| 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 | 45.1 | Very low | 56.3 | Low | 233 Ų | 233 | 145.8 Ų | 145.8 | 100% | 1.148 | 81% | 0.805 | S | S | * | * | 0 | 87.6 | 0 | -53.9 | -178.8 | -165.7 | 0 | 0 | 104.1 | |||||
| 2 | S | 59.5 | Low | 56.3 | Low | 115 Ų | 115 | 144.3 Ų | 144.3 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | 53.3 | 88.4 | 70.5 | -60.2 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 3 | D | 60.8 | Low | 56.4 | Low | 173 Ų | 173 | 146.5 Ų | 146.5 | 93% | 0.925 | 80% | 0.803 | S | S | * | * | trans | -144.8 | 135.8 | 144.8 | -78.8 | -60.9 | 0 | 0 | 0 | 109.3 | ||||
| 4 | Q | 65 | Low | 56.4 | Low | 162 Ų | 162 | 138.4 Ų | 138.4 | 76% | 0.757 | 77% | 0.77 | S | S | * | * | trans | -114.6 | 155.6 | -165.8 | -165.1 | -171.7 | -86.3 | 0 | 0 | 108.8 | ||||
| 5 | E | 55.2 | Low | 56.6 | Low | 128 Ų | 128 | 138.5 Ų | 138.5 | 60% | 0.598 | 77% | 0.769 | S | S | * | * | trans | 84.5 | 134.2 | 160.8 | -53.5 | -157.7 | 72.8 | 0 | 0 | 118.2 | K7 | E5-K7 VanDerWaalsContact OE1-CE 3.26Å; E5-K7 WeakPolarHBondContact OE1-CE 3.46Å; E5-K7 IonicContact OE1-NZ 2.88Å; E5-K7 PolarHBondContact OE1-NZ 3.37Å | ||
| 6 | A | 52.1 | Low | 56.9 | Low | 91 Ų | 91 | 140.9 Ų | 140.9 | 75% | 0.752 | 77% | 0.769 | S | S | * | * | cis | -146.2 | 138.8 | 37.1 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 7 | K | 56.9 | Low | 57 | Low | 167 Ų | 167 | 140.6 Ų | 140.6 | 73% | 0.726 | 76% | 0.758 | S | S | * | * | trans | 6.6 | 169 | 133 | -56.8 | 171 | -179.7 | 139.4 | 0 | 119.8 | E5 | E5-K7 VanDerWaalsContact OE1-CE 3.26Å; E5-K7 WeakPolarHBondContact OE1-CE 3.46Å; E5-K7 IonicContact OE1-NZ 2.88Å; E5-K7 PolarHBondContact OE1-NZ 3.37Å | ||
| 8 | P | 55.7 | Low | 57 | Low | 122 Ų | 122 | 141.9 Ų | 141.9 | 79% | 0.792 | 76% | 0.759 | S | S | * | * | cis | -133.8 | 162.9 | -44.3 | 36.8 | -20 | 0 | 0 | 0 | 112 | ||||
| 9 | S | 48.9 | Very low | 57.4 | Low | 105 Ų | 105 | 137.9 Ų | 137.9 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | trans | -158.1 | 96.4 | 154.1 | -154.4 | 0 | 0 | 0 | 0 | 108 | E11 | S9-E11 PolarHBondContact O-N 3.44Š| ||
| 10 | T | 60.9 | Low | 58 | Low | 124 Ų | 124 | 136 Ų | 136 | 76% | 0.761 | 74% | 0.74 | S | S | * | * | 60.3 | 59.4 | 106 | -128.8 | 0 | 0 | 0 | 0 | 112.2 | D12 | T10-D12 VanDerWaalsContact C-N 3.33Å; T10-D12 PolarHBondContact O-N 2.76Å | |||
| 11 | E | 59.3 | Low | 58.8 | Low | 184 Ų | 184 | 137.7 Ų | 137.7 | 86% | 0.86 | 74% | 0.737 | S | S | * | * | trans | -93.7 | 91.7 | 148.3 | -70.1 | -172.3 | 137.8 | 0 | 0 | 105.8 | S9 L13 | S9-E11 PolarHBondContact O-N 3.44Å; E11-L13 PolarHBondContact O-N 2.92Å | ||
| 12 | D | 56.5 | Low | 60.6 | Low | 128 Ų | 128 | 128.2 Ų | 128.2 | 68% | 0.684 | 69% | 0.69 | S | S | * | * | trans | -27.3 | 81.1 | 156.6 | -166.7 | -104.8 | 0 | 0 | 0 | 111.5 | T10 G14 | T10-D12 VanDerWaalsContact C-N 3.33Å; T10-D12 PolarHBondContact O-N 2.76Å; D12-G14 PolarHBondContact O-N 3.02Å; D12-G14 WeakPolarHBondContact OD1-CA 3.37Å | ||
| 13 | L | 57.6 | Low | 61.7 | Low | 172 Ų | 172 | 132.1 Ų | 132.1 | 90% | 0.901 | 69% | 0.693 | S | S | * | * | trans | -74.9 | 78.8 | 157.4 | -66.7 | -179.8 | 0 | 0 | 0 | 104.2 | E11 | E11-L13 PolarHBondContact O-N 2.92Š| ||
| 14 | G | 55.4 | Low | 62.6 | Low | 33 Ų | 33 | 126.3 Ų | 126.3 | 34% | 0.34 | 66% | 0.662 | S | S | . | * | trans | -43.6 | 145.2 | -164 | 0 | 0 | 0 | 0 | 0 | 111.6 | D12 K16 | D12-G14 PolarHBondContact O-N 3.02Å; D12-G14 WeakPolarHBondContact OD1-CA 3.37Å; G14-K16 VanDerWaalsContact C-N 3.34Å; G14-K16 PolarHBondContact O-N 3.33Å | ||
| 15 | D | 59.9 | Low | 63.3 | Low | 140 Ų | 140 | 127.3 Ų | 127.3 | 75% | 0.749 | 66% | 0.663 | S | S | * | * | trans | -20.6 | 97 | 169.1 | -69.2 | -95 | 0 | 0 | 0 | 110 | K17 | D15-K17 HydrophobicContact CB-CG 4.11Å; D15-K17 PolarHBondContact O-N 3.37Å | ||
| 16 | K | 61 | Low | 64.4 | Low | 178 Ų | 178 | 123.9 Ų | 123.9 | 77% | 0.774 | 65% | 0.651 | S | S | * | * | trans | -59 | 97.2 | 155.7 | -75 | 178.4 | 178.7 | 172.6 | 0 | 101.5 | G14 E18 | G14-K16 VanDerWaalsContact C-N 3.34Å; G14-K16 PolarHBondContact O-N 3.33Å; K16-E18 HydrophobicContact CB-CG 4.14Å; K16-E18 WeakPolarHBondContact O-CG 3.43Å; K16-E18 PolarHBondContact O-N 2.86Å | ||
