å; N26-H28 PolarHBondContact OD1-N 3.2Å; N26-C39 HydrophobicContact CB-CB 4.5Å | ||
| 27 | R | 94.2 | Very high | 95.1 | Very high | 133 Ų | 133 | 76.3 Ų | 76.3 | 50% | 0.502 | 40% | 0.396 | S | S | . | . | trans | -91.6 | -15.4 | 179.1 | -58 | -171.1 | 177.1 | 92.1 | 2.6 | 113.1 | R19 | R19-R27 WeakPolarHBondContact O-CG 3.25Š| ||
| 28 | H | 94 | Very high | 95.4 | Very high | 115 Ų | 115 | 74.6 Ų | 74.6 | 53% | 0.532 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -93.7 | 146.3 | -174.3 | -59.8 | -78.3 | 0 | 0 | 0 | 112.8 | N26 L30 | N26-H28 PolarHBondContact OD1-CD2 3.43Å; N26-H28 PolarHBondContact OD1-N 3.2Å; H28-L30 PolarHBondContact O-N 3.19Å |
| 29 | G | 94.5 | Very high | 95.5 | Very high | 39 Ų | 39 | 73 Ų | 73 | 40% | 0.402 | 37% | 0.366 | S | S | . | . | S | Bend | trans | 59.8 | 43.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | C39 R40 | G29-C39 CarbonylContact O-C 3.54Å; G29-C39 WeakPolarHBondContact O-CA 3.46Å; G29-R40 PolarHBondContact O-N 3.27Å |
| 30 | L | 96 | Very high | 95.6 | Very high | 33 Ų | 33 | 75.5 Ų | 75.5 | 17% | 0.173 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 123.2 | 178.7 | -65.9 | 175.1 | 0 | 0 | 0 | 111.5 | R19 C21 H28 R32 M38 C39 | R19-L30 HydrophobicContact CB-CD1 3.65Å; C21-L30 HydrophobicContact CB-CD2 3.71Å; H28-L30 PolarHBondContact O-N 3.19Å; L30-R32 HydrophobicContact CB-CG 4.33Å; L30-R32 PolarHBondContact O-N 2.85Å; L30-M38 CarbonylContact C-O 3.59Å; L30-C39 HydrophobicContact CD2-CB 4.29Å |
| 31 | I | 96.2 | Very high | 95.7 | Very high | 50 Ų | 50 | 78.5 Ų | 78.5 | 26% | 0.256 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 109.4 | 165.2 | -57.6 | -179.4 | 0 | 0 | 0 | 107.5 | K33 L36 N37 M38 F43 | I31-K33 HydrophobicContact CG2-CB 4.49Å; I31-L36 HydrophobicContact CG2-CD1 4.16Å; I31-N37 PolarHBondContact O-N 2.91Å; I31-N37 VanDerWaalsContact O-N 3.14Å; I31-M38 PolarHBondContact N-O 3.38Å; I31-M38 PolarHBondContact O-N 3.43Å; I31-F43 HydrophobicContact CD1-CB 3.6Å; I31-F43 HydrophobicContact CD1-CD1 3.58Å; I31-F43 HydrophobicContact CD1-CD2 4.19Å; I31-F43 HydrophobicContact CD1-CE1 4.32Å; I31-F43 HydrophobicContact CD1-CG 3.5Å; I31-F43 VanDerWaalsContact CD1-CG 3.5Å |
| 32 | R | 94.7 | Very high | 95.7 | Very high | 144 Ų | 144 | 78.9 Ų | 78.9 | 54% | 0.543 | 39% | 0.386 | S | S | . | . | trans | -99.8 | -13.3 | -176.9 | -63.6 | 171.6 | 61.7 | -167.9 | -4.7 | 113.1 | L30 G35 | L30-R32 HydrophobicContact CB-CG 4.33Å; L30-R32 PolarHBondContact O-N 2.85Å; R32-G35 PolarHBondContact O-N 3.42Å | ||
