| 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 | 40.7 | Very low | 48.3 | Very low | 228 Ų | 228 | 128.5 Ų | 128.5 | 100% | 1.123 | 65% | 0.646 | S | S | * | * | 0 | 126.7 | 0 | -63.2 | -165 | -168.3 | 0 | 0 | 108.3 | |||||
| 2 | R | 49.4 | Very low | 48.5 | Very low | 249 Ų | 249 | 122.7 Ų | 122.7 | 94% | 0.94 | 63% | 0.633 | S | S | * | * | trans | -109.5 | 114.1 | -175 | -164.6 | 177 | -167 | -153.4 | 3.1 | 109.2 | ||||
| 3 | W | 46.4 | Very low | 49.2 | Very low | 91 Ų | 91 | 119.8 Ų | 119.8 | 35% | 0.345 | 62% | 0.624 | S | S | . | * | trans | -73.6 | 130 | 173.1 | -63.7 | 104.1 | 0 | 0 | 0 | 109.6 | P44 | W3-P44 HydrophobicContact CH2-CB 3.63Å; W3-P44 VanDerWaalsContact CH2-CD 3.47Å; W3-P44 HydrophobicContact CH2-CG 3.33Å; W3-P44 HydrophobicContact CZ2-CB 3.99Å; W3-P44 HydrophobicContact CZ2-CG 4.12Å; W3-P44 HydrophobicContact CZ3-CB 4.46Å; W3-P44 HydrophobicContact CZ3-CG 3.7Å | ||
| 4 | M | 47 | Very low | 49.5 | Very low | 135 Ų | 135 | 124.6 Ų | 124.6 | 67% | 0.665 | 63% | 0.63 | S | S | * | * | trans | -104.5 | 103.1 | 171.2 | -168.1 | 169.2 | 72.1 | 0 | 0 | 108.5 | K6 | M4-K6 PolarHBondContact O-N 2.67Š| ||
| 5 | E | 51.7 | Low | 50.4 | Low | 117 Ų | 117 | 118.5 Ų | 118.5 | 55% | 0.547 | 60% | 0.602 | S | S | . | * | B | Isolated β-bridge | trans | -84.1 | 104.8 | 170.7 | -169.9 | -179 | 162.5 | 0 | 0 | 108 | Q7 Y28 | E5-Q7 PolarHBondContact OE1-NE2 3.21Å; E5-Y28 HydrophobicContact CB-CE1 4.32Å; E5-Y28 HydrophobicContact CG-CE1 4.32Å |
| 6 | K | 52.1 | Low | 51 | Low | 119 Ų | 119 | 120.1 Ų | 120.1 | 52% | 0.517 | 62% | 0.622 | S | S | . | * | trans | -109.7 | 104 | 175.5 | -160.8 | -179 | -174.1 | -149.1 | 0 | 108.7 | M4 L8 | M4-K6 PolarHBondContact O-N 2.67Å; K6-L8 VanDerWaalsContact C-N 3.3Å; K6-L8 HydrophobicContact CD-CD2 3.72Å; K6-L8 HydrophobicContact CD-CG 4.2Å; K6-L8 HydrophobicContact CG-CD2 4.21Å; K6-L8 HydrophobicContact CG-CG 4.29Å; K6-L8 VanDerWaalsContact NZ-CD2 3.31Å; K6-L8 PolarHBondContact O-N 3.33Å | ||
| 7 | Q | 47.8 | Very low | 52.1 | Low | 111 Ų | 111 | 123.8 Ų | 123.8 | 52% | 0.519 | 63% | 0.632 | S | S | . | * | trans | -69.8 | 92.8 | 163.8 | -60.3 | -68 | -25.4 | 0 | 0 | 106.6 | E5 G9 | E5-Q7 PolarHBondContact OE1-NE2 3.21Å; Q7-G9 VanDerWaalsContact C-N 3.32Å; Q7-G9 PolarHBondContact O-N 2.91Å | ||
| 8 | L | 54.1 | Low | 52.6 | Low | 77 Ų | 77 | 119 Ų | 119 | 40% | 0.403 | 62% | 0.619 | S | S | . | * | trans | -69.4 | 94.1 | 175.4 | -77.1 | 168.3 | 0 | 0 | 0 | 108.2 | K6 A10 W24 | K6-L8 VanDerWaalsContact C-N 3.3Å; K6-L8 HydrophobicContact CD-CD2 3.72Å; K6-L8 HydrophobicContact CD-CG 4.2Å; K6-L8 HydrophobicContact CG-CD2 4.21Å; K6-L8 HydrophobicContact CG-CG 4.29Å; K6-L8 VanDerWaalsContact NZ-CD2 3.31Å; K6-L8 PolarHBondContact O-N 3.33Å; L8-A10 PolarHBondContact O-N 3.41Å; L8-W24 HydrophobicContact CB-CE3 4.44Å; L8-W24 HydrophobicContact CB-CZ3 4.37Å; L8-W24 VanDerWaalsContact O-CE3 3.24Å | ||