| 17 | K | 59.3 | Low | 65.5 | Low | 135 Ų | 135 | 127.2 Ų | 127.2 | 59% | 0.587 | 65% | 0.654 | S | S | * | * | trans | -69 | 78.2 | 178.8 | -70.3 | -162.4 | -174.9 | 169.3 | 0 | 105.6 | D15 G19 | D15-K17 HydrophobicContact CB-CG 4.11Å; D15-K17 PolarHBondContact O-N 3.37Å; K17-G19 PolarHBondContact O-N 2.91Å | ||
| 18 | E | 57 | Low | 66 | Low | 165 Ų | 165 | 121.5 Ų | 121.5 | 77% | 0.771 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | 7.7 | 177.7 | -71.5 | -175.8 | 166.3 | 0 | 0 | 111.6 | K16 | K16-E18 HydrophobicContact CB-CG 4.14Å; K16-E18 WeakPolarHBondContact O-CG 3.43Å; K16-E18 PolarHBondContact O-N 2.86Å |
| 19 | G | 64.1 | Low | 66.3 | Low | 65 Ų | 65 | 125.8 Ų | 125.8 | 67% | 0.67 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101 | -31.9 | -158.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | K17 | K17-G19 PolarHBondContact O-N 2.91Š|
| 20 | E | 69.1 | Low | 67.5 | Low | 100 Ų | 100 | 124.3 Ų | 124.3 | 47% | 0.467 | 65% | 0.654 | S | S | . | * | trans | -161.5 | 93.8 | -162.2 | -126.3 | 170.3 | -163 | 0 | 0 | 113.2 | T50 P51 | E20-T50 WeakPolarHBondContact O-CB 3.27Å; E20-T50 WeakPolarHBondContact O-CG2 3.23Å; E20-P51 HydrophobicContact CG-CG 4.14Å; E20-P51 VanDerWaalsContact O-CD 3.31Å; E20-P51 WeakPolarHBondContact O-CD 3.04Å | ||
| 21 | Y | 76.3 | Confident | 68.1 | Low | 172 Ų | 172 | 121 Ų | 121 | 68% | 0.675 | 63% | 0.634 | S | S | * | * | trans | -96.1 | 141.6 | 170.7 | -60.9 | -87.9 | 0 | 0 | 0 | 109.5 | K23 | Y21-K23 PolarHBondContact O-N 2.81Š| ||
| 22 | I | 82.6 | Confident | 69.1 | Low | 33 Ų | 33 | 116 Ų | 116 | 17% | 0.169 | 62% | 0.617 | C | S | . | * | trans | -71.9 | 112.6 | 170.8 | -55.5 | 159.9 | 0 | 0 | 0 | 107.7 | L24 I45 H49 P51 L54 M56 I62 | I22-L24 HydrophobicContact CG2-CD1 4.45Å; I22-L24 HydrophobicContact CG2-CD2 3.75Å; I22-L24 HydrophobicContact CG2-CG 3.97Å; I22-L24 PolarHBondContact O-N 2.9Å; I22-I45 HydrophobicContact CD1-CG2 3.51Å; I22-H49 HydrophobicContact CD1-CB 4.2Å; I22-P51 HydrophobicContact CG1-CG 3.77Å; I22-L54 HydrophobicContact CD1-CD1 3.52Å; I22-M56 HydrophobicContact CD1-CE 4.23Å; I22-M56 HydrophobicContact CD1-SD 4.03Å; I22-M56 HydrophobicContact CG1-SD 4.11Å; I22-M56 HydrophobicContact CG2-SD 4.44Å; I22-I62 HydrophobicContact CG2-CD1 3.96Å | ||
| 23 | K | 81 | Confident | 70.2 | Confident | 198 Ų | 198 | 115.3 Ų | 115.3 | 86% | 0.861 | 61% | 0.611 | S | S | * | * | trans | -91.9 | 101.8 | -179.7 | -170.1 | 173.2 | -173.3 | 171.7 | 0 | 110.9 | Y21 | Y21-K23 PolarHBondContact O-N 2.81Š| ||
| 24 | L | 81.1 | Confident | 71.3 | Confident | 51 Ų | 51 | 114.1 Ų | 114.1 | 27% | 0.267 | 61% | 0.606 | S | S | . | * | trans | -96.5 | 125.1 | 178.8 | -56.3 | 172.4 | 0 | 0 | 0 | 110.6 | I22 F38 I62 | I22-L24 HydrophobicContact CG2-CD1 4.45Å; I22-L24 HydrophobicContact CG2-CD2 3.75Å; I22-L24 HydrophobicContact CG2-CG 3.97Å; I22-L24 PolarHBondContact O-N 2.9Å; L24-F38 HydrophobicContact CB-CE1 4.17Å; L24-F38 HydrophobicContact CB-CZ 4.48Å; L24-F38 HydrophobicContact CD1-CB 3.98Å; L24-F38 HydrophobicContact CD1-CD1 3.48Å; L24-F38 VanDerWaalsContact CD1-CD1 3.48Å; L24-F38 HydrophobicContact CD1-CD2 3.88Å; L24-F38 HydrophobicContact CD1-CE1 3.84Å; L24-F38 HydrophobicContact CD1-CE2 4.22Å; L24-F38 HydrophobicContact CD1-CG 3.5Å; L24-F38 VanDerWaalsContact CD1-CG 3.5Å; L24-F38 HydrophobicContact CD1-CZ 4.2Å; L24-F38 HydrophobicContact CD2-CD1 4.48Å; L24-F38 HydrophobicContact CG-CD1 4.38Å; L24-F38 HydrophobicContact CG-CE1 4.47Å; L24-I62 HydrophobicContact CD2-CD1 3.44Å; L24-I62 VanDerWaalsContact CD2-CD1 3.44Å; L24-I62 HydrophobicContact CD2-CG2 4.34Å | ||
| 25 | K | 79 | Confident | 72.6 | Confident | 182 Ų | 182 | 113.3 Ų | 113.3 | 79% | 0.791 | 60% | 0.595 | S | S | * | * | trans | -117.1 | 113.1 | 176 | -174.7 | 178.2 | 179.2 | -177.8 | 0 | 109.9 | ||||
| 26 | V | 77.6 | Confident | 74 | Confident | 56 Ų | 56 | 107.4 Ų | 107.4 | 34% | 0.339 | 56% | 0.563 | S | S | . | * | trans | -83.8 | 121 | 174.5 | -176.3 | 0 | 0 | 0 | 0 | 109.2 | G28 L36 F38 | V26-G28 PolarHBondContact O-N 3.21Å; V26-L36 HydrophobicContact CB-CD1 4.5Å; V26-L36 HydrophobicContact CG1-CD1 4.14Å; V26-L36 HydrophobicContact CG2-CD1 3.58Å; V26-F38 HydrophobicContact CG2-CZ 4.25Å | ||
| 27 | I | 75.5 | Confident | 75.3 | Confident | 161 Ų | 161 | 103.4 Ų | 103.4 | 83% | 0.826 | 54% | 0.543 | S | S | * | . | trans | -97.8 | 68.6 | 177.7 | 52.1 | 163.4 | 0 | 0 | 0 | 110.7 | ||||
