| 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 | 36.6 | Very low | 47.2 | Very low | 241 Ų | 241 | 162 Ų | 162 | 100% | 1.187 | 80% | 0.801 | S | S | * | * | 0 | 99.8 | 0 | -58.1 | -173.8 | -144.1 | 0 | 0 | 106.8 | R3 | M1-R3 PolarHBondContact O-N 3.24Š| |||
| 2 | E | 39.3 | Very low | 47.5 | Very low | 180 Ų | 180 | 160.3 Ų | 160.3 | 84% | 0.841 | 81% | 0.812 | S | S | * | * | trans | -71.3 | 118.3 | -177.8 | -167.4 | 178.7 | 101.4 | 0 | 0 | 108.5 | L4 | E2-L4 PolarHBondContact O-N 2.96Å; E2-L4 VanDerWaalsContact O-N 3.08Å | ||
| 3 | R | 46.7 | Very low | 48.4 | Very low | 216 Ų | 216 | 153.2 Ų | 153.2 | 82% | 0.815 | 80% | 0.802 | S | S | * | * | trans | -73.2 | 100.4 | 172.5 | -76.9 | 177.1 | 141.9 | 160 | -2.1 | 106.8 | M1 Q5 | M1-R3 PolarHBondContact O-N 3.24Å; R3-Q5 VanDerWaalsContact C-N 3.33Å; R3-Q5 PolarHBondContact O-N 3.13Å | ||
| 4 | L | 41.2 | Very low | 49.4 | Very low | 157 Ų | 157 | 145.2 Ų | 145.2 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | trans | -52.8 | 100.7 | 164.6 | -88.8 | 163.3 | 0 | 0 | 0 | 108 | E2 K6 | E2-L4 PolarHBondContact O-N 2.96Å; E2-L4 VanDerWaalsContact O-N 3.08Å; L4-K6 PolarHBondContact O-N 3.08Å | ||
| 5 | Q | 48.8 | Very low | 50 | Low | 182 Ų | 182 | 141.9 Ų | 141.9 | 85% | 0.85 | 75% | 0.753 | S | S | * | * | trans | -64.6 | 93.7 | 166.4 | -86.3 | 174.5 | -26.4 | 0 | 0 | 106.3 | R3 Q7 | R3-Q5 VanDerWaalsContact C-N 3.33Å; R3-Q5 PolarHBondContact O-N 3.13Å; Q5-Q7 PolarHBondContact O-N 3.35Å | ||
| 6 | K | 47.7 | Very low | 50.8 | Low | 196 Ų | 196 | 136.4 Ų | 136.4 | 85% | 0.852 | 73% | 0.73 | S | S | * | * | trans | -56.2 | 104.7 | 170.9 | -175.2 | 168.4 | 176 | 177 | 0 | 106.8 | L4 P8 | L4-K6 PolarHBondContact O-N 3.08Å; K6-P8 VanDerWaalsContact O-CD 3.31Å; K6-P8 WeakPolarHBondContact O-CD 3.48Å | ||
| 7 | Q | 44.3 | Very low | 51.1 | Low | 168 Ų | 168 | 134.4 Ų | 134.4 | 79% | 0.785 | 73% | 0.726 | S | S | * | * | trans | -53.3 | 121.1 | 175.3 | -73.5 | 174.6 | -15.8 | 0 | 0 | 107.8 | Q5 L9 | Q5-Q7 PolarHBondContact O-N 3.35Å; Q7-L9 PolarHBondContact O-N 3.3Å | ||
| 8 | P | 51.1 | Low | 51.7 | Low | 94 Ų | 94 | 129.2 Ų | 129.2 | 61% | 0.61 | 70% | 0.701 | S | S | * | * | trans | -63.3 | 112.8 | 173.2 | -18.2 | 31.1 | 0 | 0 | 0 | 107.8 | K6 T10 | K6-P8 VanDerWaalsContact O-CD 3.31Å; K6-P8 WeakPolarHBondContact O-CD 3.48Å; P8-T10 HydrophobicContact CB-CG2 3.54Å; P8-T10 PolarHBondContact O-N 3.46Å | ||
| 9 | L | 55.5 | Low | 52.2 | Low | 179 Ų | 179 | 134.7 Ų | 134.7 | 94% | 0.937 | 71% | 0.711 | S | S | * | * | trans | -71.6 | 63.2 | 164.8 | -67.8 | 169.7 | 0 | 0 | 0 | 108 | Q7 | Q7-L9 PolarHBondContact O-N 3.3Š| ||
| 10 | T | 53.8 | Low | 52.5 | Low | 77 Ų | 77 | 135.6 Ų | 135.6 | 47% | 0.472 | 72% | 0.716 | S | S | . | * | trans | -111.5 | 134.4 | -174.6 | 65 | 0 | 0 | 0 | 0 | 109.9 | P8 S14 | P8-T10 HydrophobicContact CB-CG2 3.54Å; P8-T10 PolarHBondContact O-N 3.46Å; T10-S14 VanDerWaalsContact CB-CB 3.49Å; T10-S14 WeakPolarHBondContact CB-OG 3.06Å; T10-S14 PolarHBondContact OG1-OG 2.92Å | ||
| 11 | S | 54.5 | Low | 52.7 | Low | 92 Ų | 92 | 130.9 Ų | 130.9 | 64% | 0.643 | 69% | 0.694 | S | S | * | * | trans | -55.5 | 153.9 | -177.8 | -51.6 | 0 | 0 | 0 | 0 | 111.6 | G13 S14 | S11-G13 PolarHBondContact O-N 3.36Å; S11-G13 VanDerWaalsContact O-N 3.08Å; S11-S14 PolarHBondContact O-N 3.18Å; S11-S14 VanDerWaalsContact O-N 3.08Å | ||
| 12 | P | 50.3 | Low | 53.8 | Low | 142 Ų | 142 | 125 Ų | 125 | 92% | 0.922 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.4 | 120 | 169 | -21.2 | 31.6 | 0 | 0 | 0 | 109.6 | ||