| 9 | G | 48.8 | Very low | 52.9 | Low | 62 Ų | 62 | 119.7 Ų | 119.7 | 64% | 0.639 | 62% | 0.618 | S | S | * | * | trans | -67 | 119.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111 | Q7 L11 | Q7-G9 VanDerWaalsContact C-N 3.32Å; Q7-G9 PolarHBondContact O-N 2.91Å; G9-L11 PolarHBondContact O-N 3.17Å; G9-L11 VanDerWaalsContact O-N 3.15Å | ||
| 10 | A | 45.8 | Very low | 53.1 | Low | 78 Ų | 78 | 121.4 Ų | 121.4 | 65% | 0.645 | 62% | 0.618 | S | S | * | * | trans | 53 | 39.5 | 146.3 | 0 | 0 | 0 | 0 | 0 | 119.1 | L8 | L8-A10 PolarHBondContact O-N 3.41Š| ||
| 11 | L | 47.2 | Very low | 53.5 | Low | 146 Ų | 146 | 119.5 Ų | 119.5 | 76% | 0.764 | 61% | 0.608 | S | S | * | * | trans | -96 | 85 | 154.5 | -73.9 | 174.5 | 0 | 0 | 0 | 108.5 | G9 V13 W24 | G9-L11 PolarHBondContact O-N 3.17Å; G9-L11 VanDerWaalsContact O-N 3.15Å; L11-V13 PolarHBondContact O-N 3.38Å; L11-W24 WeakPolarHBondContact O-CH2 3.29Å; L11-W24 VanDerWaalsContact O-CZ2 3.29Å; L11-W24 WeakPolarHBondContact O-CZ2 3.05Å | ||
| 12 | A | 51.1 | Low | 54.4 | Low | 59 Ų | 59 | 117.6 Ų | 117.6 | 49% | 0.488 | 59% | 0.594 | S | S | . | * | trans | -36.6 | 96.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113 | R14 Y20 | A12-R14 PolarHBondContact O-N 3.41Å; A12-R14 VanDerWaalsContact O-N 3.11Å; A12-Y20 HydrophobicContact CB-CD1 3.62Å; A12-Y20 HydrophobicContact CB-CE1 3.95Å | ||
| 13 | V | 57.5 | Low | 54.7 | Low | 86 Ų | 86 | 111.4 Ų | 111.4 | 52% | 0.521 | 58% | 0.579 | S | S | . | * | trans | -72.8 | 107.4 | 168.1 | 178.6 | 0 | 0 | 0 | 0 | 106.1 | L11 T15 W24 | L11-V13 PolarHBondContact O-N 3.38Å; V13-T15 PolarHBondContact O-N 2.93Å; V13-W24 HydrophobicContact CG2-CH2 4.18Å | ||
| 14 | R | 53.7 | Low | 55.6 | Low | 187 Ų | 187 | 111.6 Ų | 111.6 | 71% | 0.706 | 58% | 0.58 | S | S | * | * | B | Isolated β-bridge | trans | -70.4 | 116.6 | 175.7 | 176 | 174.3 | 155.6 | -170.1 | -5.7 | 108.3 | A12 | A12-R14 PolarHBondContact O-N 3.41Å; A12-R14 VanDerWaalsContact O-N 3.11Å |
| 15 | T | 62.8 | Low | 56.5 | Low | 33 Ų | 33 | 113.8 Ų | 113.8 | 20% | 0.202 | 58% | 0.581 | C | S | . | * | trans | -66.1 | 158.6 | 170.3 | 62 | 0 | 0 | 0 | 0 | 109.9 | V13 K17 G18 E19 I21 | V13-T15 PolarHBondContact O-N 2.93Å; T15-K17 PolarHBondContact O-N 3.25Å; T15-G18 PolarHBondContact O-N 2.79Å; T15-E19 WeakPolarHBondContact CG2-O 3.31Å; T15-E19 PolarHBondContact N-O 2.93Å; T15-E19 PolarHBondContact OG1-N 3.02Å; T15-E19 VanDerWaalsContact OG1-N 3.07Å; T15-E19 PolarHBondContact OG1-O 2.93Å; T15-I21 HydrophobicContact CG2-CD1 3.98Å; T15-I21 HydrophobicContact CG2-CG1 3.8Å | ||
| 16 | P | 60.5 | Low | 57.3 | Low | 143 Ų | 143 | 111.2 Ų | 111.2 | 93% | 0.929 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.3 | -22.4 | 174.4 | -26.4 | 34.9 | 0 | 0 | 0 | 113.8 | ||
| 17 | K | 68.5 | Low | 58.4 | Low | 184 Ų | 184 | 112.2 Ų | 112.2 | 80% | 0.8 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | 1.1 | 177.1 | -66.9 | -176.3 | 177.2 | 177 | 0 | 114.4 | T15 E19 | T15-K17 PolarHBondContact O-N 3.25Å; K17-E19 PolarHBondContact O-N 2.84Å |