| 28 | G | 69.1 | Low | 76.8 | Confident | 47 Ų | 47 | 98.2 Ų | 98.2 | 49% | 0.485 | 52% | 0.521 | S | S | . | . | S | Bend | trans | -162.3 | 127.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | V26 G30 | V26-G28 PolarHBondContact O-N 3.21Å; G28-G30 PolarHBondContact O-N 3.34Å |
| 29 | Q | 61.8 | Low | 78.5 | Confident | 212 Ų | 212 | 91.7 Ų | 91.7 | 99% | 0.991 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | 114.8 | 174.2 | -74 | 179.5 | 5.6 | 0 | 0 | 108.9 | ||
| 30 | G | 72.4 | Confident | 79.9 | Confident | 75 Ų | 75 | 89.1 Ų | 89.1 | 77% | 0.773 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 120.8 | -3.2 | 163.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | G28 | G28-G30 PolarHBondContact O-N 3.34Š|
| 31 | V | 74.7 | Confident | 81.1 | Confident | 54 Ų | 54 | 92.9 Ų | 92.9 | 33% | 0.327 | 48% | 0.479 | S | S | . | . | trans | -99 | 116.2 | 175 | -170.4 | 0 | 0 | 0 | 0 | 109.7 | S35 L36 Q66 | V31-S35 WeakPolarHBondContact CG1-OG 3.39Å; V31-L36 HydrophobicContact CG1-CD1 4.16Å; V31-L36 HydrophobicContact CG1-CD2 3.58Å; V31-L36 HydrophobicContact CG1-CG 3.85Å; V31-Q66 HydrophobicContact CG1-CG 4.35Å | ||
| 32 | P | 80.6 | Confident | 81.8 | Confident | 80 Ų | 80 | 87.4 Ų | 87.4 | 52% | 0.519 | 47% | 0.474 | S | S | . | . | trans | -66.7 | 138 | 177.1 | 23.8 | -27.2 | 0 | 0 | 0 | 110.3 | N34 S35 | P32-N34 PolarHBondContact O-N 3.34Å; P32-N34 VanDerWaalsContact O-N 3.14Å; P32-S35 WeakPolarHBondContact CD-OG 3.33Å; P32-S35 WeakPolarHBondContact CG-OG 3.31Å; P32-S35 PolarHBondContact O-N 3.21Å; P32-S35 PolarHBondContact O-OG 3.25Å | ||
| 33 | M | 79 | Confident | 82.2 | Confident | 112 Ų | 112 | 91 Ų | 91 | 55% | 0.552 | 49% | 0.491 | S | S | * | . | G | 310 helix | trans | -58 | -32.3 | -178.8 | -64.4 | -173.2 | 76.7 | 0 | 0 | 112.5 | S35 L36 | M33-S35 PolarHBondContact O-N 3.38Å; M33-L36 WeakPolarHBondContact O-CB 3.23Å; M33-L36 PolarHBondContact O-N 2.81Å; M33-L36 VanDerWaalsContact O-N 3.13Å |
| 34 | N | 80.6 | Confident | 82.6 | Confident | 147 Ų | 147 | 87.8 Ų | 87.8 | 79% | 0.786 | 47% | 0.473 | S | S | * | . | G | 310 helix | trans | -71.9 | -12 | 178.4 | -59.3 | -6 | 0 | 0 | 0 | 113.6 | P32 L36 | P32-N34 PolarHBondContact O-N 3.34Å; P32-N34 VanDerWaalsContact O-N 3.14Å; N34-L36 VanDerWaalsContact C-N 3.33Å |
| 35 | S | 83.9 | Confident | 83.2 | Confident | 16 Ų | 16 | 86.1 Ų | 86.1 | 11% | 0.112 | 46% | 0.464 | C | S | . | . | G | 310 helix | trans | -98.2 | 18.3 | 171.8 | 75 | 0 | 0 | 0 | 0 | 111.8 | V31 P32 M33 Q66 E67 | V31-S35 WeakPolarHBondContact CG1-OG 3.39Å; P32-S35 WeakPolarHBondContact CD-OG 3.33Å; P32-S35 WeakPolarHBondContact CG-OG 3.31Å; P32-S35 PolarHBondContact O-N 3.21Å; P32-S35 PolarHBondContact O-OG 3.25Å; M33-S35 PolarHBondContact O-N 3.38Å; S35-Q66 CarbonylContact O-C 3.42Å; S35-Q66 VanDerWaalsContact O-CA 3.24Å; S35-Q66 WeakPolarHBondContact O-CA 3.26Å; S35-E67 PolarHBondContact O-N 2.76Å |
| 36 | L | 88 | Confident | 83.5 | Confident | 16 Ų | 16 | 79.3 Ų | 79.3 | 8% | 0.084 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 143.5 | 178.6 | -64.1 | 177.1 | 0 | 0 | 0 | 110.5 | V26 V31 M33 N34 F38 V64 Y65 Q66 | V26-L36 HydrophobicContact CB-CD1 4.5Å; V26-L36 HydrophobicContact CG1-CD1 4.14Å; V26-L36 HydrophobicContact CG2-CD1 3.58Å; V31-L36 HydrophobicContact CG1-CD1 4.16Å; V31-L36 HydrophobicContact CG1-CD2 3.58Å; V31-L36 HydrophobicContact CG1-CG 3.85Å; M33-L36 WeakPolarHBondContact O-CB 3.23Å; M33-L36 PolarHBondContact O-N 2.81Å; M33-L36 VanDerWaalsContact O-N 3.13Å; N34-L36 VanDerWaalsContact C-N 3.33Å; L36-F38 HydrophobicContact CB-CE2 3.88Å; L36-F38 HydrophobicContact CB-CZ 3.92Å; L36-F38 HydrophobicContact CD1-CZ 4.07Å; L36-V64 HydrophobicContact CB-CG1 4.15Å; L36-V64 HydrophobicContact CD1-CG1 4.15Å; L36-V64 HydrophobicContact CD2-CG1 3.93Å; L36-V64 HydrophobicContact CG-CG1 4.31Å; L36-Y65 CarbonylContact C-O 3.59Å; L36-Y65 VanDerWaalsContact CA-O 3.31Å; L36-Y65 WeakPolarHBondContact CA-O 3.37Å; L36-Q66 HydrophobicContact CD2-CG 3.87Å |
| 37 | R | 89.6 | Confident | 83.8 | Confident | 94 Ų | 94 | 84.5 Ų | 84.5 | 36% | 0.355 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 124.8 | 171.9 | -176 | -179.8 | -61.2 | 155.5 | 1.6 | 108.3 | L39 R44 V64 Y65 E67 | R37-L39 HydrophobicContact CG-CD2 4.02Å; R37-R44 HydrophobicContact CG-CG 4.34Å; R37-V64 WeakPolarHBondContact O-CA 3.44Å; R37-Y65 PolarHBondContact N-O 2.85Å; R37-Y65 PolarHBondContact O-N 2.75Å; R37-E67 IonicContact CZ-OE1 2.94Å; R37-E67 IonicContact NE-OE1 2.77Å; R37-E67 PolarHBondContact NE-OE1 2.93Å; R37-E67 IonicContact NH2-OE1 3.66Å; R37-E67 PolarHBondContact NH2-OE1 3.14Å |
