| 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 | 40.9 | Very low | 51 | Low | 232 Ų | 232 | 155.5 Ų | 155.5 | 100% | 1.143 | 76% | 0.761 | S | S | * | * | 0 | 104.3 | 0 | -69.2 | -173.7 | 169.4 | 0 | 0 | 106.7 | |||||
| 2 | D | 46.4 | Very low | 51.5 | Low | 129 Ų | 129 | 152.8 Ų | 152.8 | 69% | 0.69 | 75% | 0.752 | S | S | * | * | trans | 53.9 | 72.3 | 155.8 | -47.2 | -64.8 | 0 | 0 | 0 | 118.1 | R4 | D2-R4 PolarHBondContact O-N 3.11Š| ||
| 3 | N | 47.6 | Very low | 51.9 | Low | 160 Ų | 160 | 153.3 Ų | 153.3 | 86% | 0.856 | 76% | 0.76 | S | S | * | * | trans | -66.2 | 72.7 | 146.9 | 51.8 | -1.9 | 0 | 0 | 0 | 109.3 | K5 | N3-K5 PolarHBondContact O-N 3.04Š| ||
| 4 | R | 51.9 | Low | 51.8 | Low | 214 Ų | 214 | 152.7 Ų | 152.7 | 81% | 0.808 | 76% | 0.761 | S | S | * | * | trans | -62.7 | 88 | 165.6 | -87.9 | -177 | 165.8 | 130.6 | -2.7 | 107.5 | D2 E6 | D2-R4 PolarHBondContact O-N 3.11Å; R4-E6 PolarHBondContact O-N 2.6Å | ||
| 5 | K | 54.6 | Low | 52 | Low | 199 Ų | 199 | 148.5 Ų | 148.5 | 87% | 0.865 | 74% | 0.74 | S | S | * | * | trans | -63.8 | 90.6 | 164.9 | -142.6 | 170.1 | -173.7 | 174.6 | 0 | 104.3 | N3 P7 | N3-K5 PolarHBondContact O-N 3.04Å; K5-P7 VanDerWaalsContact O-N 3.15Å | ||
| 6 | E | 55.9 | Low | 52.2 | Low | 138 Ų | 138 | 141.3 Ų | 141.3 | 65% | 0.645 | 72% | 0.715 | S | S | * | * | trans | -49.6 | 123.6 | 175.2 | -56.2 | -172.3 | 168.7 | 0 | 0 | 106 | R4 F9 | R4-E6 PolarHBondContact O-N 2.6Å; E6-F9 HydrophobicContact CB-CD2 4.37Å; E6-F9 HydrophobicContact CB-CE2 3.9Å; E6-F9 WeakPolarHBondContact OE2-CE2 3.35Å | ||
| 7 | P | 57.9 | Low | 52.5 | Low | 101 Ų | 101 | 136.6 Ų | 136.6 | 66% | 0.656 | 70% | 0.696 | S | S | * | * | trans | -52.9 | 138.3 | 177 | 23.4 | -30.9 | 0 | 0 | 0 | 106.1 | K5 F9 | K5-P7 VanDerWaalsContact O-N 3.15Å; P7-F9 VanDerWaalsContact C-N 3.31Å; P7-F9 PolarHBondContact O-N 2.92Å | ||
| 8 | P | 57.1 | Low | 52.6 | Low | 122 Ų | 122 | 136.7 Ų | 136.7 | 79% | 0.792 | 69% | 0.691 | S | S | * | * | trans | -55.3 | 105.4 | -173 | 23.8 | -31.5 | 0 | 0 | 0 | 106.4 | F10 | P8-F10 PolarHBondContact O-N 3.28Š| ||
| 9 | F | 52.4 | Low | 52.7 | Low | 133 Ų | 133 | 139.8 Ų | 139.8 | 58% | 0.583 | 70% | 0.695 | S | S | * | * | trans | -50.7 | 122.7 | 171.7 | -78.3 | -86.5 | 0 | 0 | 0 | 103.5 | E6 P7 N11 | E6-F9 HydrophobicContact CB-CD2 4.37Å; E6-F9 HydrophobicContact CB-CE2 3.9Å; E6-F9 WeakPolarHBondContact OE2-CE2 3.35Å; P7-F9 VanDerWaalsContact C-N 3.31Å; P7-F9 PolarHBondContact O-N 2.92Å; F9-N11 PolarHBondContact O-N 3.11Å; F9-N11 PolarHBondContact O-ND2 3.47Å; F9-N11 VanDerWaalsContact O-ND2 3.11Å | ||