| 13 | G | 59.9 | Low | 55.4 | Low | 67 Ų | 67 | 120.4 Ų | 120.4 | 69% | 0.691 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 102.4 | 2.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | S11 | S11-G13 PolarHBondContact O-N 3.36Å; S11-G13 VanDerWaalsContact O-N 3.08Å |
| 14 | S | 61.7 | Low | 56.5 | Low | 42 Ų | 42 | 116.2 Ų | 116.2 | 29% | 0.294 | 66% | 0.662 | S | S | . | * | trans | -69.4 | 138.3 | 177.1 | 70.1 | 0 | 0 | 0 | 0 | 113.1 | T10 S11 | T10-S14 VanDerWaalsContact CB-CB 3.49Å; T10-S14 WeakPolarHBondContact CB-OG 3.06Å; T10-S14 PolarHBondContact OG1-OG 2.92Å; S11-S14 PolarHBondContact O-N 3.18Å; S11-S14 VanDerWaalsContact O-N 3.08Å | ||
| 15 | V | 59.3 | Low | 58 | Low | 95 Ų | 95 | 112.9 Ų | 112.9 | 58% | 0.576 | 67% | 0.665 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -94.9 | 135.2 | 171.4 | -67.6 | 0 | 0 | 0 | 0 | 110.8 | I30 A32 | V15-I30 HydrophobicContact CB-CG2 4.35Å; V15-I30 HydrophobicContact CG1-CG2 4.3Å; V15-A32 HydrophobicContact CG1-CB 4.37Å |
| 16 | S | 62.4 | Low | 59.4 | Low | 54 Ų | 54 | 105.6 Ų | 105.6 | 38% | 0.378 | 63% | 0.634 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -118.6 | 134.2 | 177.3 | -57.2 | 0 | 0 | 0 | 0 | 109 | S18 V31 | S16-S18 PolarHBondContact O-N 3.48Å; S16-V31 WeakPolarHBondContact O-CG2 3.32Å |
| 17 | P | 55.5 | Low | 60.8 | Low | 102 Ų | 102 | 98.7 Ų | 98.7 | 66% | 0.662 | 61% | 0.61 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -69.8 | 125.2 | 171.9 | 27.2 | -30.8 | 0 | 0 | 0 | 109.8 | S29 | P17-S29 CarbonylContact C-O 3.58Å; P17-S29 WeakPolarHBondContact CA-O 3.09Å |
| 18 | S | 62.5 | Low | 62.6 | Low | 41 Ų | 41 | 94 Ų | 94 | 29% | 0.287 | 60% | 0.595 | S | S | . | * | trans | -72.3 | 135.8 | 167.6 | 70.1 | 0 | 0 | 0 | 0 | 109.3 | S16 D20 S29 | S16-S18 PolarHBondContact O-N 3.48Å; S18-D20 PolarHBondContact O-N 3.01Å; S18-D20 VanDerWaalsContact O-N 3.16Å; S18-S29 PolarHBondContact N-O 3.21Å; S18-S29 WeakPolarHBondContact O-CB 3.42Å; S18-S29 WeakPolarHBondContact OG-CA 3.45Å; S18-S29 PolarHBondContact OG-O 3.43Å | ||
| 19 | R | 61.7 | Low | 64.1 | Low | 234 Ų | 234 | 90.6 Ų | 90.6 | 88% | 0.883 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | 3.6 | -176.5 | -59.5 | -177.8 | 83.2 | -141.5 | 4.5 | 113.2 | ||
| 20 | D | 57.2 | Low | 65.4 | Low | 153 Ų | 153 | 85 Ų | 85 | 82% | 0.818 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97 | 4.4 | -173.3 | -66.4 | -52.3 | 0 | 0 | 0 | 114.1 | S18 S22 | S18-D20 PolarHBondContact O-N 3.01Å; S18-D20 VanDerWaalsContact O-N 3.16Å; D20-S22 PolarHBondContact O-N 3.02Å |
| 21 | S | 57.1 | Low | 67 | Low | 36 Ų | 36 | 83 Ų | 83 | 25% | 0.252 | 53% | 0.532 | S | S | . | . | trans | -77.3 | 112 | 176 | 179.2 | 0 | 0 | 0 | 0 | 111.2 | V23 | S21-V23 PolarHBondContact O-N 3.48Å; S21-V23 VanDerWaalsContact O-N 3.16Å; S21-V23 PolarHBondContact OG-O 3.32Å | ||
| 22 | S | 58.6 | Low | 68.5 | Low | 118 Ų | 118 | 79.5 Ų | 79.5 | 83% | 0.825 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -66.7 | -8.8 | -179.3 | 56.5 | 0 | 0 | 0 | 0 | 115 | D20 | D20-S22 PolarHBondContact O-N 3.02Š|
| 23 | V | 73.8 | Confident | 70.2 | Confident | 84 Ų | 84 | 80.7 Ų | 80.7 | 51% | 0.509 | 50% | 0.499 | S | S | . | . | S | Bend | trans | -123.4 | 117.2 | -180 | -175.2 | 0 | 0 | 0 | 0 | 109.5 | S21 G25 S26 | S21-V23 PolarHBondContact O-N 3.48Å; S21-V23 VanDerWaalsContact O-N 3.16Å; S21-V23 PolarHBondContact OG-O 3.32Å; V23-G25 PolarHBondContact O-N 2.67Å; V23-S26 VanDerWaalsContact O-CB 3.3Å; V23-S26 WeakPolarHBondContact O-CB 3.16Å; V23-S26 PolarHBondContact O-N 3.07Å; V23-S26 VanDerWaalsContact O-N 3.12Å |