| 18 | G | 62.2 | Low | 59.6 | Low | 37 Ų | 37 | 108.7 Ų | 108.7 | 38% | 0.381 | 56% | 0.557 | S | S | . | * | S | Bend | trans | 77.5 | 3.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | T15 | T15-G18 PolarHBondContact O-N 2.79Š|
| 19 | E | 57.5 | Low | 60.5 | Low | 132 Ų | 132 | 108.1 Ų | 108.1 | 62% | 0.617 | 55% | 0.551 | S | S | * | * | trans | -76.6 | 129 | 173.9 | -66.7 | 175.4 | -173.1 | 0 | 0 | 110 | T15 K17 | T15-E19 WeakPolarHBondContact CG2-O 3.31Å; T15-E19 PolarHBondContact N-O 2.93Å; T15-E19 PolarHBondContact OG1-N 3.02Å; T15-E19 VanDerWaalsContact OG1-N 3.07Å; T15-E19 PolarHBondContact OG1-O 2.93Å; K17-E19 PolarHBondContact O-N 2.84Å | ||
| 20 | Y | 56.5 | Low | 61.7 | Low | 153 Ų | 153 | 108 Ų | 108 | 60% | 0.6 | 54% | 0.536 | S | S | * | . | B | Isolated β-bridge | trans | -78.2 | 120.6 | 170.3 | -66 | -76.2 | 0 | 0 | 0 | 109.2 | A12 K22 | A12-Y20 HydrophobicContact CB-CD1 3.62Å; A12-Y20 HydrophobicContact CB-CE1 3.95Å; Y20-K22 PolarHBondContact O-N 2.73Å |
| 21 | I | 63.3 | Low | 63.3 | Low | 82 Ų | 82 | 110.4 Ų | 110.4 | 42% | 0.421 | 54% | 0.537 | S | S | . | . | trans | -68.4 | 98.6 | 171.5 | -57.5 | 175.5 | 0 | 0 | 0 | 107.7 | T15 N23 | T15-I21 HydrophobicContact CG2-CD1 3.98Å; T15-I21 HydrophobicContact CG2-CG1 3.8Å; I21-N23 VanDerWaalsContact C-N 3.35Å | ||
| 22 | K | 58 | Low | 64.7 | Low | 189 Ų | 189 | 107.9 Ų | 107.9 | 82% | 0.822 | 52% | 0.52 | S | S | * | . | trans | -77.3 | -24.7 | 176.8 | -64.3 | -178.2 | -178.4 | 179.7 | 0 | 112.3 | Y20 W24 | Y20-K22 PolarHBondContact O-N 2.73Å; K22-W24 PolarHBondContact O-N 2.9Å | ||
| 23 | N | 55.4 | Low | 66 | Low | 118 Ų | 118 | 112.7 Ų | 112.7 | 63% | 0.631 | 54% | 0.543 | S | S | * | . | trans | -94.7 | 85.4 | -177.9 | -129.6 | 89.2 | 0 | 0 | 0 | 110.2 | I21 R25 | I21-N23 VanDerWaalsContact C-N 3.35Å; N23-R25 PolarHBondContact O-N 2.98Å | ||
| 24 | W | 65.6 | Low | 67 | Low | 95 Ų | 95 | 113.8 Ų | 113.8 | 36% | 0.36 | 55% | 0.546 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 120.9 | 167.2 | -67.8 | 96.6 | 0 | 0 | 0 | 108.5 | L8 L11 V13 K22 | L8-W24 HydrophobicContact CB-CE3 4.44Å; L8-W24 HydrophobicContact CB-CZ3 4.37Å; L8-W24 VanDerWaalsContact O-CE3 3.24Å; L11-W24 WeakPolarHBondContact O-CH2 3.29Å; L11-W24 VanDerWaalsContact O-CZ2 3.29Å; L11-W24 WeakPolarHBondContact O-CZ2 3.05Å; V13-W24 HydrophobicContact CG2-CH2 4.18Å; K22-W24 PolarHBondContact O-N 2.9Å |
| 25 | R | 66.8 | Low | 68.1 | Low | 182 Ų | 182 | 107.6 Ų | 107.6 | 69% | 0.687 | 54% | 0.541 | S | S | * | . | P | Polyproline II helix | trans | -103.2 | 130.9 | 174.3 | -63 | -173.3 | -176.7 | -154.8 | 1.1 | 107.8 | N23 R27 | N23-R25 PolarHBondContact O-N 2.98Å; R25-R27 PolarHBondContact O-N 2.91Å |
| 26 | P | 67.8 | Low | 68.7 | Low | 63 Ų | 63 | 108.2 Ų | 108.2 | 41% | 0.409 | 55% | 0.546 | S | S | . | . | P | Polyproline II helix | trans | -56.7 | 137.4 | 173.9 | 23.3 | -31.7 | 0 | 0 | 0 | 109.8 | ||