| 10 | F | 48.2 | Very low | 52.6 | Low | 182 Ų | 182 | 138.3 Ų | 138.3 | 80% | 0.798 | 68% | 0.682 | S | S | * | * | trans | -64.2 | 83.5 | 176.5 | -132.4 | -94.3 | 0 | 0 | 0 | 105.1 | P8 D12 M15 | P8-F10 PolarHBondContact O-N 3.28Å; F10-D12 PolarHBondContact O-N 3.41Å; F10-D12 VanDerWaalsContact O-N 3.16Å; F10-M15 HydrophobicContact CD1-CE 4.27Å; F10-M15 HydrophobicContact CE1-CE 3.79Å; F10-M15 HydrophobicContact CZ-CE 4.34Å | ||
| 11 | N | 48.2 | Very low | 52.4 | Low | 100 Ų | 100 | 138.8 Ų | 138.8 | 54% | 0.535 | 68% | 0.676 | S | S | . | * | trans | -81.9 | 95.8 | -178.2 | -72.9 | -56.6 | 0 | 0 | 0 | 105 | F9 D13 N14 | F9-N11 PolarHBondContact O-N 3.11Å; F9-N11 PolarHBondContact O-ND2 3.47Å; F9-N11 VanDerWaalsContact O-ND2 3.11Å; N11-D13 PolarHBondContact O-N 3.36Å; N11-N14 PolarHBondContact O-N 2.96Å | ||
| 12 | D | 56.6 | Low | 53.1 | Low | 123 Ų | 123 | 134.9 Ų | 134.9 | 66% | 0.658 | 66% | 0.659 | S | S | * | * | G | 310 helix | trans | -54.4 | -29.4 | 173 | -131.2 | -79.9 | 0 | 0 | 0 | 110.8 | F10 N14 M15 | F10-D12 PolarHBondContact O-N 3.41Å; F10-D12 VanDerWaalsContact O-N 3.16Å; D12-N14 VanDerWaalsContact C-N 3.28Å; D12-N14 PolarHBondContact O-N 2.8Å; D12-M15 PolarHBondContact O-N 2.93Å |
| 13 | D | 56.8 | Low | 53.5 | Low | 160 Ų | 160 | 137.2 Ų | 137.2 | 86% | 0.856 | 67% | 0.666 | S | S | * | * | G | 310 helix | trans | -71 | -10.3 | -175.1 | -56 | -46.9 | 0 | 0 | 0 | 115.4 | N11 | N11-D13 PolarHBondContact O-N 3.36Š|
| 14 | N | 50.7 | Low | 53.7 | Low | 145 Ų | 145 | 136.1 Ų | 136.1 | 78% | 0.775 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -115.4 | 10.4 | 176.4 | -162.3 | 28.4 | 0 | 0 | 0 | 113.7 | N11 D12 G16 | N11-N14 PolarHBondContact O-N 2.96Å; D12-N14 VanDerWaalsContact C-N 3.28Å; D12-N14 PolarHBondContact O-N 2.8Å; N14-G16 VanDerWaalsContact C-N 3.34Å; N14-G16 PolarHBondContact O-N 2.96Å; N14-G16 VanDerWaalsContact O-N 3.11Å |
| 15 | M | 54.8 | Low | 53.8 | Low | 90 Ų | 90 | 131.2 Ų | 131.2 | 44% | 0.443 | 65% | 0.651 | S | S | . | * | S | Bend | trans | -81.3 | 85.9 | 168.5 | -63.2 | -94.1 | -169.9 | 0 | 0 | 107.4 | F10 D12 Y20 | F10-M15 HydrophobicContact CD1-CE 4.27Å; F10-M15 HydrophobicContact CE1-CE 3.79Å; F10-M15 HydrophobicContact CZ-CE 4.34Å; D12-M15 PolarHBondContact O-N 2.93Å; M15-Y20 HydrophobicContact CB-CD1 4.48Å; M15-Y20 WeakPolarHBondContact O-CE1 3.47Å |