| 38 | F | 90.9 | Very high | 84.3 | Confident | 27 Ų | 27 | 82.7 Ų | 82.7 | 12% | 0.118 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 126.8 | 178.6 | -57.7 | -87.2 | 0 | 0 | 0 | 109.1 | L24 V26 L36 I45 I62 E63 V64 | L24-F38 HydrophobicContact CB-CE1 4.17Å; L24-F38 HydrophobicContact CB-CZ 4.48Å; L24-F38 HydrophobicContact CD1-CB 3.98Å; L24-F38 HydrophobicContact CD1-CD1 3.48Å; L24-F38 VanDerWaalsContact CD1-CD1 3.48Å; L24-F38 HydrophobicContact CD1-CD2 3.88Å; L24-F38 HydrophobicContact CD1-CE1 3.84Å; L24-F38 HydrophobicContact CD1-CE2 4.22Å; L24-F38 HydrophobicContact CD1-CG 3.5Å; L24-F38 VanDerWaalsContact CD1-CG 3.5Å; L24-F38 HydrophobicContact CD1-CZ 4.2Å; L24-F38 HydrophobicContact CD2-CD1 4.48Å; L24-F38 HydrophobicContact CG-CD1 4.38Å; L24-F38 HydrophobicContact CG-CE1 4.47Å; V26-F38 HydrophobicContact CG2-CZ 4.25Å; L36-F38 HydrophobicContact CB-CE2 3.88Å; L36-F38 HydrophobicContact CB-CZ 3.92Å; L36-F38 HydrophobicContact CD1-CZ 4.07Å; F38-I45 HydrophobicContact CB-CB 4.31Å; F38-I45 HydrophobicContact CB-CD1 4.05Å; F38-I45 PolarHBondContact O-N 3.04Å; F38-I62 HydrophobicContact CB-CG2 4.07Å; F38-I62 HydrophobicContact CD1-CG2 4.19Å; F38-E63 CarbonylContact C-O 3.58Å; F38-E63 WeakPolarHBondContact CA-O 3.19Å; F38-V64 HydrophobicContact CD1-CB 4.35Å; F38-V64 HydrophobicContact CD1-CG1 4Å; F38-V64 HydrophobicContact CD1-CG2 3.62Å; F38-V64 HydrophobicContact CE1-CB 4.42Å; F38-V64 HydrophobicContact CE1-CG1 3.75Å; F38-V64 HydrophobicContact CE1-CG2 3.78Å; F38-V64 HydrophobicContact CZ-CG1 4.35Å |
| 39 | L | 92.7 | Very high | 85.2 | Confident | 27 Ų | 27 | 82.3 Ų | 82.3 | 14% | 0.141 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 140.3 | 177.2 | -54.1 | -179.4 | 0 | 0 | 0 | 110.2 | R37 Q43 R44 E63 Y65 | R37-L39 HydrophobicContact CG-CD2 4.02Å; L39-Q43 CarbonylContact C-O 3.5Å; L39-Q43 VanDerWaalsContact CA-O 3.23Å; L39-Q43 WeakPolarHBondContact CA-O 3.34Å; L39-R44 HydrophobicContact CD2-CB 4.02Å; L39-E63 HydrophobicContact CB-CB 4.3Å; L39-E63 PolarHBondContact N-O 2.72Å; L39-E63 PolarHBondContact O-N 3.16Å; L39-Y65 HydrophobicContact CD1-CD2 3.86Å; L39-Y65 HydrophobicContact CD1-CE2 3.6Å; L39-Y65 HydrophobicContact CG-CD2 4.23Å; L39-Y65 HydrophobicContact CG-CE2 4.26Å |
| 40 | F | 93.1 | Very high | 86.5 | Confident | 12 Ų | 12 | 73 Ų | 73 | 5% | 0.053 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 124.2 | 166.9 | 178.4 | -107.6 | 0 | 0 | 0 | 108.1 | G42 Q43 I45 L54 M56 D60 | F40-G42 PolarHBondContact O-N 3.2Å; F40-Q43 PolarHBondContact N-O 3.45Å; F40-Q43 WeakPolarHBondContact O-CA 3.31Å; F40-Q43 WeakPolarHBondContact O-CB 3.47Å; F40-Q43 PolarHBondContact O-N 2.76Å; F40-I45 HydrophobicContact CB-CD1 3.9Å; F40-I45 HydrophobicContact CB-CG1 4Å; F40-L54 HydrophobicContact CD1-CB 4.06Å; F40-L54 HydrophobicContact CE1-CB 4.28Å; F40-L54 VanDerWaalsContact CE1-O 3.23Å; F40-L54 WeakPolarHBondContact CE1-O 3.4Å; F40-M56 HydrophobicContact CB-CE 3.46Å; F40-M56 VanDerWaalsContact CB-CE 3.46Å; F40-M56 HydrophobicContact CD1-CE 3.98Å; F40-M56 HydrophobicContact CD1-CG 4.15Å; F40-M56 HydrophobicContact CD2-CE 3.51Å; F40-M56 HydrophobicContact CD2-CG 4.03Å; F40-M56 HydrophobicContact CE1-CG 3.91Å; F40-M56 HydrophobicContact CE2-CE 4.22Å; F40-M56 HydrophobicContact CE2-CG 3.78Å; F40-M56 HydrophobicContact CG-CE 3.35Å; F40-M56 HydrophobicContact CG-CG 4.2Å; F40-M56 HydrophobicContact CZ-CB 4.47Å; F40-M56 HydrophobicContact CZ-CG 3.7Å; F40-D60 HydrophobicContact CE2-CB 3.88Å; F40-D60 WeakPolarHBondContact CE2-OD2 3.24Å; F40-D60 WeakPolarHBondContact CZ-OD2 3.47Å |
| 41 | E | 93.2 | Very high | 87.2 | Confident | 179 Ų | 179 | 70.6 Ų | 70.6 | 84% | 0.836 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.7 | 33.7 | -173.6 | -57.4 | -163.7 | 134.5 | 0 | 0 | 114 | Q43 | E41-Q43 VanDerWaalsContact C-N 3.27Å; E41-Q43 PolarHBondContact O-N 3.45Å |
| 42 | G | 90.8 | Very high | 87.9 | Confident | 56 Ų | 56 | 76.2 Ų | 76.2 | 58% | 0.577 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.6 | -6.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | F40 | F40-G42 PolarHBondContact O-N 3.2Š|