| 27 | R | 75 | Confident | 69.4 | Low | 140 Ų | 140 | 106.7 Ų | 106.7 | 53% | 0.528 | 53% | 0.525 | S | S | . | . | trans | -136.9 | 137.2 | 174.3 | -70.3 | 177.5 | -176.2 | 154.6 | -0.1 | 108.1 | R25 F29 Y40 | R25-R27 PolarHBondContact O-N 2.91Å; R27-F29 HydrophobicContact CB-CD2 4.47Å; R27-F29 HydrophobicContact CB-CE2 3.71Å; R27-F29 HydrophobicContact CB-CZ 3.87Å; R27-F29 WeakPolarHBondContact O-CD2 3.39Å; R27-Y40 CarbonylContact C-O 3.53Å; R27-Y40 WeakPolarHBondContact CA-O 3.47Å | ||
| 28 | Y | 72.7 | Confident | 69.8 | Low | 37 Ų | 37 | 98.9 Ų | 98.9 | 15% | 0.145 | 49% | 0.492 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 132.3 | 176.3 | -65.2 | -91.3 | 0 | 0 | 0 | 108.5 | E5 G39 Y40 E42 K43 | E5-Y28 HydrophobicContact CB-CE1 4.32Å; E5-Y28 HydrophobicContact CG-CE1 4.32Å; Y28-G39 CarbonylContact O-C 3.55Å; Y28-G39 WeakPolarHBondContact O-CA 3.26Å; Y28-Y40 PolarHBondContact N-O 3.5Å; Y28-Y40 PolarHBondContact O-N 3.41Å; Y28-E42 VanDerWaalsContact CD2-C 3.42Å; Y28-K43 HydrophobicContact CD1-CB 4.38Å; Y28-K43 HydrophobicContact CD1-CG 4.24Å; Y28-K43 HydrophobicContact CD2-CB 4.16Å; Y28-K43 VanDerWaalsContact CD2-N 3.32Å; Y28-K43 HydrophobicContact CE1-CB 3.95Å; Y28-K43 HydrophobicContact CE1-CD 4.16Å; Y28-K43 HydrophobicContact CE1-CG 3.9Å; Y28-K43 HydrophobicContact CE2-CB 3.72Å; Y28-K43 VanDerWaalsContact CE2-N 3.26Å; Y28-K43 HydrophobicContact CG-CB 4.46Å |
| 29 | F | 74 | Confident | 70.5 | Confident | 65 Ų | 65 | 98.5 Ų | 98.5 | 29% | 0.285 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 135.8 | 179.9 | -64.9 | -87.7 | 0 | 0 | 0 | 110.4 | R27 F37 I38 | R27-F29 HydrophobicContact CB-CD2 4.47Å; R27-F29 HydrophobicContact CB-CE2 3.71Å; R27-F29 HydrophobicContact CB-CZ 3.87Å; R27-F29 WeakPolarHBondContact O-CD2 3.39Å; F29-F37 HydrophobicContact CB-CE1 4.48Å; F29-F37 HydrophobicContact CB-CE2 3.73Å; F29-F37 HydrophobicContact CB-CZ 3.63Å; F29-F37 HydrophobicContact CD1-CD1 4.22Å; F29-F37 AromaticContact CD1-CE1 3.37Å; F29-F37 HydrophobicContact CD1-CE1 3.37Å; F29-F37 HydrophobicContact CD1-CE2 4.17Å; F29-F37 AromaticContact CD1-CZ 3.34Å; F29-F37 HydrophobicContact CD1-CZ 3.34Å; F29-F37 HydrophobicContact CD2-CZ 4.5Å; F29-F37 AromaticContact CE1-CE1 3.79Å; F29-F37 HydrophobicContact CE1-CE1 3.79Å; F29-F37 HydrophobicContact CE1-CZ 4.09Å; F29-F37 HydrophobicContact CG-CE1 4.11Å; F29-F37 HydrophobicContact CG-CE2 4.21Å; F29-F37 AromaticContact CG-CZ 3.58Å; F29-F37 HydrophobicContact CG-CZ 3.58Å; F29-I38 CarbonylContact C-O 3.59Å; F29-I38 VanDerWaalsContact CA-O 3.31Å; F29-I38 WeakPolarHBondContact CA-O 2.92Å |
| 30 | L | 74.8 | Confident | 71 | Confident | 59 Ų | 59 | 94 Ų | 94 | 31% | 0.309 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 119.4 | 171.6 | -175.2 | 71.6 | 0 | 0 | 0 | 108.3 | K32 I38 Y40 | L30-K32 HydrophobicContact CD2-CG 4.05Å; L30-K32 HydrophobicContact CG-CG 4.29Å; L30-I38 PolarHBondContact N-O 3.31Å; L30-I38 PolarHBondContact O-N 3.43Å; L30-Y40 HydrophobicContact CB-CE2 3.89Å |