| 16 | G | 55.3 | Low | 54.3 | Low | 32 Ų | 32 | 127.9 Ų | 127.9 | 33% | 0.33 | 64% | 0.642 | S | S | . | * | trans | -49.9 | 154.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | N14 F18 Y19 | N14-G16 VanDerWaalsContact C-N 3.34Å; N14-G16 PolarHBondContact O-N 2.96Å; N14-G16 VanDerWaalsContact O-N 3.11Å; G16-F18 PolarHBondContact O-N 3.2Å; G16-Y19 PolarHBondContact O-N 3.18Å; G16-Y19 VanDerWaalsContact O-N 3.08Å | ||
| 17 | P | 56.9 | Low | 55.1 | Low | 62 Ų | 62 | 123.8 Ų | 123.8 | 40% | 0.403 | 63% | 0.627 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.9 | 3.9 | -160.4 | 20.4 | -30.8 | 0 | 0 | 0 | 117.8 | Y20 R21 | P17-Y20 WeakPolarHBondContact CA-OH 3.46Å; P17-Y20 VanDerWaalsContact CB-OH 3.28Å; P17-Y20 WeakPolarHBondContact CB-OH 3.4Å; P17-Y20 WeakPolarHBondContact O-CE2 2.93Å; P17-R21 PolarHBondContact O-NE 3.46Å; P17-R21 PolarHBondContact O-NH2 3.46Å |
| 18 | F | 54.4 | Low | 56.2 | Low | 138 Ų | 138 | 123.4 Ų | 123.4 | 61% | 0.605 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.5 | -16 | -172 | -54.9 | -69.9 | 0 | 0 | 0 | 113.1 | G16 | G16-F18 PolarHBondContact O-N 3.2Š|
| 19 | Y | 53.9 | Low | 57.3 | Low | 197 Ų | 197 | 122.6 Ų | 122.6 | 77% | 0.773 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | -31 | -176.8 | -91.5 | -89.8 | 0 | 0 | 0 | 113.9 | G16 R21 | G16-Y19 PolarHBondContact O-N 3.18Å; G16-Y19 VanDerWaalsContact O-N 3.08Å; Y19-R21 VanDerWaalsContact C-N 3.3Å |
| 20 | Y | 51.9 | Low | 58.9 | Low | 108 Ų | 108 | 117.9 Ų | 117.9 | 42% | 0.424 | 58% | 0.584 | S | S | . | * | S | Bend | trans | -80 | -11.8 | 171.3 | 47.6 | -103.8 | 0 | 0 | 0 | 113.5 | M15 P17 | M15-Y20 HydrophobicContact CB-CD1 4.48Å; M15-Y20 WeakPolarHBondContact O-CE1 3.47Å; P17-Y20 WeakPolarHBondContact CA-OH 3.46Å; P17-Y20 VanDerWaalsContact CB-OH 3.28Å; P17-Y20 WeakPolarHBondContact CB-OH 3.4Å; P17-Y20 WeakPolarHBondContact O-CE2 2.93Å |
| 21 | R | 48.8 | Very low | 60.6 | Low | 150 Ų | 150 | 115.8 Ų | 115.8 | 57% | 0.566 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | -11 | -171.3 | -147.2 | -177.9 | -66.7 | -152.9 | -4.4 | 113.9 | P17 Y19 | P17-R21 PolarHBondContact O-NE 3.46Å; P17-R21 PolarHBondContact O-NH2 3.46Å; Y19-R21 VanDerWaalsContact C-N 3.3Å |
| 22 | L | 54.3 | Low | 62.3 | Low | 150 Ų | 150 | 111.8 Ų | 111.8 | 79% | 0.785 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.9 | -2.4 | -172.7 | -79.2 | 167.7 | 0 | 0 | 0 | 114.8 | ||
| 23 | H | 54.3 | Low | 63.7 | Low | 178 Ų | 178 | 113.1 Ų | 113.1 | 82% | 0.824 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.5 | -5.6 | -174.4 | -121.6 | -109.8 | 0 | 0 | 0 | 116 | ||