| 24 | P | 69.5 | Low | 71.3 | Confident | 128 Ų | 128 | 82.9 Ų | 82.9 | 83% | 0.831 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | 131.3 | 172.4 | -22.1 | 31.9 | 0 | 0 | 0 | 110.8 | S26 | P24-S26 VanDerWaalsContact C-N 3.27Å; P24-S26 PolarHBondContact O-N 2.84Å |
| 25 | G | 72.2 | Confident | 72.2 | Confident | 87 Ų | 87 | 88.4 Ų | 88.4 | 90% | 0.897 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.7 | -1.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | V23 | V23-G25 PolarHBondContact O-N 2.67Š|
| 26 | S | 78.7 | Confident | 73.4 | Confident | 28 Ų | 28 | 91.9 Ų | 91.9 | 20% | 0.196 | 53% | 0.534 | C | S | . | . | trans | -70.5 | 132.7 | 173.7 | 177.4 | 0 | 0 | 0 | 0 | 111.3 | V23 P24 S28 S29 | V23-S26 VanDerWaalsContact O-CB 3.3Å; V23-S26 WeakPolarHBondContact O-CB 3.16Å; V23-S26 PolarHBondContact O-N 3.07Å; V23-S26 VanDerWaalsContact O-N 3.12Å; P24-S26 VanDerWaalsContact C-N 3.27Å; P24-S26 PolarHBondContact O-N 2.84Å; S26-S28 PolarHBondContact O-N 3.35Å; S26-S28 VanDerWaalsContact O-N 3.15Å; S26-S28 WeakPolarHBondContact OG-CB 3.27Å; S26-S28 PolarHBondContact OG-N 3.45Å; S26-S28 PolarHBondContact OG-OG 3.05Å; S26-S29 PolarHBondContact O-N 2.8Å; S26-S29 PolarHBondContact O-OG 3.07Å | ||
| 27 | P | 77.9 | Confident | 74.5 | Confident | 51 Ų | 51 | 96 Ų | 96 | 33% | 0.331 | 55% | 0.548 | S | S | . | . | G | 310 helix | trans | -69.3 | -8.7 | 176.6 | 31.1 | -36.3 | 0 | 0 | 0 | 112.5 | S29 I30 Y41 | P27-S29 PolarHBondContact O-N 3.06Å; P27-S29 VanDerWaalsContact O-N 3.08Å; P27-I30 HydrophobicContact CB-CD1 3.98Å; P27-I30 VanDerWaalsContact O-CB 3.3Å; P27-I30 WeakPolarHBondContact O-CB 3.31Å; P27-I30 WeakPolarHBondContact O-CG1 3.47Å; P27-I30 PolarHBondContact O-N 2.98Å; P27-Y41 HydrophobicContact CB-CD1 4.17Å; P27-Y41 HydrophobicContact CB-CD2 3.75Å; P27-Y41 HydrophobicContact CB-CE1 3.98Å; P27-Y41 HydrophobicContact CB-CE2 3.55Å; P27-Y41 HydrophobicContact CB-CG 4.06Å; P27-Y41 HydrophobicContact CG-CD1 4.22Å; P27-Y41 HydrophobicContact CG-CE1 3.82Å; P27-Y41 HydrophobicContact CG-CE2 4.26Å; P27-Y41 VanDerWaalsContact O-CB 3.32Å; P27-Y41 WeakPolarHBondContact O-CB 3.43Å |
| 28 | S | 81.6 | Confident | 76 | Confident | 70 Ų | 70 | 95.7 Ų | 95.7 | 49% | 0.49 | 54% | 0.543 | S | S | . | . | G | 310 helix | trans | -59.3 | -18 | 175.6 | -61.2 | 0 | 0 | 0 | 0 | 114.1 | S26 I30 | S26-S28 PolarHBondContact O-N 3.35Å; S26-S28 VanDerWaalsContact O-N 3.15Å; S26-S28 WeakPolarHBondContact OG-CB 3.27Å; S26-S28 PolarHBondContact OG-N 3.45Å; S26-S28 PolarHBondContact OG-OG 3.05Å; S28-I30 VanDerWaalsContact C-N 3.3Å |
| 29 | S | 81.9 | Confident | 77.2 | Confident | 22 Ų | 22 | 95.7 Ų | 95.7 | 15% | 0.154 | 54% | 0.54 | C | S | . | . | G | 310 helix | trans | -75.6 | -16.2 | 172.5 | 59.5 | 0 | 0 | 0 | 0 | 113.7 | P17 S18 S26 P27 V31 | P17-S29 CarbonylContact C-O 3.58Å; P17-S29 WeakPolarHBondContact CA-O 3.09Å; S18-S29 PolarHBondContact N-O 3.21Å; S18-S29 WeakPolarHBondContact O-CB 3.42Å; S18-S29 WeakPolarHBondContact OG-CA 3.45Å; S18-S29 PolarHBondContact OG-O 3.43Å; S26-S29 PolarHBondContact O-N 2.8Å; S26-S29 PolarHBondContact O-OG 3.07Å; P27-S29 PolarHBondContact O-N 3.06Å; P27-S29 VanDerWaalsContact O-N 3.08Å; S29-V31 PolarHBondContact O-N 2.87Å |