| 33 | K | 95.7 | Very high | 95.8 | Very high | 134 Ų | 134 | 72.2 Ų | 72.2 | 58% | 0.583 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -59.1 | 140.6 | 179.5 | -158.6 | -178.7 | -176.3 | -166.5 | 0 | 109.2 | I31 G35 L36 | I31-K33 HydrophobicContact CG2-CB 4.49Å; K33-G35 PolarHBondContact O-N 3.18Å; K33-G35 VanDerWaalsContact O-N 3.14Å; K33-L36 WeakPolarHBondContact O-CG 3.5Å; K33-L36 PolarHBondContact O-N 2.91Å |
| 34 | Y | 96.3 | Very high | 95.8 | Very high | 168 Ų | 168 | 79.4 Ų | 79.4 | 66% | 0.659 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | 58.9 | 19.2 | -179.1 | -45.5 | -68.7 | 0 | 0 | 0 | 115.3 | L36 | Y34-L36 PolarHBondContact O-N 2.74Š|
| 35 | G | 94.2 | Very high | 95.8 | Very high | 52 Ų | 52 | 83 Ų | 83 | 54% | 0.536 | 39% | 0.393 | S | S | . | . | G | 310 helix | trans | 71.6 | 14.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | R32 K33 N37 | R32-G35 PolarHBondContact O-N 3.42Å; K33-G35 PolarHBondContact O-N 3.18Å; K33-G35 VanDerWaalsContact O-N 3.14Å; G35-N37 PolarHBondContact O-N 3.35Å; G35-N37 PolarHBondContact O-ND2 2.97Å |
| 36 | L | 95.2 | Very high | 95.9 | Very high | 21 Ų | 21 | 83.3 Ų | 83.3 | 11% | 0.11 | 38% | 0.382 | C | S | . | . | trans | -60.6 | -41.4 | -175.8 | -68.9 | 174.2 | 0 | 0 | 0 | 112.9 | I31 K33 Y34 M38 F43 F52 | I31-L36 HydrophobicContact CG2-CD1 4.16Å; K33-L36 WeakPolarHBondContact O-CG 3.5Å; K33-L36 PolarHBondContact O-N 2.91Å; Y34-L36 PolarHBondContact O-N 2.74Å; L36-M38 VanDerWaalsContact C-N 3.28Å; L36-M38 HydrophobicContact CB-CE 3.73Å; L36-M38 HydrophobicContact CD2-CE 3.6Å; L36-M38 HydrophobicContact CG-CE 4.12Å; L36-M38 WeakPolarHBondContact O-CG 3.47Å; L36-M38 PolarHBondContact O-N 3.29Å; L36-F43 HydrophobicContact CD1-CD2 4.09Å; L36-F43 HydrophobicContact CD1-CE2 3.9Å; L36-F52 HydrophobicContact CD1-CE2 4.39Å | ||
| 37 | N | 95 | Very high | 96 | Very high | 64 Ų | 64 | 81.7 Ų | 81.7 | 34% | 0.342 | 38% | 0.376 | S | S | . | . | trans | 49.2 | 47.2 | -178.3 | -65.2 | -51.2 | 0 | 0 | 0 | 112.9 | C21 R22 I31 G35 | C21-N37 WeakPolarHBondContact CA-O 3.34Å; R22-N37 PolarHBondContact N-O 3.14Å; I31-N37 PolarHBondContact O-N 2.91Å; I31-N37 VanDerWaalsContact O-N 3.14Å; G35-N37 PolarHBondContact O-N 3.35Å; G35-N37 PolarHBondContact O-ND2 2.97Å | ||
| 38 | M | 96.4 | Very high | 96.1 | Very high | 1 Ų | 1 | 84 Ų | 84 | 1% | 0.005 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 143 | -179.7 | -76.2 | -178.3 | -77.8 | 0 | 0 | 110.8 | R22 V23 L30 I31 L36 I50 | R22-M38 HydrophobicContact CG-CG 3.75Å; R22-M38 HydrophobicContact CG-SD 4.48Å; V23-M38 HydrophobicContact CG2-CG 4.24Å; V23-M38 HydrophobicContact CG2-SD 4.22Å; L30-M38 CarbonylContact C-O 3.59Å; I31-M38 PolarHBondContact N-O 3.38Å; I31-M38 PolarHBondContact O-N 3.43Å; L36-M38 VanDerWaalsContact C-N 3.28Å; L36-M38 HydrophobicContact CB-CE 3.73Å; L36-M38 HydrophobicContact CD2-CE 3.6Å; L36-M38 HydrophobicContact CG-CE 4.12Å; L36-M38 WeakPolarHBondContact O-CG 3.47Å; L36-M38 PolarHBondContact O-N 3.29Å; M38-I50 HydrophobicContact CE-CD1 3.5Å; M38-I50 HydrophobicContact SD-CD1 4.29Å |