| 24 | F | 51.8 | Low | 64.8 | Low | 136 Ų | 136 | 105.9 Ų | 105.9 | 60% | 0.596 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -114.9 | 108.6 | 166.8 | -90.5 | -95.8 | 0 | 0 | 0 | 106.6 | D26 P46 | F24-D26 PolarHBondContact O-N 3.24Å; F24-P46 HydrophobicContact CD1-CG 4.44Å |
| 25 | C | 54.9 | Low | 66.2 | Low | 111 Ų | 111 | 107.9 Ų | 107.9 | 75% | 0.75 | 53% | 0.527 | S | S | * | . | trans | -41.8 | 128.7 | 151.9 | -71.5 | 0 | 0 | 0 | 0 | 107.2 | T27 | C25-T27 PolarHBondContact O-N 2.89Š| ||
| 26 | D | 65.8 | Low | 67.3 | Low | 129 Ų | 129 | 108.9 Ų | 108.9 | 69% | 0.69 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -56 | -2.4 | -167.4 | -64.2 | -66 | 0 | 0 | 0 | 115.6 | F24 | F24-D26 PolarHBondContact O-N 3.24Š|
| 27 | T | 71.6 | Confident | 68.5 | Low | 53 Ų | 53 | 109.9 Ų | 109.9 | 33% | 0.325 | 55% | 0.549 | S | S | . | . | trans | -141.2 | 130.7 | -177.6 | 59.4 | 0 | 0 | 0 | 0 | 111.6 | C25 R43 V44 | C25-T27 PolarHBondContact O-N 2.89Å; T27-R43 PolarHBondContact OG1-NH2 2.84Å; T27-V44 CarbonylContact C-O 3.58Å; T27-V44 WeakPolarHBondContact CA-O 3.25Å | ||
| 28 | M | 80.6 | Confident | 69.5 | Low | 93 Ų | 93 | 110.4 Ų | 110.4 | 46% | 0.458 | 55% | 0.55 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.4 | 141.6 | 165.1 | -176.6 | 176.6 | -179.5 | 0 | 0 | 109.4 | L30 R43 V44 | M28-L30 HydrophobicContact CE-CD2 3.97Å; M28-L30 HydrophobicContact CG-CD2 4.46Å; M28-L30 HydrophobicContact SD-CD2 4.37Å; M28-R43 CarbonylContact O-C 3.58Å; M28-R43 WeakPolarHBondContact O-CA 3.34Å; M28-V44 HydrophobicContact CB-CG2 4.11Å; M28-V44 PolarHBondContact N-O 2.58Å; M28-V44 PolarHBondContact O-N 3.1Å |
| 29 | E | 81.9 | Confident | 70.9 | Confident | 104 Ų | 104 | 108 Ų | 108 | 49% | 0.486 | 55% | 0.55 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.2 | 130.2 | 176.1 | -78.9 | 165.1 | 177.5 | 0 | 0 | 110.2 | E41 R43 | E29-E41 VanDerWaalsContact CD-OE1 3.31Å; E29-E41 WeakPolarHBondContact CG-OE1 3.42Å; E29-R43 HydrophobicContact CG-CG 3.78Å |
| 30 | L | 84.5 | Confident | 72.3 | Confident | 35 Ų | 35 | 100.3 Ų | 100.3 | 18% | 0.183 | 52% | 0.521 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 130 | 175.7 | -58.8 | 178.9 | 0 | 0 | 0 | 109.3 | M28 I32 E41 L42 V44 V53 | M28-L30 HydrophobicContact CE-CD2 3.97Å; M28-L30 HydrophobicContact CG-CD2 4.46Å; M28-L30 HydrophobicContact SD-CD2 4.37Å; L30-I32 HydrophobicContact CB-CD1 4.32Å; L30-I32 HydrophobicContact CB-CG1 4.22Å; L30-E41 CarbonylContact O-C 3.56Å; L30-E41 WeakPolarHBondContact O-CA 3.48Å; L30-L42 HydrophobicContact CB-CB 4.45Å; L30-L42 PolarHBondContact N-O 3.48Å; L30-L42 PolarHBondContact O-N 2.85Å; L30-V44 HydrophobicContact CD1-CG1 3.88Å; L30-V44 HydrophobicContact CD1-CG2 3.8Å; L30-V44 HydrophobicContact CG-CG2 3.99Å; L30-V53 HydrophobicContact CD1-CG1 4.28Å |