| 30 | I | 84.1 | Confident | 78.4 | Confident | 61 Ų | 61 | 85.7 Ų | 85.7 | 31% | 0.313 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 123.5 | -175.3 | -59 | 170.4 | 0 | 0 | 0 | 109.4 | V15 P27 S28 Y41 L44 | V15-I30 HydrophobicContact CB-CG2 4.35Å; V15-I30 HydrophobicContact CG1-CG2 4.3Å; P27-I30 HydrophobicContact CB-CD1 3.98Å; P27-I30 VanDerWaalsContact O-CB 3.3Å; P27-I30 WeakPolarHBondContact O-CB 3.31Å; P27-I30 WeakPolarHBondContact O-CG1 3.47Å; P27-I30 PolarHBondContact O-N 2.98Å; S28-I30 VanDerWaalsContact C-N 3.3Å; I30-Y41 HydrophobicContact CB-CD2 4.26Å; I30-Y41 HydrophobicContact CD1-CD2 4.2Å; I30-Y41 HydrophobicContact CD1-CE2 4.47Å; I30-Y41 PolarHBondContact O-N 3.01Å; I30-L44 HydrophobicContact CG2-CD1 4.24Å |
| 31 | V | 87.2 | Confident | 79.8 | Confident | 37 Ų | 37 | 82.7 Ų | 82.7 | 22% | 0.224 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 149.8 | 172 | -60.5 | 0 | 0 | 0 | 0 | 110.3 | S16 S29 V38 L39 | S16-V31 WeakPolarHBondContact O-CG2 3.32Å; S29-V31 PolarHBondContact O-N 2.87Å; V31-V38 HydrophobicContact CB-CG1 4.04Å; V31-V38 HydrophobicContact CG2-CG1 4.41Å; V31-L39 CarbonylContact C-O 3.6Å; V31-L39 VanDerWaalsContact CA-O 3.23Å; V31-L39 WeakPolarHBondContact CA-O 3.48Å; V31-L39 WeakPolarHBondContact CB-O 3.23Å |
| 32 | A | 85.3 | Confident | 81.1 | Confident | 18 Ų | 18 | 88.4 Ų | 88.4 | 15% | 0.149 | 51% | 0.508 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 145.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | V15 V38 L39 L44 | V15-A32 HydrophobicContact CG1-CB 4.37Å; A32-V38 WeakPolarHBondContact O-CA 3.36Å; A32-L39 PolarHBondContact N-O 3.19Å; A32-L39 PolarHBondContact O-N 2.95Å; A32-L44 HydrophobicContact CB-CD1 3.89Å; A32-L44 HydrophobicContact CB-CD2 3.67Å; A32-L44 HydrophobicContact CB-CG 4.4Å |
| 33 | K | 86.4 | Confident | 82.5 | Confident | 166 Ų | 166 | 87.3 Ų | 87.3 | 72% | 0.722 | 49% | 0.493 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 120.7 | 169.7 | -71.7 | -169.1 | 161.9 | -173.1 | 0 | 108.9 | V38 | K33-V38 HydrophobicContact CG-CG2 4.28Å |
| 34 | M | 82.1 | Confident | 82.9 | Confident | 114 Ų | 114 | 85.1 Ų | 85.1 | 56% | 0.562 | 48% | 0.478 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 114.8 | 174.5 | -177.8 | -179.4 | 177.8 | 0 | 0 | 107.9 | N36 Q37 L39 | M34-N36 PolarHBondContact O-N 2.88Å; M34-Q37 PolarHBondContact N-O 3.29Å; M34-Q37 PolarHBondContact O-N 3.04Å; M34-Q37 VanDerWaalsContact O-O 3.12Å; M34-L39 HydrophobicContact CB-CD1 4.45Å |
| 35 | D | 81.8 | Confident | 83.5 | Confident | 157 Ų | 157 | 82.2 Ų | 82.2 | 84% | 0.84 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.5 | -111.7 | -175.7 | -53.2 | -51.2 | 0 | 0 | 0 | 111.9 | ||
| 36 | N | 85.1 | Confident | 84.1 | Confident | 168 Ų | 168 | 81.8 Ų | 81.8 | 90% | 0.898 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.5 | 13.7 | -178.4 | -139.6 | 65.8 | 0 | 0 | 0 | 113.4 | M34 | M34-N36 PolarHBondContact O-N 2.88Š|
| 37 | Q | 84.7 | Confident | 84.2 | Confident | 142 Ų | 142 | 84.1 Ų | 84.1 | 66% | 0.664 | 46% | 0.463 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 149.8 | -176.7 | -64.4 | -170 | 96 | 0 | 0 | 112.2 | M34 | M34-Q37 PolarHBondContact N-O 3.29Å; M34-Q37 PolarHBondContact O-N 3.04Å; M34-Q37 VanDerWaalsContact O-O 3.12Å |
| 38 | V | 87 | Confident | 84.1 | Confident | 94 Ų | 94 | 85 Ų | 85 | 57% | 0.57 | 47% | 0.469 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 120.8 | 172.7 | -175.4 | 0 | 0 | 0 | 0 | 107.8 | V31 A32 K33 | V31-V38 HydrophobicContact CB-CG1 4.04Å; V31-V38 HydrophobicContact CG2-CG1 4.41Å; A32-V38 WeakPolarHBondContact O-CA 3.36Å; K33-V38 HydrophobicContact CG-CG2 4.28Å |