| 43 | Q | 91.5 | Very high | 88.3 | Confident | 110 Ų | 110 | 76.8 Ų | 76.8 | 51% | 0.514 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 134.5 | 174.2 | -173.8 | 174.8 | -87.5 | 0 | 0 | 111.5 | L39 F40 E41 I45 | L39-Q43 CarbonylContact C-O 3.5Å; L39-Q43 VanDerWaalsContact CA-O 3.23Å; L39-Q43 WeakPolarHBondContact CA-O 3.34Å; F40-Q43 PolarHBondContact N-O 3.45Å; F40-Q43 WeakPolarHBondContact O-CA 3.31Å; F40-Q43 WeakPolarHBondContact O-CB 3.47Å; F40-Q43 PolarHBondContact O-N 2.76Å; E41-Q43 VanDerWaalsContact C-N 3.27Å; E41-Q43 PolarHBondContact O-N 3.45Å; Q43-I45 PolarHBondContact O-N 2.89Å |
| 44 | R | 90.6 | Very high | 88.7 | Confident | 129 Ų | 129 | 72.4 Ų | 72.4 | 49% | 0.487 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 126.6 | 174.1 | -175 | 174.9 | -179.2 | 146.8 | 6.3 | 110.5 | R37 L39 E67 | R37-R44 HydrophobicContact CG-CG 4.34Å; L39-R44 HydrophobicContact CD2-CB 4.02Å; R44-E67 IonicContact CZ-OE1 3.35Å; R44-E67 IonicContact NH1-OE1 3.49Å; R44-E67 PolarHBondContact NH1-OE1 3.29Å; R44-E67 IonicContact NH2-OE1 2.69Å; R44-E67 PolarHBondContact NH2-OE1 3.27Å; R44-E67 IonicContact NH2-OE2 3.86Å; R44-E67 PolarHBondContact NH2-OE2 3.33Å |
| 45 | I | 91.8 | Very high | 89.2 | Confident | 17 Ų | 17 | 67.8 Ų | 67.8 | 9% | 0.087 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -81.6 | 131.2 | 172 | -57.3 | 162.7 | 0 | 0 | 0 | 108.5 | I22 F38 F40 Q43 H49 L54 M56 I62 | I22-I45 HydrophobicContact CD1-CG2 3.51Å; F38-I45 HydrophobicContact CB-CB 4.31Å; F38-I45 HydrophobicContact CB-CD1 4.05Å; F38-I45 PolarHBondContact O-N 3.04Å; F40-I45 HydrophobicContact CB-CD1 3.9Å; F40-I45 HydrophobicContact CB-CG1 4Å; Q43-I45 PolarHBondContact O-N 2.89Å; I45-H49 HydrophobicContact CG2-CB 4.36Å; I45-L54 HydrophobicContact CG1-CD1 4.01Å; I45-L54 HydrophobicContact CG2-CD1 4.34Å; I45-M56 HydrophobicContact CD1-CE 3.73Å; I45-M56 HydrophobicContact CG1-CE 4.31Å; I45-I62 HydrophobicContact CD1-CD1 4Å; I45-I62 HydrophobicContact CD1-CG1 4.19Å; I45-I62 HydrophobicContact CD1-CG2 3.77Å |
| 46 | A | 87.3 | Confident | 89.5 | Confident | 38 Ų | 38 | 68.5 Ų | 68.5 | 31% | 0.314 | 36% | 0.357 | S | S | . | . | trans | -109.2 | 161.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | N48 H49 | A46-N48 WeakPolarHBondContact CB-OD1 3.42Å; A46-N48 PolarHBondContact O-N 2.68Å; A46-N48 VanDerWaalsContact O-N 3.16Å; A46-H49 PolarHBondContact N-ND1 2.95Å; A46-H49 WeakPolarHBondContact O-CB 3.42Å; A46-H49 PolarHBondContact O-N 2.96Å | ||
| 47 | D | 83.9 | Confident | 89.6 | Confident | 165 Ų | 165 | 75.2 Ų | 75.2 | 88% | 0.882 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -21.8 | -175 | -60.1 | -26 | 0 | 0 | 0 | 113.6 | H49 | D47-H49 VanDerWaalsContact C-N 3.34Š|
| 48 | N | 84.6 | Confident | 89.4 | Confident | 123 Ų | 123 | 79.5 Ų | 79.5 | 66% | 0.658 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -4.1 | 176.5 | 66.7 | -45.3 | 0 | 0 | 0 | 113.2 | A46 | A46-N48 WeakPolarHBondContact CB-OD1 3.42Å; A46-N48 PolarHBondContact O-N 2.68Å; A46-N48 VanDerWaalsContact O-N 3.16Å |
| 49 | H | 87.8 | Confident | 89.2 | Confident | 39 Ų | 39 | 87.1 Ų | 87.1 | 18% | 0.181 | 45% | 0.448 | C | S | . | . | trans | -80.3 | 141.6 | -178.8 | -68.2 | 175.5 | 0 | 0 | 0 | 112.9 | I22 I45 A46 D47 E53 L54 | I22-H49 HydrophobicContact CD1-CB 4.2Å; I45-H49 HydrophobicContact CG2-CB 4.36Å; A46-H49 PolarHBondContact N-ND1 2.95Å; A46-H49 WeakPolarHBondContact O-CB 3.42Å; A46-H49 PolarHBondContact O-N 2.96Å; D47-H49 VanDerWaalsContact C-N 3.34Å; H49-E53 WeakPolarHBondContact CA-OE1 3.33Å; H49-E53 WeakPolarHBondContact CB-OE1 3.38Å; H49-E53 IonicContact CD2-OE1 3.56Å; H49-E53 PolarHBondContact CD2-OE1 3.13Å; H49-E53 IonicContact CG-OE1 3.14Å; H49-E53 IonicContact NE2-OE1 3.5Å; H49-L54 HydrophobicContact CB-CD1 4.16Å; H49-L54 HydrophobicContact CB-CG 4.39Å | ||
| 50 | T | 88.9 | Confident | 89.1 | Confident | 16 Ų | 16 | 89.2 Ų | 89.2 | 10% | 0.098 | 46% | 0.459 | C | S | . | . | trans | -105.3 | 148 | 176.4 | 64.4 | 0 | 0 | 0 | 0 | 111.1 | E20 K52 E53 L54 | E20-T50 WeakPolarHBondContact O-CB 3.27Å; E20-T50 WeakPolarHBondContact O-CG2 3.23Å; T50-K52 PolarHBondContact O-N 3.41Å; T50-E53 PolarHBondContact N-OE1 3.35Å; T50-E53 PolarHBondContact N-OE2 3.38Å; T50-E53 VanDerWaalsContact N-OE2 3.13Å; T50-E53 WeakPolarHBondContact O-CG 3.19Å; T50-E53 PolarHBondContact O-N 3.13Å; T50-E53 PolarHBondContact OG1-N 3.32Å; T50-E53 PolarHBondContact OG1-OE2 2.96Å; T50-L54 PolarHBondContact O-N 2.76Å | ||