| 39 | C | 97.1 | Very high | 96.2 | Very high | 1 Ų | 1 | 84.5 Ų | 84.5 | 1% | 0.007 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 156.9 | 172.3 | 76.8 | 0 | 0 | 0 | 0 | 110 | C21 C24 N26 G29 L30 Q41 C42 F43 | C21-C39 HydrophobicContact CB-CB 3.94Å; C21-C39 PolarHBondContact SG-N 3.27Å; C24-C39 PolarHBondContact SG-SG 3.14Å; N26-C39 HydrophobicContact CB-CB 4.5Å; G29-C39 CarbonylContact O-C 3.54Å; G29-C39 WeakPolarHBondContact O-CA 3.46Å; L30-C39 HydrophobicContact CD2-CB 4.29Å; C39-Q41 PolarHBondContact O-N 2.99Å; C39-Q41 VanDerWaalsContact O-N 3.11Å; C39-C42 PolarHBondContact O-N 3.39Å; C39-C42 PolarHBondContact SG-N 3.06Å; C39-C42 VanDerWaalsContact SG-N 3.41Å; C39-C42 PolarHBondContact SG-SG 3.3Å; C39-F43 PolarHBondContact O-N 2.96Å |
| 40 | R | 96.8 | Very high | 96.2 | Very high | 135 Ų | 135 | 85.9 Ų | 85.9 | 51% | 0.509 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -53.7 | -32.6 | -179.3 | 69.4 | -176.4 | -177.9 | -79 | 2.3 | 114.4 | G29 R44 | G29-R40 PolarHBondContact O-N 3.27Å; R40-R44 VanDerWaalsContact O-CG 3.32Å; R40-R44 WeakPolarHBondContact O-CG 3.41Å; R40-R44 PolarHBondContact O-N 3.47Å; R40-R44 VanDerWaalsContact O-N 3.15Å |
| 41 | Q | 97.5 | Very high | 96.3 | Very high | 119 Ų | 119 | 87 Ų | 87 | 56% | 0.556 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -73 | -50.6 | 179.9 | -69.7 | 170 | -13.9 | 0 | 0 | 110.7 | C39 F43 R44 Q45 | C39-Q41 PolarHBondContact O-N 2.99Å; C39-Q41 VanDerWaalsContact O-N 3.11Å; Q41-F43 VanDerWaalsContact C-N 3.32Å; Q41-F43 PolarHBondContact O-N 3.48Å; Q41-R44 PolarHBondContact O-N 2.8Å; Q41-Q45 PolarHBondContact O-N 2.98Å; Q41-Q45 VanDerWaalsContact O-N 3.09Å |
| 42 | C | 97.3 | Very high | 96.3 | Very high | 8 Ų | 8 | 88.8 Ų | 88.8 | 5% | 0.054 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -62.2 | -40.4 | 175.4 | -64.1 | 0 | 0 | 0 | 0 | 111.5 | V23 C39 R44 Q45 Y46 | V23-C42 HydrophobicContact CB-CB 4.04Å; V23-C42 HydrophobicContact CG1-CB 4.31Å; V23-C42 HydrophobicContact CG2-CB 4.19Å; C39-C42 PolarHBondContact O-N 3.39Å; C39-C42 PolarHBondContact SG-N 3.06Å; C39-C42 VanDerWaalsContact SG-N 3.41Å; C39-C42 PolarHBondContact SG-SG 3.3Å; C42-R44 VanDerWaalsContact C-N 3.32Å; C42-R44 PolarHBondContact O-N 3.16Å; C42-Q45 PolarHBondContact O-N 3.44Å; C42-Q45 VanDerWaalsContact O-N 3.14Å; C42-Y46 HydrophobicContact CB-CD2 4.4Å; C42-Y46 VanDerWaalsContact O-CD2 3.24Å; C42-Y46 WeakPolarHBondContact O-CD2 3.39Å; C42-Y46 PolarHBondContact O-N 2.92Å |