| 31 | F | 84.7 | Confident | 74 | Confident | 138 Ų | 138 | 99.9 Ų | 99.9 | 61% | 0.605 | 52% | 0.523 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 122.3 | 168.9 | -65 | -81.1 | 0 | 0 | 0 | 108.5 | E41 | F31-E41 HydrophobicContact CD1-CG 4.47Å; F31-E41 HydrophobicContact CE1-CB 4.44Å; F31-E41 HydrophobicContact CE1-CG 4.06Å; F31-E41 HydrophobicContact CZ-CG 4.45Å |
| 32 | I | 84.5 | Confident | 75.7 | Confident | 15 Ų | 15 | 93.4 Ų | 93.4 | 8% | 0.077 | 50% | 0.499 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 119.1 | -172.4 | -55.4 | 176.8 | 0 | 0 | 0 | 108 | L30 C39 F40 L42 I57 | L30-I32 HydrophobicContact CB-CD1 4.32Å; L30-I32 HydrophobicContact CB-CG1 4.22Å; I32-C39 VanDerWaalsContact O-CA 3.32Å; I32-C39 WeakPolarHBondContact O-CA 3.32Å; I32-F40 HydrophobicContact CB-CD1 4.46Å; I32-F40 HydrophobicContact CB-CD2 4.36Å; I32-F40 HydrophobicContact CB-CE1 4.03Å; I32-F40 HydrophobicContact CB-CE2 3.92Å; I32-F40 HydrophobicContact CB-CZ 3.72Å; I32-F40 HydrophobicContact CD1-CE2 3.71Å; I32-F40 HydrophobicContact CD1-CZ 4.01Å; I32-F40 HydrophobicContact CG1-CE2 4.29Å; I32-F40 HydrophobicContact CG1-CZ 4.44Å; I32-F40 HydrophobicContact CG2-CE1 3.82Å; I32-F40 HydrophobicContact CG2-CE2 4.25Å; I32-F40 HydrophobicContact CG2-CZ 3.57Å; I32-F40 PolarHBondContact N-O 2.91Å; I32-F40 PolarHBondContact O-N 3.49Å; I32-L42 HydrophobicContact CD1-CB 4.01Å; I32-L42 HydrophobicContact CD1-CD2 4.07Å; I32-I57 HydrophobicContact CD1-CD1 3.59Å; I32-I57 HydrophobicContact CD1-CG1 3.58Å |
| 33 | E | 84.2 | Confident | 77.3 | Confident | 152 Ų | 152 | 93.1 Ų | 93.1 | 71% | 0.71 | 49% | 0.488 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 124 | 171.5 | -174.6 | 175.4 | -168.8 | 0 | 0 | 108.9 | T38 | E33-T38 WeakPolarHBondContact CA-O 3.4Å |
| 34 | T | 80.9 | Confident | 78.7 | Confident | 7 Ų | 7 | 85.2 Ų | 85.2 | 4% | 0.043 | 45% | 0.451 | C | S | . | . | trans | -85 | 160.9 | 176.5 | 65.4 | 0 | 0 | 0 | 0 | 110.2 | T36 G37 T38 F40 E61 | T34-T36 PolarHBondContact O-N 2.9Å; T34-T36 VanDerWaalsContact O-N 3.1Å; T34-T36 PolarHBondContact OG1-N 3.31Å; T34-T36 PolarHBondContact OG1-OG1 2.9Å; T34-G37 PolarHBondContact O-N 3.05Å; T34-T38 PolarHBondContact N-O 3.02Å; T34-T38 WeakPolarHBondContact OG1-CB 3.44Å; T34-T38 PolarHBondContact OG1-N 3.05Å; T34-T38 VanDerWaalsContact OG1-N 3.1Å; T34-T38 PolarHBondContact OG1-O 2.71Å; T34-F40 HydrophobicContact CG2-CE1 3.87Å; T34-E61 HydrophobicContact CG2-CB 4.39Å; T34-E61 HydrophobicContact CG2-CG 3.87Å | ||