| 39 | L | 86.8 | Confident | 83.4 | Confident | 41 Ų | 41 | 90.1 Ų | 90.1 | 22% | 0.215 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 134.2 | 179.7 | -63.3 | 175.4 | 0 | 0 | 0 | 110 | V31 A32 M34 D43 L44 | V31-L39 CarbonylContact C-O 3.6Å; V31-L39 VanDerWaalsContact CA-O 3.23Å; V31-L39 WeakPolarHBondContact CA-O 3.48Å; V31-L39 WeakPolarHBondContact CB-O 3.23Å; A32-L39 PolarHBondContact N-O 3.19Å; A32-L39 PolarHBondContact O-N 2.95Å; M34-L39 HydrophobicContact CB-CD1 4.45Å; L39-D43 HydrophobicContact CD2-CB 4.28Å; L39-L44 HydrophobicContact CB-CD2 3.81Å; L39-L44 HydrophobicContact CB-CG 4.09Å; L39-L44 HydrophobicContact CD1-CD2 4.09Å |
| 40 | G | 87.8 | Confident | 82.8 | Confident | 25 Ų | 25 | 95.2 Ų | 95.2 | 26% | 0.258 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 165.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | K42 D43 L44 | G40-K42 PolarHBondContact O-N 2.91Å; G40-K42 VanDerWaalsContact O-N 3.07Å; G40-D43 PolarHBondContact O-N 3.26Å; G40-L44 WeakPolarHBondContact O-CG 3.38Å; G40-L44 PolarHBondContact O-N 3.49Å |
| 41 | Y | 86.2 | Confident | 82.1 | Confident | 90 Ų | 90 | 99.4 Ų | 99.4 | 35% | 0.353 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -48.8 | -38.5 | 179.8 | 178.2 | -101.4 | 0 | 0 | 0 | 114.6 | P27 I30 L44 A45 | P27-Y41 HydrophobicContact CB-CD1 4.17Å; P27-Y41 HydrophobicContact CB-CD2 3.75Å; P27-Y41 HydrophobicContact CB-CE1 3.98Å; P27-Y41 HydrophobicContact CB-CE2 3.55Å; P27-Y41 HydrophobicContact CB-CG 4.06Å; P27-Y41 HydrophobicContact CG-CD1 4.22Å; P27-Y41 HydrophobicContact CG-CE1 3.82Å; P27-Y41 HydrophobicContact CG-CE2 4.26Å; P27-Y41 VanDerWaalsContact O-CB 3.32Å; P27-Y41 WeakPolarHBondContact O-CB 3.43Å; I30-Y41 HydrophobicContact CB-CD2 4.26Å; I30-Y41 HydrophobicContact CD1-CD2 4.2Å; I30-Y41 HydrophobicContact CD1-CE2 4.47Å; I30-Y41 PolarHBondContact O-N 3.01Å; Y41-L44 PolarHBondContact O-N 3.15Å; Y41-A45 VanDerWaalsContact O-CB 3.31Å; Y41-A45 WeakPolarHBondContact O-CB 3.3Å; Y41-A45 PolarHBondContact O-N 3.22Å |
| 42 | K | 84.7 | Confident | 81.4 | Confident | 155 Ų | 155 | 100.1 Ų | 100.1 | 67% | 0.674 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61 | -45.8 | 179.2 | -70.1 | -81.8 | -176.7 | -80.3 | 0 | 111.8 | G40 A46 | G40-K42 PolarHBondContact O-N 2.91Å; G40-K42 VanDerWaalsContact O-N 3.07Å; K42-A46 PolarHBondContact O-N 3.08Å |
| 43 | D | 87.1 | Confident | 80.6 | Confident | 95 Ų | 95 | 107.3 Ų | 107.3 | 51% | 0.508 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -73.2 | -37.8 | -179.3 | -51.3 | -49.4 | 0 | 0 | 0 | 110.9 | L39 G40 A45 A46 I47 | L39-D43 HydrophobicContact CD2-CB 4.28Å; G40-D43 PolarHBondContact O-N 3.26Å; D43-A45 VanDerWaalsContact C-N 3.34Å; D43-A45 PolarHBondContact O-N 3.03Å; D43-A46 PolarHBondContact O-N 3.41Å; D43-I47 PolarHBondContact O-N 2.79Å |
| 44 | L | 83.8 | Confident | 79.7 | Confident | 38 Ų | 38 | 104.9 Ų | 104.9 | 20% | 0.199 | 56% | 0.562 | C | S | . | * | H | α-helix | trans | -62 | -41.2 | 175.1 | -65.4 | 173.4 | 0 | 0 | 0 | 112.1 | I30 A32 L39 G40 Y41 A46 I47 | I30-L44 HydrophobicContact CG2-CD1 4.24Å; A32-L44 HydrophobicContact CB-CD1 3.89Å; A32-L44 HydrophobicContact CB-CD2 3.67Å; A32-L44 HydrophobicContact CB-CG 4.4Å; L39-L44 HydrophobicContact CB-CD2 3.81Å; L39-L44 HydrophobicContact CB-CG 4.09Å; L39-L44 HydrophobicContact CD1-CD2 4.09Å; G40-L44 WeakPolarHBondContact O-CG 3.38Å; G40-L44 PolarHBondContact O-N 3.49Å; Y41-L44 PolarHBondContact O-N 3.15Å; L44-A46 PolarHBondContact O-N 3.4Å; L44-I47 HydrophobicContact CD2-CD1 4.08Å; L44-I47 WeakPolarHBondContact O-CB 3.43Å; L44-I47 WeakPolarHBondContact O-CG1 3.3Å; L44-I47 PolarHBondContact O-N 3.08Å |