| 51 | P | 88.4 | Confident | 89 | Confident | 25 Ų | 25 | 94.2 Ų | 94.2 | 16% | 0.162 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -53.4 | -43 | 175.2 | -24.8 | 33.3 | 0 | 0 | 0 | 112.3 | E20 I22 E53 L54 G55 M56 | E20-P51 HydrophobicContact CG-CG 4.14Å; E20-P51 VanDerWaalsContact O-CD 3.31Å; E20-P51 WeakPolarHBondContact O-CD 3.04Å; I22-P51 HydrophobicContact CG1-CG 3.77Å; P51-E53 PolarHBondContact O-N 2.88Å; P51-L54 CarbonylContact O-C 3.55Å; P51-L54 PolarHBondContact O-N 3.3Å; P51-G55 PolarHBondContact O-N 3.19Å; P51-M56 HydrophobicContact CB-CB 3.99Å; P51-M56 HydrophobicContact CB-SD 4.37Å; P51-M56 PolarHBondContact O-N 2.77Å |
| 52 | K | 88.1 | Confident | 88.9 | Confident | 173 Ų | 173 | 87.7 Ų | 87.7 | 75% | 0.752 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -59.2 | -38.8 | 179.7 | -176.8 | 175.1 | -179.9 | 176.7 | 0 | 114.2 | T50 L54 G55 | T50-K52 PolarHBondContact O-N 3.41Å; K52-L54 VanDerWaalsContact C-N 3.35Å; K52-G55 PolarHBondContact O-N 3.5Å |
| 53 | E | 88.8 | Confident | 88.9 | Confident | 91 Ų | 91 | 89.4 Ų | 89.4 | 43% | 0.425 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -77.2 | -26.5 | -179.3 | 85.6 | -159.5 | -153.6 | 0 | 0 | 112.7 | H49 T50 P51 | H49-E53 WeakPolarHBondContact CA-OE1 3.33Å; H49-E53 WeakPolarHBondContact CB-OE1 3.38Å; H49-E53 IonicContact CD2-OE1 3.56Å; H49-E53 PolarHBondContact CD2-OE1 3.13Å; H49-E53 IonicContact CG-OE1 3.14Å; H49-E53 IonicContact NE2-OE1 3.5Å; T50-E53 PolarHBondContact N-OE1 3.35Å; T50-E53 PolarHBondContact N-OE2 3.38Å; T50-E53 VanDerWaalsContact N-OE2 3.13Å; T50-E53 WeakPolarHBondContact O-CG 3.19Å; T50-E53 PolarHBondContact O-N 3.13Å; T50-E53 PolarHBondContact OG1-N 3.32Å; T50-E53 PolarHBondContact OG1-OE2 2.96Å; P51-E53 PolarHBondContact O-N 2.88Å |
| 54 | L | 88.9 | Confident | 88.7 | Confident | 21 Ų | 21 | 87.7 Ų | 87.7 | 11% | 0.11 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -80.8 | -10.9 | 172.8 | -63.6 | -178.4 | 0 | 0 | 0 | 111.5 | I22 F40 I45 H49 T50 P51 K52 M56 | I22-L54 HydrophobicContact CD1-CD1 3.52Å; F40-L54 HydrophobicContact CD1-CB 4.06Å; F40-L54 HydrophobicContact CE1-CB 4.28Å; F40-L54 VanDerWaalsContact CE1-O 3.23Å; F40-L54 WeakPolarHBondContact CE1-O 3.4Å; I45-L54 HydrophobicContact CG1-CD1 4.01Å; I45-L54 HydrophobicContact CG2-CD1 4.34Å; H49-L54 HydrophobicContact CB-CD1 4.16Å; H49-L54 HydrophobicContact CB-CG 4.39Å; T50-L54 PolarHBondContact O-N 2.76Å; P51-L54 CarbonylContact O-C 3.55Å; P51-L54 PolarHBondContact O-N 3.3Å; K52-L54 VanDerWaalsContact C-N 3.35Å; L54-M56 VanDerWaalsContact C-N 3.26Å; L54-M56 HydrophobicContact CB-CE 4.45Å; L54-M56 HydrophobicContact CB-CG 3.97Å; L54-M56 HydrophobicContact CB-SD 4.4Å; L54-M56 HydrophobicContact CD1-CE 3.58Å; L54-M56 HydrophobicContact CD1-SD 4.08Å |
| 55 | G | 89.9 | Confident | 88.6 | Confident | 49 Ų | 49 | 87.3 Ų | 87.3 | 51% | 0.505 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69 | 27.6 | -174 | 0 | 0 | 0 | 0 | 0 | 112.5 | P51 K52 | P51-G55 PolarHBondContact O-N 3.19Å; K52-G55 PolarHBondContact O-N 3.5Å |
| 56 | M | 90.3 | Very high | 88.3 | Confident | 31 Ų | 31 | 93.5 Ų | 93.5 | 15% | 0.153 | 48% | 0.479 | C | S | . | . | trans | -69.8 | 133.1 | 178.6 | -75.7 | 175.7 | 169.3 | 0 | 0 | 111.1 | I22 F40 I45 P51 L54 D60 I62 | I22-M56 HydrophobicContact CD1-CE 4.23Å; I22-M56 HydrophobicContact CD1-SD 4.03Å; I22-M56 HydrophobicContact CG1-SD 4.11Å; I22-M56 HydrophobicContact CG2-SD 4.44Å; F40-M56 HydrophobicContact CB-CE 3.46Å; F40-M56 VanDerWaalsContact CB-CE 3.46Å; F40-M56 HydrophobicContact CD1-CE 3.98Å; F40-M56 HydrophobicContact CD1-CG 4.15Å; F40-M56 HydrophobicContact CD2-CE 3.51Å; F40-M56 HydrophobicContact CD2-CG 4.03Å; F40-M56 HydrophobicContact CE1-CG 3.91Å; F40-M56 HydrophobicContact CE2-CE 4.22Å; F40-M56 HydrophobicContact CE2-CG 3.78Å; F40-M56 HydrophobicContact CG-CE 3.35Å; F40-M56 HydrophobicContact CG-CG 4.2Å; F40-M56 HydrophobicContact CZ-CB 4.47Å; F40-M56 HydrophobicContact CZ-CG 3.7Å; I45-M56 HydrophobicContact CD1-CE 3.73Å; I45-M56 HydrophobicContact CG1-CE 4.31Å; P51-M56 HydrophobicContact CB-CB 3.99Å; P51-M56 HydrophobicContact CB-SD 4.37Å; P51-M56 PolarHBondContact O-N 2.77Å; L54-M56 VanDerWaalsContact C-N 3.26Å; L54-M56 HydrophobicContact CB-CE 4.45Å; L54-M56 HydrophobicContact CB-CG 3.97Å; L54-M56 HydrophobicContact CB-SD 4.4Å; L54-M56 HydrophobicContact CD1-CE 3.58Å; L54-M56 HydrophobicContact CD1-SD 4.08Å; M56-D60 VanDerWaalsContact CA-OD2 3.27Å; M56-D60 WeakPolarHBondContact CA-OD2 3.48Å; M56-I62 HydrophobicContact CE-CD1 3.74Å; M56-I62 HydrophobicContact CE-CG1 3.96Å; M56-I62 HydrophobicContact SD-CD1 4.43Å | ||