| 43 | F | 97.2 | Very high | 96.3 | Very high | 42 Ų | 42 | 88.6 Ų | 88.6 | 18% | 0.184 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -58 | -45.3 | 174.9 | 176.9 | -99.7 | 0 | 0 | 0 | 111.6 | I31 L36 C39 Q41 Q45 Y46 A47 I50 F52 | I31-F43 HydrophobicContact CD1-CB 3.6Å; I31-F43 HydrophobicContact CD1-CD1 3.58Å; I31-F43 HydrophobicContact CD1-CD2 4.19Å; I31-F43 HydrophobicContact CD1-CE1 4.32Å; I31-F43 HydrophobicContact CD1-CG 3.5Å; I31-F43 VanDerWaalsContact CD1-CG 3.5Å; L36-F43 HydrophobicContact CD1-CD2 4.09Å; L36-F43 HydrophobicContact CD1-CE2 3.9Å; C39-F43 PolarHBondContact O-N 2.96Å; Q41-F43 VanDerWaalsContact C-N 3.32Å; Q41-F43 PolarHBondContact O-N 3.48Å; F43-Q45 VanDerWaalsContact C-N 3.27Å; F43-Q45 PolarHBondContact O-N 3.46Å; F43-Y46 PolarHBondContact O-N 3.25Å; F43-A47 HydrophobicContact CE1-CB 4.4Å; F43-A47 HydrophobicContact CZ-CB 4.42Å; F43-A47 VanDerWaalsContact O-CA 3.3Å; F43-A47 WeakPolarHBondContact O-CA 2.89Å; F43-A47 WeakPolarHBondContact O-CB 3.41Å; F43-A47 PolarHBondContact O-N 3.27Å; F43-I50 HydrophobicContact CD2-CD1 4.37Å; F43-F52 AromaticContact CE2-CD2 3.83Å; F43-F52 HydrophobicContact CE2-CD2 3.83Å; F43-F52 AromaticContact CE2-CE2 3.85Å; F43-F52 HydrophobicContact CE2-CE2 3.85Å; F43-F52 HydrophobicContact CE2-CG 4.42Å; F43-F52 HydrophobicContact CE2-CZ 4.46Å; F43-F52 HydrophobicContact CZ-CD2 4.02Å; F43-F52 HydrophobicContact CZ-CE2 4.28Å; F43-F52 HydrophobicContact CZ-CG 4.16Å |
| 44 | R | 96.7 | Very high | 96.3 | Very high | 212 Ų | 212 | 90.4 Ų | 90.4 | 80% | 0.8 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -61.6 | -35.9 | 176.7 | -75.2 | 176.5 | 66 | 131.1 | 1.8 | 112.9 | R40 Q41 C42 | R40-R44 VanDerWaalsContact O-CG 3.32Å; R40-R44 WeakPolarHBondContact O-CG 3.41Å; R40-R44 PolarHBondContact O-N 3.47Å; R40-R44 VanDerWaalsContact O-N 3.15Å; Q41-R44 PolarHBondContact O-N 2.8Å; C42-R44 VanDerWaalsContact C-N 3.32Å; C42-R44 PolarHBondContact O-N 3.16Å |
| 45 | Q | 97 | Very high | 96.2 | Very high | 136 Ų | 136 | 89.8 Ų | 89.8 | 64% | 0.636 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -69.4 | -44.2 | 177.8 | -173.5 | 170.8 | 20.8 | 0 | 0 | 112.2 | Q41 C42 F43 | Q41-Q45 PolarHBondContact O-N 2.98Å; Q41-Q45 VanDerWaalsContact O-N 3.09Å; C42-Q45 PolarHBondContact O-N 3.44Å; C42-Q45 VanDerWaalsContact O-N 3.14Å; F43-Q45 VanDerWaalsContact C-N 3.27Å; F43-Q45 PolarHBondContact O-N 3.46Å |