| 31 | L | 78.4 | Confident | 71.6 | Confident | 128 Ų | 128 | 93.7 Ų | 93.7 | 67% | 0.67 | 47% | 0.467 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97 | 118.5 | 167.6 | -177.5 | 65.6 | 0 | 0 | 0 | 107.9 | F37 | L31-F37 HydrophobicContact CB-CD2 4.28Å; L31-F37 HydrophobicContact CD1-CB 4.45Å; L31-F37 HydrophobicContact CD1-CD2 4.05Å |
| 32 | K | 77.8 | Confident | 71.7 | Confident | 93 Ų | 93 | 96.8 Ų | 96.8 | 40% | 0.404 | 48% | 0.48 | S | S | . | . | trans | -92.9 | 162.2 | 176.5 | -67 | -176.1 | -175.5 | 178 | 0 | 110.3 | L30 D34 G35 S36 I38 | L30-K32 HydrophobicContact CD2-CG 4.05Å; L30-K32 HydrophobicContact CG-CG 4.29Å; K32-D34 VanDerWaalsContact C-N 3.25Å; K32-D34 WeakPolarHBondContact CB-OD1 3.42Å; K32-D34 PolarHBondContact O-N 3.15Å; K32-G35 PolarHBondContact O-N 3.36Å; K32-S36 PolarHBondContact N-O 2.95Å; K32-I38 HydrophobicContact CD-CD1 4.38Å | ||
| 33 | T | 77.6 | Confident | 71.9 | Confident | 160 Ų | 160 | 92.8 Ų | 92.8 | 98% | 0.982 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -20.7 | -177.5 | 51 | 0 | 0 | 0 | 0 | 113.7 | G35 | T33-G35 PolarHBondContact O-N 3.5Š|
| 34 | D | 78.7 | Confident | 72.1 | Confident | 110 Ų | 110 | 88 Ų | 88 | 59% | 0.588 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -0.3 | 173.2 | 64.6 | -17.1 | 0 | 0 | 0 | 113 | K32 S36 | K32-D34 VanDerWaalsContact C-N 3.25Å; K32-D34 WeakPolarHBondContact CB-OD1 3.42Å; K32-D34 PolarHBondContact O-N 3.15Å; D34-S36 VanDerWaalsContact CG-OG 3.25Å; D34-S36 VanDerWaalsContact OD1-CB 3.26Å; D34-S36 WeakPolarHBondContact OD1-CB 3.45Å; D34-S36 PolarHBondContact OD1-N 3.38Å; D34-S36 PolarHBondContact OD1-OG 2.83Å; D34-S36 PolarHBondContact OD2-OG 3.11Å |
| 35 | G | 77.1 | Confident | 71.6 | Confident | 57 Ų | 57 | 91.9 Ų | 91.9 | 59% | 0.588 | 46% | 0.46 | S | S | * | . | S | Bend | trans | 88 | -1.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | K32 T33 F37 | K32-G35 PolarHBondContact O-N 3.36Å; T33-G35 PolarHBondContact O-N 3.5Å; G35-F37 PolarHBondContact O-N 3.26Å |
| 36 | S | 74 | Confident | 71 | Confident | 45 Ų | 45 | 91 Ų | 91 | 32% | 0.315 | 47% | 0.469 | S | S | . | . | trans | -68.2 | 132.2 | 177.4 | -64.6 | 0 | 0 | 0 | 0 | 111.5 | K32 D34 | K32-S36 PolarHBondContact N-O 2.95Å; D34-S36 VanDerWaalsContact CG-OG 3.25Å; D34-S36 VanDerWaalsContact OD1-CB 3.26Å; D34-S36 WeakPolarHBondContact OD1-CB 3.45Å; D34-S36 PolarHBondContact OD1-N 3.38Å; D34-S36 PolarHBondContact OD1-OG 2.83Å; D34-S36 PolarHBondContact OD2-OG 3.11Å | ||