| 45 | A | 82.1 | Confident | 79.3 | Confident | 68 Ų | 68 | 106.4 Ų | 106.4 | 56% | 0.562 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -71 | -17.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y41 D43 | Y41-A45 VanDerWaalsContact O-CB 3.31Å; Y41-A45 WeakPolarHBondContact O-CB 3.3Å; Y41-A45 PolarHBondContact O-N 3.22Å; D43-A45 VanDerWaalsContact C-N 3.34Å; D43-A45 PolarHBondContact O-N 3.03Å |
| 46 | A | 84.8 | Confident | 78.8 | Confident | 77 Ų | 77 | 104.4 Ų | 104.4 | 64% | 0.636 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | -8.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | K42 D43 L44 P48 | K42-A46 PolarHBondContact O-N 3.08Å; D43-A46 PolarHBondContact O-N 3.41Å; L44-A46 PolarHBondContact O-N 3.4Å; A46-P48 WeakPolarHBondContact O-CD 3.41Å |
| 47 | I | 80.3 | Confident | 78.4 | Confident | 77 Ų | 77 | 101.9 Ų | 101.9 | 40% | 0.395 | 54% | 0.543 | S | S | . | . | S | Bend | trans | -60.5 | 124.7 | 176.5 | -64.8 | 175.9 | 0 | 0 | 0 | 108.4 | D43 L44 K51 | D43-I47 PolarHBondContact O-N 2.79Å; L44-I47 HydrophobicContact CD2-CD1 4.08Å; L44-I47 WeakPolarHBondContact O-CB 3.43Å; L44-I47 WeakPolarHBondContact O-CG1 3.3Å; L44-I47 PolarHBondContact O-N 3.08Å; I47-K51 HydrophobicContact CG2-CB 3.75Å |
| 48 | P | 76.1 | Confident | 77.9 | Confident | 71 Ų | 71 | 102.7 Ų | 102.7 | 46% | 0.461 | 54% | 0.54 | S | S | . | . | trans | -66.4 | 149.6 | -179 | 26.4 | -32.7 | 0 | 0 | 0 | 111 | A46 D50 K51 | A46-P48 WeakPolarHBondContact O-CD 3.41Å; P48-D50 VanDerWaalsContact C-OD1 3.26Å; P48-D50 WeakPolarHBondContact CB-OD1 3.47Å; P48-D50 WeakPolarHBondContact CG-OD1 3.39Å; P48-D50 PolarHBondContact O-N 3.4Å; P48-D50 VanDerWaalsContact O-N 3.13Å; P48-K51 HydrophobicContact CG-CD 4.36Å; P48-K51 HydrophobicContact CG-CG 4.47Å; P48-K51 PolarHBondContact O-N 3.12Å | ||
| 49 | K | 66.6 | Low | 77.1 | Confident | 177 Ų | 177 | 103.9 Ų | 103.9 | 77% | 0.77 | 55% | 0.55 | S | S | * | . | G | 310 helix | trans | -58.4 | -28.2 | -172.9 | -66.7 | -172.4 | 176.1 | -169.7 | 0 | 113.7 | K51 A52 | K49-K51 PolarHBondContact O-N 3.4Å; K49-A52 VanDerWaalsContact O-CB 3.27Å; K49-A52 WeakPolarHBondContact O-CB 3.42Å; K49-A52 PolarHBondContact O-N 3.08Å; K49-A52 VanDerWaalsContact O-N 3.08Å |
| 50 | D | 70 | Confident | 76.6 | Confident | 129 Ų | 129 | 106.5 Ų | 106.5 | 69% | 0.69 | 56% | 0.564 | S | S | * | * | G | 310 helix | trans | -62.6 | -19.9 | 175.9 | 65.6 | -32.5 | 0 | 0 | 0 | 113.4 | P48 | P48-D50 VanDerWaalsContact C-OD1 3.26Å; P48-D50 WeakPolarHBondContact CB-OD1 3.47Å; P48-D50 WeakPolarHBondContact CG-OD1 3.39Å; P48-D50 PolarHBondContact O-N 3.4Å; P48-D50 VanDerWaalsContact O-N 3.13Å |
| 51 | K | 68.6 | Low | 76.2 | Confident | 149 Ų | 149 | 110.2 Ų | 110.2 | 65% | 0.648 | 58% | 0.578 | S | S | * | * | G | 310 helix | trans | -104.5 | 4.1 | 175.7 | -60.3 | -173.2 | -176.9 | -172.9 | 0 | 113.4 | I47 P48 K49 I53 | I47-K51 HydrophobicContact CG2-CB 3.75Å; P48-K51 HydrophobicContact CG-CD 4.36Å; P48-K51 HydrophobicContact CG-CG 4.47Å; P48-K51 PolarHBondContact O-N 3.12Å; K49-K51 PolarHBondContact O-N 3.4Å; K51-I53 PolarHBondContact O-N 3.16Å |
| 52 | A | 71.6 | Confident | 75.7 | Confident | 52 Ų | 52 | 110.2 Ų | 110.2 | 43% | 0.43 | 58% | 0.582 | S | S | . | * | trans | -70.7 | 129.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | K49 L54 | K49-A52 VanDerWaalsContact O-CB 3.27Å; K49-A52 WeakPolarHBondContact O-CB 3.42Å; K49-A52 PolarHBondContact O-N 3.08Å; K49-A52 VanDerWaalsContact O-N 3.08Å; A52-L54 WeakPolarHBondContact CB-O 3.11Å; A52-L54 PolarHBondContact O-N 3.22Å | ||