| 46 | Y | 96.4 | Very high | 95.9 | Very high | 90 Ų | 90 | 96.8 Ų | 96.8 | 35% | 0.353 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -98.3 | 1.9 | -174.7 | -66.5 | -74.9 | 0 | 0 | 0 | 114.1 | V23 C42 F43 K48 D49 I50 | V23-Y46 HydrophobicContact CG1-CE2 3.74Å; V23-Y46 HydrophobicContact CG2-CD2 4.41Å; V23-Y46 HydrophobicContact CG2-CE2 4.31Å; C42-Y46 HydrophobicContact CB-CD2 4.4Å; C42-Y46 VanDerWaalsContact O-CD2 3.24Å; C42-Y46 WeakPolarHBondContact O-CD2 3.39Å; C42-Y46 PolarHBondContact O-N 2.92Å; F43-Y46 PolarHBondContact O-N 3.25Å; Y46-K48 VanDerWaalsContact C-N 3.25Å; Y46-K48 PolarHBondContact O-N 3.18Å; Y46-D49 WeakPolarHBondContact CD1-OD2 3.35Å; Y46-D49 PolarHBondContact O-N 3.18Å; Y46-D49 VanDerWaalsContact O-N 3.07Å; Y46-I50 WeakPolarHBondContact O-CD1 3.27Å; Y46-I50 VanDerWaalsContact O-CG1 3.25Å; Y46-I50 WeakPolarHBondContact O-CG1 3.4Å; Y46-I50 PolarHBondContact O-N 2.97Å |
| 47 | A | 97 | Very high | 95.9 | Very high | 19 Ų | 19 | 100.6 Ų | 100.6 | 16% | 0.157 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -54.4 | -44.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | F43 I50 G51 F52 | F43-A47 HydrophobicContact CE1-CB 4.4Å; F43-A47 HydrophobicContact CZ-CB 4.42Å; F43-A47 VanDerWaalsContact O-CA 3.3Å; F43-A47 WeakPolarHBondContact O-CA 2.89Å; F43-A47 WeakPolarHBondContact O-CB 3.41Å; F43-A47 PolarHBondContact O-N 3.27Å; A47-I50 PolarHBondContact O-N 3.17Å; A47-G51 PolarHBondContact O-N 3.07Å; A47-F52 HydrophobicContact CB-CB 4.29Å; A47-F52 WeakPolarHBondContact O-CB 3.34Å; A47-F52 PolarHBondContact O-N 3.12Å |
| 48 | K | 96.4 | Very high | 95.9 | Very high | 182 Ų | 182 | 102.5 Ų | 102.5 | 79% | 0.791 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.6 | -42.4 | 178.2 | -170.1 | 178.4 | 179.3 | -177.4 | 0 | 112 | Y46 I50 G51 | Y46-K48 VanDerWaalsContact C-N 3.25Å; Y46-K48 PolarHBondContact O-N 3.18Å; K48-I50 VanDerWaalsContact C-N 3.32Å; K48-I50 PolarHBondContact O-N 2.74Å; K48-G51 PolarHBondContact O-N 3.29Å |
| 49 | D | 96.4 | Very high | 95.9 | Very high | 125 Ų | 125 | 108.2 Ų | 108.2 | 67% | 0.668 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -69.5 | -30.1 | -179.4 | -57.3 | -26.4 | 0 | 0 | 0 | 112.5 | Y46 G51 | Y46-D49 WeakPolarHBondContact CD1-OD2 3.35Å; Y46-D49 PolarHBondContact O-N 3.18Å; Y46-D49 VanDerWaalsContact O-N 3.07Å; D49-G51 PolarHBondContact O-N 3.06Å |
| 50 | I | 95.6 | Very high | 95.8 | Very high | 68 Ų | 68 | 114.5 Ų | 114.5 | 35% | 0.349 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -73.4 | -17.8 | 173.1 | -59.9 | 157.4 | 0 | 0 | 0 | 111.1 | M38 F43 Y46 A47 K48 F52 | M38-I50 HydrophobicContact CE-CD1 3.5Å; M38-I50 HydrophobicContact SD-CD1 4.29Å; F43-I50 HydrophobicContact CD2-CD1 4.37Å; Y46-I50 WeakPolarHBondContact O-CD1 3.27Å; Y46-I50 VanDerWaalsContact O-CG1 3.25Å; Y46-I50 WeakPolarHBondContact O-CG1 3.4Å; Y46-I50 PolarHBondContact O-N 2.97Å; A47-I50 PolarHBondContact O-N 3.17Å; K48-I50 VanDerWaalsContact C-N 3.32Å; K48-I50 PolarHBondContact O-N 2.74Å; I50-F52 HydrophobicContact CB-CD2 3.98Å; I50-F52 HydrophobicContact CB-CE2 4.39Å; I50-F52 HydrophobicContact CG2-CD2 3.63Å; I50-F52 HydrophobicContact CG2-CE2 3.57Å |