| 57 | E | 90.8 | Very high | 88.1 | Confident | 157 Ų | 157 | 93.8 Ų | 93.8 | 73% | 0.734 | 47% | 0.474 | S | S | * | . | trans | -105.2 | 172.1 | 173.2 | -61.6 | -169.2 | 168.7 | 0 | 0 | 111.4 | D60 | E57-D60 PolarHBondContact N-OD2 2.94Å; E57-D60 WeakPolarHBondContact O-CB 3.49Å; E57-D60 PolarHBondContact O-N 3.35Å | ||
| 58 | E | 84.9 | Confident | 87.5 | Confident | 185 Ų | 185 | 94.2 Ų | 94.2 | 86% | 0.864 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | 140.8 | 171.7 | -166.1 | 169.5 | -166.3 | 0 | 0 | 109.3 | D60 | E58-D60 VanDerWaalsContact C-N 3.26Å; E58-D60 PolarHBondContact O-N 3.49Å |
| 59 | E | 87.3 | Confident | 86.6 | Confident | 187 Ų | 187 | 93.5 Ų | 93.5 | 87% | 0.874 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74 | 2.6 | -177.4 | -42.7 | -173.8 | 140.9 | 0 | 0 | 116.3 | ||
| 60 | D | 91.1 | Very high | 85.4 | Confident | 71 Ų | 71 | 94.6 Ų | 94.6 | 38% | 0.38 | 49% | 0.493 | S | S | . | . | trans | -60.6 | 146.7 | 173.4 | -91.1 | -14.1 | 0 | 0 | 0 | 113.4 | F40 M56 E57 E58 | F40-D60 HydrophobicContact CE2-CB 3.88Å; F40-D60 WeakPolarHBondContact CE2-OD2 3.24Å; F40-D60 WeakPolarHBondContact CZ-OD2 3.47Å; M56-D60 VanDerWaalsContact CA-OD2 3.27Å; M56-D60 WeakPolarHBondContact CA-OD2 3.48Å; E57-D60 PolarHBondContact N-OD2 2.94Å; E57-D60 WeakPolarHBondContact O-CB 3.49Å; E57-D60 PolarHBondContact O-N 3.35Å; E58-D60 VanDerWaalsContact C-N 3.26Å; E58-D60 PolarHBondContact O-N 3.49Å | ||
| 61 | V | 89.5 | Confident | 83.9 | Confident | 116 Ų | 116 | 96.8 Ų | 96.8 | 70% | 0.703 | 52% | 0.518 | S | S | * | . | trans | -100.8 | 130.7 | -175.2 | -178.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 62 | I | 91.1 | Very high | 82.4 | Confident | 43 Ų | 43 | 104.1 Ų | 104.1 | 22% | 0.221 | 55% | 0.55 | C | S | . | * | trans | -107.4 | 124.7 | 173.1 | -63.6 | 174.9 | 0 | 0 | 0 | 108.3 | I22 L24 F38 I45 M56 | I22-I62 HydrophobicContact CG2-CD1 3.96Å; L24-I62 HydrophobicContact CD2-CD1 3.44Å; L24-I62 VanDerWaalsContact CD2-CD1 3.44Å; L24-I62 HydrophobicContact CD2-CG2 4.34Å; F38-I62 HydrophobicContact CB-CG2 4.07Å; F38-I62 HydrophobicContact CD1-CG2 4.19Å; I45-I62 HydrophobicContact CD1-CD1 4Å; I45-I62 HydrophobicContact CD1-CG1 4.19Å; I45-I62 HydrophobicContact CD1-CG2 3.77Å; M56-I62 HydrophobicContact CE-CD1 3.74Å; M56-I62 HydrophobicContact CE-CG1 3.96Å; M56-I62 HydrophobicContact SD-CD1 4.43Å | ||
| 63 | E | 91.1 | Very high | 80.7 | Confident | 91 Ų | 91 | 100.9 Ų | 100.9 | 43% | 0.425 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 138.6 | 174.7 | -56.8 | -175.9 | 168 | 0 | 0 | 110.1 | F38 L39 Y65 | F38-E63 CarbonylContact C-O 3.58Å; F38-E63 WeakPolarHBondContact CA-O 3.19Å; L39-E63 HydrophobicContact CB-CB 4.3Å; L39-E63 PolarHBondContact N-O 2.72Å; L39-E63 PolarHBondContact O-N 3.16Å; E63-Y65 HydrophobicContact CB-CD2 4.46Å; E63-Y65 HydrophobicContact CB-CE2 3.71Å; E63-Y65 WeakPolarHBondContact OE2-CE2 3.36Å; E63-Y65 PolarHBondContact OE2-OH 2.92Å |
| 64 | V | 88.3 | Confident | 79.1 | Confident | 75 Ų | 75 | 102.3 Ų | 102.3 | 46% | 0.455 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -125.3 | 119 | -178.7 | -169.1 | 0 | 0 | 0 | 0 | 109.6 | L36 R37 F38 | L36-V64 HydrophobicContact CB-CG1 4.15Å; L36-V64 HydrophobicContact CD1-CG1 4.15Å; L36-V64 HydrophobicContact CD2-CG1 3.93Å; L36-V64 HydrophobicContact CG-CG1 4.31Å; R37-V64 WeakPolarHBondContact O-CA 3.44Å; F38-V64 HydrophobicContact CD1-CB 4.35Å; F38-V64 HydrophobicContact CD1-CG1 4Å; F38-V64 HydrophobicContact CD1-CG2 3.62Å; F38-V64 HydrophobicContact CE1-CB 4.42Å; F38-V64 HydrophobicContact CE1-CG1 3.75Å; F38-V64 HydrophobicContact CE1-CG2 3.78Å; F38-V64 HydrophobicContact CZ-CG1 4.35Å |