| 35 | L | 81 | Confident | 80.2 | Confident | 188 Ų | 188 | 80.4 Ų | 80.4 | 98% | 0.984 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -15.7 | 174.4 | -62.5 | 178.2 | 0 | 0 | 0 | 113.1 | G37 | L35-G37 PolarHBondContact O-N 3.23Š|
| 36 | T | 76.9 | Confident | 81.1 | Confident | 110 Ų | 110 | 78.4 Ų | 78.4 | 68% | 0.675 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | 0.9 | 172.5 | 56.2 | 0 | 0 | 0 | 0 | 112.9 | T34 T38 | T34-T36 PolarHBondContact O-N 2.9Å; T34-T36 VanDerWaalsContact O-N 3.1Å; T34-T36 PolarHBondContact OG1-N 3.31Å; T34-T36 PolarHBondContact OG1-OG1 2.9Å; T36-T38 VanDerWaalsContact C-N 3.31Å; T36-T38 PolarHBondContact OG1-OG1 3.49Å |
| 37 | G | 79.9 | Confident | 81.6 | Confident | 54 Ų | 54 | 79.8 Ų | 79.8 | 56% | 0.557 | 42% | 0.421 | S | S | * | . | S | Bend | trans | 76 | 18.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | T34 L35 | T34-G37 PolarHBondContact O-N 3.05Å; L35-G37 PolarHBondContact O-N 3.23Å |
| 38 | T | 78.9 | Confident | 81.9 | Confident | 72 Ų | 72 | 80.4 Ų | 80.4 | 44% | 0.442 | 42% | 0.42 | S | S | . | . | trans | -89.6 | 126.6 | 174.6 | -54.9 | 0 | 0 | 0 | 0 | 108.9 | E33 T34 T36 | E33-T38 WeakPolarHBondContact CA-O 3.4Å; T34-T38 PolarHBondContact N-O 3.02Å; T34-T38 WeakPolarHBondContact OG1-CB 3.44Å; T34-T38 PolarHBondContact OG1-N 3.05Å; T34-T38 VanDerWaalsContact OG1-N 3.1Å; T34-T38 PolarHBondContact OG1-O 2.71Å; T36-T38 VanDerWaalsContact C-N 3.31Å; T36-T38 PolarHBondContact OG1-OG1 3.49Å | ||
| 39 | C | 83.4 | Confident | 81.9 | Confident | 89 Ų | 89 | 80.1 Ų | 80.1 | 60% | 0.601 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 132.4 | 177.2 | -174.8 | 0 | 0 | 0 | 0 | 110.1 | I32 | I32-C39 VanDerWaalsContact O-CA 3.32Å; I32-C39 WeakPolarHBondContact O-CA 3.32Å |
| 40 | F | 84.2 | Confident | 81.9 | Confident | 34 Ų | 34 | 80 Ų | 80 | 15% | 0.149 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 156.3 | 175 | 62.7 | -86.8 | 0 | 0 | 0 | 112.1 | I32 T34 L42 I57 L60 | I32-F40 HydrophobicContact CB-CD1 4.46Å; I32-F40 HydrophobicContact CB-CD2 4.36Å; I32-F40 HydrophobicContact CB-CE1 4.03Å; I32-F40 HydrophobicContact CB-CE2 3.92Å; I32-F40 HydrophobicContact CB-CZ 3.72Å; I32-F40 HydrophobicContact CD1-CE2 3.71Å; I32-F40 HydrophobicContact CD1-CZ 4.01Å; I32-F40 HydrophobicContact CG1-CE2 4.29Å; I32-F40 HydrophobicContact CG1-CZ 4.44Å; I32-F40 HydrophobicContact