| 37 | F | 76.8 | Confident | 70.1 | Confident | 111 Ų | 111 | 93.9 Ų | 93.9 | 49% | 0.487 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 104.3 | 179.2 | -171.3 | -112.2 | 0 | 0 | 0 | 111.1 | F29 L31 G35 | F29-F37 HydrophobicContact CB-CE1 4.48Å; F29-F37 HydrophobicContact CB-CE2 3.73Å; F29-F37 HydrophobicContact CB-CZ 3.63Å; F29-F37 HydrophobicContact CD1-CD1 4.22Å; F29-F37 AromaticContact CD1-CE1 3.37Å; F29-F37 HydrophobicContact CD1-CE1 3.37Å; F29-F37 HydrophobicContact CD1-CE2 4.17Å; F29-F37 AromaticContact CD1-CZ 3.34Å; F29-F37 HydrophobicContact CD1-CZ 3.34Å; F29-F37 HydrophobicContact CD2-CZ 4.5Å; F29-F37 AromaticContact CE1-CE1 3.79Å; F29-F37 HydrophobicContact CE1-CE1 3.79Å; F29-F37 HydrophobicContact CE1-CZ 4.09Å; F29-F37 HydrophobicContact CG-CE1 4.11Å; F29-F37 HydrophobicContact CG-CE2 4.21Å; F29-F37 AromaticContact CG-CZ 3.58Å; F29-F37 HydrophobicContact CG-CZ 3.58Å; L31-F37 HydrophobicContact CB-CD2 4.28Å; L31-F37 HydrophobicContact CD1-CB 4.45Å; L31-F37 HydrophobicContact CD1-CD2 4.05Å; G35-F37 PolarHBondContact O-N 3.26Å |
| 38 | I | 75.8 | Confident | 69 | Low | 21 Ų | 21 | 93.8 Ų | 93.8 | 11% | 0.108 | 50% | 0.495 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 130.3 | -171.6 | -53 | -179.9 | 0 | 0 | 0 | 110.3 | F29 L30 K32 Y40 | F29-I38 CarbonylContact C-O 3.59Å; F29-I38 VanDerWaalsContact CA-O 3.31Å; F29-I38 WeakPolarHBondContact CA-O 2.92Å; L30-I38 PolarHBondContact N-O 3.31Å; L30-I38 PolarHBondContact O-N 3.43Å; K32-I38 HydrophobicContact CD-CD1 4.38Å; I38-Y40 HydrophobicContact CB-CE2 4.08Å; I38-Y40 HydrophobicContact CG2-CD2 4.33Å; I38-Y40 HydrophobicContact CG2-CE1 4.3Å; I38-Y40 HydrophobicContact CG2-CE2 3.67Å |
| 39 | G | 77.3 | Confident | 68.1 | Low | 28 Ų | 28 | 97.5 Ų | 97.5 | 29% | 0.289 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 125.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y28 | Y28-G39 CarbonylContact O-C 3.55Å; Y28-G39 WeakPolarHBondContact O-CA 3.26Å |
| 40 | Y | 68.6 | Low | 67 | Low | 39 Ų | 39 | 98.6 Ų | 98.6 | 15% | 0.153 | 53% | 0.531 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 139.8 | 175.7 | -59.3 | -90 | 0 | 0 | 0 | 110.4 | R27 Y28 L30 I38 E42 P44 L49 | R27-Y40 CarbonylContact C-O 3.53Å; R27-Y40 WeakPolarHBondContact CA-O 3.47Å; Y28-Y40 PolarHBondContact N-O 3.5Å; Y28-Y40 PolarHBondContact O-N 3.41Å; L30-Y40 HydrophobicContact CB-CE2 3.89Å; I38-Y40 HydrophobicContact CB-CE2 4.08Å; I38-Y40 HydrophobicContact CG2-CD2 4.33Å; I38-Y40 HydrophobicContact CG2-CE1 4.3Å; I38-Y40 HydrophobicContact CG2-CE2 3.67Å; Y40-E42 WeakPolarHBondContact CB-O 3.36Å; Y40-P44 HydrophobicContact CD1-CG 4.18Å; Y40-P44 HydrophobicContact CD2-CG 4.25Å; Y40-P44 HydrophobicContact CG-CG 4.01Å; Y40-L49 HydrophobicContact CD1-CD2 4.47Å; Y40-L49 HydrophobicContact CE1-CD2 3.78Å |
| 41 | K | 68.2 | Low | 65.9 | Low | 145 Ų | 145 | 106 Ų | 106 | 63% | 0.63 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -72.5 | -32.5 | 176.3 | -75.8 | -179.7 | 174.4 | 172.5 | 0 | 112.3 | L53 | K41-L53 HydrophobicContact CD-CD2 4.11Å; K41-L53 VanDerWaalsContact CE-CD2 3.5Å |
| 42 | E | 65.6 | Low | 64.4 | Low | 148 Ų | 148 | 104.5 Ų | 104.5 | 69% | 0.692 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -124.2 | 158.4 | -178 | -66.6 | 179.4 | 163.5 | 0 | 0 | 109 | Y28 Y40 P44 | Y28-E42 VanDerWaalsContact CD2-C 3.42Å; Y40-E42 WeakPolarHBondContact CB-O 3.36Å; E42-P44 VanDerWaalsContact O-CD 3.29Å; E42-P44 WeakPolarHBondContact O-CD 3.43Å |