| 53 | I | 69 | Low | 75.4 | Confident | 168 Ų | 168 | 109.9 Ų | 109.9 | 86% | 0.862 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -69.8 | -16.1 | 174 | 57.5 | 169.3 | 0 | 0 | 0 | 112.3 | K51 | K51-I53 PolarHBondContact O-N 3.16Š|
| 54 | L | 67.3 | Low | 74.5 | Confident | 115 Ų | 115 | 114.6 Ų | 114.6 | 60% | 0.602 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -148.5 | 133.9 | -179.8 | -66.1 | 169.7 | 0 | 0 | 0 | 108.5 | A52 I56 | A52-L54 WeakPolarHBondContact CB-O 3.11Å; A52-L54 PolarHBondContact O-N 3.22Å; L54-I56 HydrophobicContact CB-CD1 4.14Å; L54-I56 HydrophobicContact CB-CG1 3.76Å; L54-I56 HydrophobicContact CD1-CD1 4.36Å; L54-I56 PolarHBondContact O-N 3.28Å |
| 55 | D | 74.1 | Confident | 74 | Confident | 147 Ų | 147 | 119.5 Ų | 119.5 | 79% | 0.786 | 62% | 0.62 | S | S | * | * | trans | -83.3 | 90 | 168.1 | -163.1 | 10.4 | 0 | 0 | 0 | 108.1 | ||||
| 56 | I | 71.1 | Confident | 73.7 | Confident | 114 Ų | 114 | 120.1 Ų | 120.1 | 59% | 0.585 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 118.2 | -178.7 | -58.6 | 176.3 | 0 | 0 | 0 | 107.4 | L54 M62 | L54-I56 HydrophobicContact CB-CD1 4.14Å; L54-I56 HydrophobicContact CB-CG1 3.76Å; L54-I56 HydrophobicContact CD1-CD1 4.36Å; L54-I56 PolarHBondContact O-N 3.28Å; I56-M62 HydrophobicContact CG2-CE 4.34Å; I56-M62 HydrophobicContact CG2-SD 3.54Å; I56-M62 VanDerWaalsContact CG2-SD 3.54Å |
| 57 | E | 76.4 | Confident | 72.8 | Confident | 115 Ų | 115 | 125.1 Ų | 125.1 | 54% | 0.537 | 63% | 0.628 | S | S | . | * | P | Polyproline II helix | trans | -62 | 158.6 | 171.9 | -110.4 | -177.9 | 174.9 | 0 | 0 | 110.7 | L61 M62 | E57-L61 HydrophobicContact CG-CB 4.48Å; E57-M62 HydrophobicContact CB-CG 3.84Å; E57-M62 HydrophobicContact CB-SD 4.29Å |
| 58 | R | 74 | Confident | 72.1 | Confident | 159 Ų | 159 | 128.9 Ų | 128.9 | 60% | 0.6 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 142.6 | 174.1 | -71.2 | 171.6 | 37.4 | 168.2 | -9.4 | 109.2 | D60 L61 M62 | R58-D60 WeakPolarHBondContact CB-OD1 3.31Å; R58-D60 IonicContact CZ-OD1 3.35Å; R58-D60 IonicContact CZ-OD2 3.33Å; R58-D60 IonicContact NE-OD1 2.8Å; R58-D60 PolarHBondContact NE-OD1 2.69Å; R58-D60 IonicContact NE-OD2 3.35Å; R58-D60 PolarHBondContact NE-OD2 2.88Å; R58-D60 IonicContact NH2-OD1 3.07Å; R58-D60 PolarHBondContact NH2-OD1 3.37Å; R58-D60 VanDerWaalsContact NH2-OD1 3.07Å; R58-D60 IonicContact NH2-OD2 2.67Å; R58-D60 PolarHBondContact NH2-OD2 3.05Å; R58-D60 PolarHBondContact O-N 3.08Å; R58-L61 HydrophobicContact CB-CD1 4.43Å; R58-L61 HydrophobicContact CB-CG 4.46Å; R58-L61 PolarHBondContact O-N 3.25Å; R58-M62 PolarHBondContact O-N 3.16Å |
| 59 | P | 70.5 | Confident | 71.7 | Confident | 119 Ų | 119 | 131.6 Ų | 131.6 | 77% | 0.773 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.7 | -21.8 | -175.8 | 23.3 | -34.3 | 0 | 0 | 0 | 113.7 | ||
| 60 | D | 77.7 | Confident | 71.9 | Confident | 97 Ų | 97 | 132.9 Ų | 132.9 | 52% | 0.519 | 66% | 0.659 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.3 | -16.9 | 174 | 58.1 | -74.6 | 0 | 0 | 0 | 114.8 | R58 | R58-D60 WeakPolarHBondContact CB-OD1 3.31Å; R58-D60 IonicContact CZ-OD1 3.35Å; R58-D60 IonicContact CZ-OD2 3.33Å; R58-D60 IonicContact NE-OD1 2.8Å; R58-D60 PolarHBondContact NE-OD1 2.69Å; R58-D60 IonicContact NE-OD2 3.35Å; R58-D60 PolarHBondContact NE-OD2 2.88Å; R58-D60 IonicContact NH2-OD1 3.07Å; R58-D60 PolarHBondContact NH2-OD1 3.37Å; R58-D60 VanDerWaalsContact NH2-OD1 3.07Å; R58-D60 IonicContact NH2-OD2 2.67Å; R58-D60 PolarHBondContact NH2-OD2 3.05Å; R58-D60 PolarHBondContact O-N 3.08Å |