CG2-CE1 3.82Å; I32-F40 HydrophobicContact CG2-CE2 4.25Å; I32-F40 HydrophobicContact CG2-CZ 3.57Å; I32-F40 PolarHBondContact N-O 2.91Å; I32-F40 PolarHBondContact O-N 3.49Å; T34-F40 HydrophobicContact CG2-CE1 3.87Å; F40-L42 HydrophobicContact CE2-CB 4.44Å; F40-I57 HydrophobicContact CZ-CG2 4.09Å; F40-L60 HydrophobicContact CD2-CB 4.39Å; F40-L60 HydrophobicContact CD2-CD1 4.2Å; F40-L60 HydrophobicContact CE2-CB 4.18Å; F40-L60 HydrophobicContact CE2-CD1 4.14Å |
| 41 | E | 85.9 | Confident | 81.9 | Confident | 100 Ų | 100 | 85.1 Ų | 85.1 | 47% | 0.467 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 131.2 | 177.1 | -167.6 | -170.9 | 143.6 | 0 | 0 | 109.7 | E29 L30 F31 | E29-E41 VanDerWaalsContact CD-OE1 3.31Å; E29-E41 WeakPolarHBondContact CG-OE1 3.42Å; L30-E41 CarbonylContact O-C 3.56Å; L30-E41 WeakPolarHBondContact O-CA 3.48Å; F31-E41 HydrophobicContact CD1-CG 4.47Å; F31-E41 HydrophobicContact CE1-CB 4.44Å; F31-E41 HydrophobicContact CE1-CG 4.06Å; F31-E41 HydrophobicContact CZ-CG 4.45Å |
| 42 | L | 86.2 | Confident | 81.7 | Confident | 13 Ų | 13 | 80.4 Ų | 80.4 | 7% | 0.068 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 119.3 | 177 | -179.3 | 64.2 | 0 | 0 | 0 | 110.7 | L30 I32 F40 V44 V53 K56 I57 L60 | L30-L42 HydrophobicContact CB-CB 4.45Å; L30-L42 PolarHBondContact N-O 3.48Å; L30-L42 PolarHBondContact O-N 2.85Å; I32-L42 HydrophobicContact CD1-CB 4.01Å; I32-L42 HydrophobicContact CD1-CD2 4.07Å; F40-L42 HydrophobicContact CE2-CB 4.44Å; L42-V44 HydrophobicContact CD2-CG1 3.8Å; L42-V44 HydrophobicContact CG-CG1 3.75Å; L42-V53 HydrophobicContact CD2-CG1 4.09Å; L42-K56 HydrophobicContact CD1-CB 4.4Å; L42-K56 HydrophobicContact CD1-CD 4.46Å; L42-K56 HydrophobicContact CD2-CB 4.31Å; L42-I57 HydrophobicContact CD2-CD1 4.41Å; L42-I57 HydrophobicContact CD2-CG1 3.73Å; L42-L60 HydrophobicContact CD1-CD1 3.78Å |
| 43 | R | 86.3 | Confident | 81.8 | Confident | 145 Ų | 145 | 80.8 Ų | 80.8 | 55% | 0.547 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 119.8 | 172 | -65.8 | -179.7 | 67.7 | -179 | 2.1 | 109.8 | T27 M28 E29 | T27-R43 PolarHBondContact OG1-NH2 2.84Å; M28-R43 CarbonylContact O-C 3.58Å; M28-R43 WeakPolarHBondContact O-CA 3.34Å; E29-R43 HydrophobicContact CG-CG 3.78Å |