| 43 | K | 62.6 | Low | 63.5 | Low | 104 Ų | 104 | 105.5 Ų | 105.5 | 45% | 0.452 | 56% | 0.563 | S | S | . | * | trans | -64.9 | 123.3 | 174.2 | -167.1 | 174.7 | -177.6 | 172.6 | 0 | 106.6 | Y28 Q45 | Y28-K43 HydrophobicContact CD1-CB 4.38Å; Y28-K43 HydrophobicContact CD1-CG 4.24Å; Y28-K43 HydrophobicContact CD2-CB 4.16Å; Y28-K43 VanDerWaalsContact CD2-N 3.32Å; Y28-K43 HydrophobicContact CE1-CB 3.95Å; Y28-K43 HydrophobicContact CE1-CD 4.16Å; Y28-K43 HydrophobicContact CE1-CG 3.9Å; Y28-K43 HydrophobicContact CE2-CB 3.72Å; Y28-K43 VanDerWaalsContact CE2-N 3.26Å; Y28-K43 HydrophobicContact CG-CB 4.46Å; K43-Q45 PolarHBondContact O-N 3.27Å | ||
| 44 | P | 59.2 | Low | 62.5 | Low | 17 Ų | 17 | 102 Ų | 102 | 11% | 0.11 | 54% | 0.538 | C | S | . | . | trans | -58.1 | 110.3 | 174.4 | -25.9 | 38 | 0 | 0 | 0 | 108.6 | W3 Y40 E42 D46 L49 | W3-P44 HydrophobicContact CH2-CB 3.63Å; W3-P44 VanDerWaalsContact CH2-CD 3.47Å; W3-P44 HydrophobicContact CH2-CG 3.33Å; W3-P44 HydrophobicContact CZ2-CB 3.99Å; W3-P44 HydrophobicContact CZ2-CG 4.12Å; W3-P44 HydrophobicContact CZ3-CB 4.46Å; W3-P44 HydrophobicContact CZ3-CG 3.7Å; Y40-P44 HydrophobicContact CD1-CG 4.18Å; Y40-P44 HydrophobicContact CD2-CG 4.25Å; Y40-P44 HydrophobicContact CG-CG 4.01Å; E42-P44 VanDerWaalsContact O-CD 3.29Å; E42-P44 WeakPolarHBondContact O-CD 3.43Å; P44-D46 VanDerWaalsContact C-N 3.32Å; P44-D46 PolarHBondContact O-N 2.92Å; P44-L49 HydrophobicContact CB-CD2 3.78Å; P44-L49 HydrophobicContact CG-CD2 4.15Å | ||
| 45 | Q | 55.8 | Low | 60.9 | Low | 178 Ų | 178 | 103.7 Ų | 103.7 | 83% | 0.832 | 55% | 0.547 | S | S | * | . | trans | -92.7 | 75.9 | -177.7 | -157.7 | 135 | 18.2 | 0 | 0 | 107.5 | K43 V47 | K43-Q45 PolarHBondContact O-N 3.27Å; Q45-V47 PolarHBondContact O-N 2.91Å | ||
| 46 | D | 54.3 | Low | 59.7 | Low | 164 Ų | 164 | 108.1 Ų | 108.1 | 88% | 0.877 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 40.4 | -14.5 | 171.8 | -90.5 | -38.4 | 0 | 0 | 0 | 121.8 | P44 | P44-D46 VanDerWaalsContact C-N 3.32Å; P44-D46 PolarHBondContact O-N 2.92Å |
| 47 | V | 48.1 | Very low | 58.3 | Low | 123 Ų | 123 | 111.2 Ų | 111.2 | 75% | 0.745 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.4 | -29.2 | -168.3 | 178.3 | 0 | 0 | 0 | 0 | 114.9 | Q45 | Q45-V47 PolarHBondContact O-N 2.91Š|
| 48 | D | 51.8 | Low | 56.6 | Low | 138 Ų | 138 | 112.9 Ų | 112.9 | 74% | 0.738 | 59% | 0.591 | S | S | * | * | trans | -127.9 | 91.2 | 177.9 | -81 | -57.6 | 0 | 0 | 0 | 109.6 | P50 | D48-P50 WeakPolarHBondContact O-CD 3.29Š| ||
| 49 | L | 54.1 | Low | 55.1 | Low | 114 Ų | 114 | 119.8 Ų | 119.8 | 60% | 0.597 | 65% | 0.651 | S | S | * | * | trans | -69.7 | 104.1 | 167.1 | -77.8 | 164.2 | 0 | 0 | 0 | 107.5 | Y40 P44 Y51 | Y40-L49 HydrophobicContact CD1-CD2 4.47Å; Y40-L49 HydrophobicContact CE1-CD2 3.78Å; P44-L49 HydrophobicContact CB-CD2 3.78Å; P44-L49 HydrophobicContact CG-CD2 4.15Å; L49-Y51 PolarHBondContact O-N 3Å | ||