| 61 | L | 77.5 | Confident | 71.8 | Confident | 103 Ų | 103 | 135.7 Ų | 135.7 | 54% | 0.539 | 69% | 0.688 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -102.1 | -24.6 | 177.5 | -60.8 | 177.6 | 0 | 0 | 0 | 112 | E57 R58 I63 | E57-L61 HydrophobicContact CG-CB 4.48Å; R58-L61 HydrophobicContact CB-CD1 4.43Å; R58-L61 HydrophobicContact CB-CG 4.46Å; R58-L61 PolarHBondContact O-N 3.25Å; L61-I63 PolarHBondContact O-N 3.06Å |
| 62 | M | 77.4 | Confident | 72 | Confident | 89 Ų | 89 | 135.1 Ų | 135.1 | 44% | 0.438 | 69% | 0.69 | S | S | . | * | trans | -72.7 | 124 | 179.9 | -116 | 169.9 | 64.6 | 0 | 0 | 111.9 | I56 E57 R58 Y64 | I56-M62 HydrophobicContact CG2-CE 4.34Å; I56-M62 HydrophobicContact CG2-SD 3.54Å; I56-M62 VanDerWaalsContact CG2-SD 3.54Å; E57-M62 HydrophobicContact CB-CG 3.84Å; E57-M62 HydrophobicContact CB-SD 4.29Å; R58-M62 PolarHBondContact O-N 3.16Å; M62-Y64 PolarHBondContact O-N 2.91Å | ||
| 63 | I | 77.8 | Confident | 72 | Confident | 148 Ų | 148 | 139.4 Ų | 139.4 | 76% | 0.759 | 70% | 0.704 | S | S | * | * | trans | -78.6 | 114.9 | 168.2 | -50.4 | 179.2 | 0 | 0 | 0 | 107.7 | L61 E65 | L61-I63 PolarHBondContact O-N 3.06Å; I63-E65 PolarHBondContact O-N 2.86Å | ||
| 64 | Y | 67.8 | Low | 72.1 | Confident | 195 Ų | 195 | 137.8 Ų | 137.8 | 77% | 0.765 | 70% | 0.695 | S | S | * | * | trans | -77.5 | 89.5 | 177.2 | -173.3 | -100.8 | 0 | 0 | 0 | 110.3 | M62 P66 | M62-Y64 PolarHBondContact O-N 2.91Å; Y64-P66 HydrophobicContact CE1-CB 4.27Å | ||
| 65 | E | 73.3 | Confident | 72.4 | Confident | 141 Ų | 141 | 139.2 Ų | 139.2 | 66% | 0.659 | 70% | 0.701 | S | S | * | * | trans | -84.2 | 119.2 | 163.7 | -73 | -101.9 | 136.2 | 0 | 0 | 108.1 | I63 H67 | I63-E65 PolarHBondContact O-N 2.86Å; E65-H67 PolarHBondContact O-CD2 3.42Å; E65-H67 PolarHBondContact O-N 3.08Å; E65-H67 VanDerWaalsContact O-N 3.08Å | ||
| 66 | P | 76.3 | Confident | 72.3 | Confident | 81 Ų | 81 | 138.7 Ų | 138.7 | 53% | 0.526 | 70% | 0.695 | S | S | . | * | trans | -66.5 | 111.1 | 178.2 | 24.2 | -30.6 | 0 | 0 | 0 | 110.4 | Y64 F68 | Y64-P66 HydrophobicContact CE1-CB 4.27Å; P66-F68 PolarHBondContact O-N 2.84Å | ||
| 67 | H | 64.8 | Low | 72.4 | Confident | 181 Ų | 181 | 140.3 Ų | 140.3 | 84% | 0.838 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -69 | -15.8 | -179.5 | -68.9 | -115.9 | 0 | 0 | 0 | 113.5 | E65 | E65-H67 PolarHBondContact O-CD2 3.42Å; E65-H67 PolarHBondContact O-N 3.08Å; E65-H67 VanDerWaalsContact O-N 3.08Å |
| 68 | F | 66.3 | Low | 72.1 | Confident | 157 Ų | 157 | 142.1 Ų | 142.1 | 69% | 0.689 | 72% | 0.715 | S | S | * | * | trans | -145.4 | 117.7 | 179.3 | -115.9 | -93.7 | 0 | 0 | 0 | 110.1 | P66 Y70 | P66-F68 PolarHBondContact O-N 2.84Å; F68-Y70 HydrophobicContact CB-CE2 4.33Å | ||
| 69 | T | 67.3 | Low | 72 | Confident | 128 Ų | 128 | 140.8 Ų | 140.8 | 79% | 0.785 | 72% | 0.723 | S | S | * | * | trans | -88.7 | 111.5 | 165.1 | -16.1 | 0 | 0 | 0 | 0 | 107.2 | S71 | T69-S71 PolarHBondContact O-N 3.36Š| ||
| 70 | Y | 70.3 | Confident | 72.1 | Confident | 204 Ų | 204 | 142.7 Ų | 142.7 | 80% | 0.8 | 72% | 0.719 | S | S | * | * | trans | -77.5 | 118 | 169.3 | -74.9 | -83.9 | 0 | 0 | 0 | 108.4 | F68 | F68-Y70 HydrophobicContact CB-CE2 4.33Š| ||
| 71 | S | 68.9 | Low | 71.6 | Confident | 188 Ų | 188 | 146.8 Ų | 146.8 | 100% | 1.315 | 74% | 0.738 | S | S | * | * | trans | -81.9 | 0 | 168.9 | 58.1 | 0 | 0 | 0 | 0 | 111.6 | T69 | T69-S71 PolarHBondContact O-N 3.36Š|
Retrieved 71 of 71 residues in 27.9 ms
(Link to these results)