| 65 | Y | 87.1 | Confident | 77.6 | Confident | 120 Ų | 120 | 111.1 Ų | 111.1 | 47% | 0.471 | 62% | 0.618 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -112.8 | 147.5 | 175.7 | -62.8 | -89.7 | 0 | 0 | 0 | 109.9 | L36 R37 L39 E63 E67 | L36-Y65 CarbonylContact C-O 3.59Å; L36-Y65 VanDerWaalsContact CA-O 3.31Å; L36-Y65 WeakPolarHBondContact CA-O 3.37Å; R37-Y65 PolarHBondContact N-O 2.85Å; R37-Y65 PolarHBondContact O-N 2.75Å; L39-Y65 HydrophobicContact CD1-CD2 3.86Å; L39-Y65 HydrophobicContact CD1-CE2 3.6Å; L39-Y65 HydrophobicContact CG-CD2 4.23Å; L39-Y65 HydrophobicContact CG-CE2 4.26Å; E63-Y65 HydrophobicContact CB-CD2 4.46Å; E63-Y65 HydrophobicContact CB-CE2 3.71Å; E63-Y65 WeakPolarHBondContact OE2-CE2 3.36Å; E63-Y65 PolarHBondContact OE2-OH 2.92Å; Y65-E67 PolarHBondContact O-N 3.48Å |
| 66 | Q | 86 | Confident | 76.9 | Confident | 147 Ų | 147 | 114.2 Ų | 114.2 | 69% | 0.687 | 62% | 0.624 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -71.7 | 120.4 | 165.3 | -77 | -179.5 | 76.4 | 0 | 0 | 108.8 | V31 S35 L36 Q68 | V31-Q66 HydrophobicContact CG1-CG 4.35Å; S35-Q66 CarbonylContact O-C 3.42Å; S35-Q66 VanDerWaalsContact O-CA 3.24Å; S35-Q66 WeakPolarHBondContact O-CA 3.26Å; L36-Q66 HydrophobicContact CD2-CG 3.87Å; Q66-Q68 PolarHBondContact O-N 3.5Å |
| 67 | E | 82.8 | Confident | 76.2 | Confident | 45 Ų | 45 | 118.6 Ų | 118.6 | 21% | 0.21 | 65% | 0.649 | C | S | . | * | trans | -67.5 | 113.2 | 170.3 | -174.5 | 152.2 | -119.8 | 0 | 0 | 107.7 | S35 R37 R44 Y65 T69 | S35-E67 PolarHBondContact O-N 2.76Å; R37-E67 IonicContact CZ-OE1 2.94Å; R37-E67 IonicContact NE-OE1 2.77Å; R37-E67 PolarHBondContact NE-OE1 2.93Å; R37-E67 IonicContact NH2-OE1 3.66Å; R37-E67 PolarHBondContact NH2-OE1 3.14Å; R44-E67 IonicContact CZ-OE1 3.35Å; R44-E67 IonicContact NH1-OE1 3.49Å; R44-E67 PolarHBondContact NH1-OE1 3.29Å; R44-E67 IonicContact NH2-OE1 2.69Å; R44-E67 PolarHBondContact NH2-OE1 3.27Å; R44-E67 IonicContact NH2-OE2 3.86Å; R44-E67 PolarHBondContact NH2-OE2 3.33Å; Y65-E67 PolarHBondContact O-N 3.48Å; E67-T69 VanDerWaalsContact C-N 3.3Å; E67-T69 HydrophobicContact CG-CG2 4.5Å; E67-T69 PolarHBondContact O-N 2.86Å; E67-T69 PolarHBondContact O-OG1 2.78Å | ||
| 68 | Q | 72.6 | Confident | 75.4 | Confident | 173 Ų | 173 | 116.4 Ų | 116.4 | 81% | 0.808 | 64% | 0.644 | S | S | * | * | trans | -70.7 | 87.7 | 178.4 | -173.5 | -177.2 | -6.9 | 0 | 0 | 109.7 | Q66 G70 | Q66-Q68 PolarHBondContact O-N 3.5Å; Q68-G70 PolarHBondContact O-N 2.69Å | ||
| 69 | T | 65.1 | Low | 74.9 | Confident | 109 Ų | 109 | 112.4 Ų | 112.4 | 67% | 0.669 | 63% | 0.631 | S | S | * | * | trans | -86.8 | 81.3 | 169.4 | 32.9 | 0 | 0 | 0 | 0 | 109.7 | E67 | E67-T69 VanDerWaalsContact C-N 3.3Å; E67-T69 HydrophobicContact CG-CG2 4.5Å; E67-T69 PolarHBondContact O-N 2.86Å; E67-T69 PolarHBondContact O-OG1 2.78Å | ||
| 70 | G | 61.7 | Low | 74.1 | Confident | 62 Ų | 62 | 107.8 Ų | 107.8 | 64% | 0.639 | 62% | 0.616 | S | S | * | * | trans | 87.4 | 122.9 | 166.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q68 H72 | Q68-G70 PolarHBondContact O-N 2.69Å; G70-H72 PolarHBondContact O-N 3.4Å | ||
| 71 | G | 58.2 | Low | 73 | Confident | 62 Ų | 62 | 110.2 Ų | 110.2 | 64% | 0.639 | 63% | 0.632 | S | S | * | * | trans | -69.7 | 114.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110 | S73 | G71-S73 PolarHBondContact O-N 3.09Š| ||
| 72 | H | 56.8 | Low | 71.8 | Confident | 179 Ų | 179 | 109.8 Ų | 109.8 | 83% | 0.829 | 63% | 0.626 | S | S | * | * | trans | -72 | 73.3 | 163.9 | -119.6 | -98.3 | 0 | 0 | 0 | 108.3 | G70 T74 | G70-H72 PolarHBondContact O-N 3.4Å; H72-T74 PolarHBondContact O-N 3.02Å | ||
| 73 | S | 53 | Low | 70.3 | Confident | 104 Ų | 104 | 114.9 Ų | 114.9 | 73% | 0.727 | 66% | 0.658 | S | S | * | * | trans | -74.3 | 81.2 | 159 | -76.7 | 0 | 0 | 0 | 0 | 107.1 | G71 V75 | G71-S73 PolarHBondContact O-N 3.09Å; S73-V75 VanDerWaalsContact C-N 3.25Å; S73-V75 PolarHBondContact O-N 2.86Å; S73-V75 VanDerWaalsContact O-N 3.09Å | ||
| 74 | T | 54.1 | Low | 68.6 | Low | 121 Ų | 121 | 116.9 Ų | 116.9 | 74% | 0.742 | 68% | 0.677 | S | S | * | * | trans | -68.3 | 95.7 | 152.2 | 36.6 | 0 | 0 | 0 | 0 | 106.5 | H72 | H72-T74 PolarHBondContact O-N 3.02Š| ||
| 75 | V | 57.2 | Low | 66.8 | Low | 206 Ų | 206 | 120.7 Ų | 120.7 | 100% | 1.248 | 70% | 0.697 | S | S | * | * | trans | -72.7 | 0 | 157 | -71 | 0 | 0 | 0 | 0 | 110.2 | S73 | S73-V75 VanDerWaalsContact C-N 3.25Å; S73-V75 PolarHBondContact O-N 2.86Å; S73-V75 VanDerWaalsContact O-N 3.09Å |
Retrieved 75 of 75 residues in 52.8 ms
(Link to these results)