| 50 | P | 51.5 | Low | 54 | Low | 89 Ų | 89 | 124.4 Ų | 124.4 | 58% | 0.578 | 67% | 0.669 | S | S | * | * | trans | -67.1 | 133.7 | 175.4 | -8 | 27.1 | 0 | 0 | 0 | 106.6 | D48 | D48-P50 WeakPolarHBondContact O-CD 3.29Š| ||
| 51 | Y | 50.2 | Low | 53.2 | Low | 215 Ų | 215 | 128.8 Ų | 128.8 | 84% | 0.843 | 70% | 0.696 | S | S | * | * | trans | -30 | 136.7 | -178.8 | -82.7 | -99.8 | 0 | 0 | 0 | 114.1 | L49 L53 | L49-Y51 PolarHBondContact O-N 3Å; Y51-L53 PolarHBondContact O-N 2.9Å | ||
| 52 | P | 48.6 | Very low | 52.4 | Low | 95 Ų | 95 | 127.9 Ų | 127.9 | 62% | 0.617 | 70% | 0.7 | S | S | * | * | trans | -61.2 | 108.7 | -172.8 | 25 | -33.4 | 0 | 0 | 0 | 110.7 | N54 | P52-N54 VanDerWaalsContact C-N 3.3Å; P52-N54 PolarHBondContact O-N 3.36Å | ||
| 53 | L | 58.5 | Low | 51.6 | Low | 115 Ų | 115 | 126.8 Ų | 126.8 | 60% | 0.602 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -81 | -6.8 | -175 | -162.1 | 69.6 | 0 | 0 | 0 | 113.3 | K41 Y51 | K41-L53 HydrophobicContact CD-CD2 4.11Å; K41-L53 VanDerWaalsContact CE-CD2 3.5Å; Y51-L53 PolarHBondContact O-N 2.9Å |
| 54 | N | 55.1 | Low | 50.9 | Low | 87 Ų | 87 | 128.2 Ų | 128.2 | 47% | 0.465 | 72% | 0.716 | S | S | . | * | trans | -155.6 | 110.5 | 176.5 | -87.3 | -53.9 | 0 | 0 | 0 | 110.9 | P52 F56 | P52-N54 VanDerWaalsContact C-N 3.3Å; P52-N54 PolarHBondContact O-N 3.36Å; N54-F56 HydrophobicContact CB-CD2 3.95Å; N54-F56 HydrophobicContact CB-CE2 3.53Å; N54-F56 HydrophobicContact CB-CZ 4.31Å; N54-F56 WeakPolarHBondContact OD1-CE2 3.1Å; N54-F56 WeakPolarHBondContact OD1-CZ 3.44Å | ||
| 55 | N | 45.9 | Very low | 50.4 | Low | 144 Ų | 144 | 135.6 Ų | 135.6 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | trans | -104.1 | 91.2 | 174.8 | -162.7 | 30 | 0 | 0 | 0 | 108.3 | ||||
| 56 | F | 52.4 | Low | 50 | Low | 151 Ų | 151 | 132.6 Ų | 132.6 | 66% | 0.662 | 75% | 0.751 | S | S | * | * | trans | -99.9 | 110.9 | 174.2 | -63.9 | -70.9 | 0 | 0 | 0 | 108.6 | N54 | N54-F56 HydrophobicContact CB-CD2 3.95Å; N54-F56 HydrophobicContact CB-CE2 3.53Å; N54-F56 HydrophobicContact CB-CZ 4.31Å; N54-F56 WeakPolarHBondContact OD1-CE2 3.1Å; N54-F56 WeakPolarHBondContact OD1-CZ 3.44Å | ||
| 57 | S | 44.1 | Very low | 49.6 | Very low | 109 Ų | 109 | 130.2 Ų | 130.2 | 76% | 0.762 | 74% | 0.741 | S | S | * | * | trans | -81.9 | 130.3 | 165.6 | 32.9 | 0 | 0 | 0 | 0 | 109.1 | A59 | S57-A59 PolarHBondContact O-N 3.07Š| ||
| 58 | V | 40.1 | Very low | 49.8 | Very low | 147 Ų | 147 | 130.8 Ų | 130.8 | 89% | 0.891 | 74% | 0.741 | S | S | * | * | trans | -87.3 | 104.4 | 166.4 | -178.2 | 0 | 0 | 0 | 0 | 106 | ||||
| 59 | A | 45 | Very low | 49.6 | Very low | 165 Ų | 165 | 130.1 Ų | 130.1 | 100% | 1.364 | 74% | 0.741 | S | S | * | * | trans | -101.8 | 0 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | S57 | S57-A59 PolarHBondContact O-N 3.07Š|
Retrieved 59 of 59 residues in 96.2 ms
(Link to these results)