| 51 | G | 96.7 | Very high | 95.8 | Very high | 55 Ų | 55 | 113.2 Ų | 113.2 | 57% | 0.567 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 94.4 | 11.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | A47 K48 D49 I53 | A47-G51 PolarHBondContact O-N 3.07Å; K48-G51 PolarHBondContact O-N 3.29Å; D49-G51 PolarHBondContact O-N 3.06Å; G51-I53 PolarHBondContact O-N 3.24Å |
| 52 | F | 96.2 | Very high | 95.7 | Very high | 89 Ų | 89 | 112.8 Ų | 112.8 | 39% | 0.39 | 55% | 0.553 | S | S | . | * | trans | -73.8 | 126.6 | 169.7 | -75.4 | -83.7 | 0 | 0 | 0 | 110.1 | L36 F43 A47 I50 | L36-F52 HydrophobicContact CD1-CE2 4.39Å; F43-F52 AromaticContact CE2-CD2 3.83Å; F43-F52 HydrophobicContact CE2-CD2 3.83Å; F43-F52 AromaticContact CE2-CE2 3.85Å; F43-F52 HydrophobicContact CE2-CE2 3.85Å; F43-F52 HydrophobicContact CE2-CG 4.42Å; F43-F52 HydrophobicContact CE2-CZ 4.46Å; F43-F52 HydrophobicContact CZ-CD2 4.02Å; F43-F52 HydrophobicContact CZ-CE2 4.28Å; F43-F52 HydrophobicContact CZ-CG 4.16Å; A47-F52 HydrophobicContact CB-CB 4.29Å; A47-F52 WeakPolarHBondContact O-CB 3.34Å; A47-F52 PolarHBondContact O-N 3.12Å; I50-F52 HydrophobicContact CB-CD2 3.98Å; I50-F52 HydrophobicContact CB-CE2 4.39Å; I50-F52 HydrophobicContact CG2-CD2 3.63Å; I50-F52 HydrophobicContact CG2-CE2 3.57Å | ||
| 53 | I | 96.2 | Very high | 95.6 | Very high | 140 Ų | 140 | 120.3 Ų | 120.3 | 72% | 0.718 | 59% | 0.588 | S | S | * | * | trans | -112.5 | 134.9 | 175.2 | -57.2 | 171.1 | 0 | 0 | 0 | 107.5 | G51 L55 | G51-I53 PolarHBondContact O-N 3.24Å; I53-L55 HydrophobicContact CG2-CD2 4.17Å; I53-L55 PolarHBondContact O-N 2.97Å | ||
| 54 | K | 95.1 | Very high | 95.4 | Very high | 171 Ų | 171 | 126.3 Ų | 126.3 | 74% | 0.743 | 62% | 0.62 | S | S | * | * | trans | -77 | 114.6 | 171.2 | -167.5 | -174.3 | -174.8 | -124.7 | 0 | 108.1 | D56 | K54-D56 WeakPolarHBondContact CE-OXT 3.27Å; K54-D56 PolarHBondContact NZ-OXT 2.98Å | ||
| 55 | L | 94 | Very high | 95.3 | Very high | 156 Ų | 156 | 119.2 Ų | 119.2 | 82% | 0.817 | 60% | 0.604 | S | S | * | * | trans | -99.5 | 104.5 | 170.9 | -58.1 | 176.6 | 0 | 0 | 0 | 106.2 | I53 | I53-L55 HydrophobicContact CG2-CD2 4.17Å; I53-L55 PolarHBondContact O-N 2.97Å | ||
| 56 | D | 86.7 | Confident | 95.2 | Very high | 199 Ų | 199 | 117.6 Ų | 117.6 | 100% | 1.064 | 60% | 0.602 | S | S | * | * | trans | 59.8 | 0 | -173.7 | -149.8 | -110.8 | 0 | 0 | 0 | 117 | K54 | K54-D56 WeakPolarHBondContact CE-OXT 3.27Å; K54-D56 PolarHBondContact NZ-OXT 2.98Å |
Retrieved 56 of 56 residues in 44.1 ms
(Link to these results)