| 44 | V | 83.8 | Confident | 81.8 | Confident | 11 Ų | 11 | 79.4 Ų | 79.4 | 7% | 0.067 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 149.7 | 179.3 | -58 | 0 | 0 | 0 | 0 | 110.4 | T27 M28 L30 L42 V53 | T27-V44 CarbonylContact C-O 3.58Å; T27-V44 WeakPolarHBondContact CA-O 3.25Å; M28-V44 HydrophobicContact CB-CG2 4.11Å; M28-V44 PolarHBondContact N-O 2.58Å; M28-V44 PolarHBondContact O-N 3.1Å; L30-V44 HydrophobicContact CD1-CG1 3.88Å; L30-V44 HydrophobicContact CD1-CG2 3.8Å; L30-V44 HydrophobicContact CG-CG2 3.99Å; L42-V44 HydrophobicContact CD2-CG1 3.8Å; L42-V44 HydrophobicContact CG-CG1 3.75Å; V44-V53 HydrophobicContact CB-CG2 4.26Å; V44-V53 HydrophobicContact CG1-CG1 3.97Å; V44-V53 HydrophobicContact CG1-CG2 3.9Å |
| 45 | S | 83.8 | Confident | 81.9 | Confident | 36 Ų | 36 | 81.4 Ų | 81.4 | 25% | 0.252 | 45% | 0.451 | S | S | . | . | trans | -88.5 | 143.7 | 170.3 | -175 | 0 | 0 | 0 | 0 | 109.4 | F47 E48 | S45-F47 PolarHBondContact O-N 2.74Å; S45-E48 WeakPolarHBondContact O-CB 3.39Å; S45-E48 PolarHBondContact O-N 2.84Å | ||
| 46 | P | 73.9 | Confident | 82.2 | Confident | 68 Ų | 68 | 75.7 Ų | 75.7 | 44% | 0.442 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -15.5 | 175.6 | 25 | -35.3 | 0 | 0 | 0 | 113.4 | F24 | F24-P46 HydrophobicContact CD1-CG 4.44Š|
| 47 | F | 76.8 | Confident | 82.7 | Confident | 159 Ų | 159 | 71 Ų | 71 | 70% | 0.697 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -4.9 | 175.3 | -58.9 | -75.8 | 0 | 0 | 0 | 113.7 | S45 | S45-F47 PolarHBondContact O-N 2.74Š|
| 48 | E | 77.8 | Confident | 82.7 | Confident | 66 Ų | 66 | 73.5 Ų | 73.5 | 31% | 0.308 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -77 | 136.8 | 178 | -73.5 | -172.5 | 159.7 | 0 | 0 | 111.7 | S45 V53 K56 | S45-E48 WeakPolarHBondContact O-CB 3.39Å; S45-E48 PolarHBondContact O-N 2.84Å; E48-V53 HydrophobicContact CB-CG2 4.01Å; E48-K56 IonicContact OE1-NZ 2.74Å; E48-K56 PolarHBondContact OE1-NZ 3.14Å; E48-K56 IonicContact OE2-NZ 3.02Å; E48-K56 PolarHBondContact OE2-NZ 3.36Å |
| 49 | T | 81.6 | Confident | 82.9 | Confident | 87 Ų | 87 | 79.6 Ų | 79.6 | 53% | 0.534 | 40% | 0.397 | S | S | . | . | trans | -73.2 | 149.3 | 176.5 | 65.7 | 0 | 0 | 0 | 0 | 110.5 | I51 S52 V53 | T49-I51 PolarHBondContact O-N 3.37Å; T49-I51 VanDerWaalsContact O-N 3.11Å; T49-S52 PolarHBondContact N-OG 3.1Å; T49-S52 VanDerWaalsContact N-OG 3.17Å; T49-S52 WeakPolarHBondContact O-CA 3.48Å; T49-S52 WeakPolarHBondContact O-CB 3.49Å; T49-S52 PolarHBondContact O-N 2.98Å; T49-S52 PolarHBondContact O-OG 3.04Å; T49-S52 PolarHBondContact OG1-N 3.09Å; T49-S52 PolarHBondContact OG1-OG 3.43Å; T49-V53 PolarHBondContact O-N 2.96Å | ||
| 50 | V | 81.2 | Confident | 82.9 | Confident | 102 Ų | 102 | 79.7 Ų | 79.7 | 62% | 0.618 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -53.7 | -35.3 | 175.5 | 177.6 | 0 | 0 | 0 | 0 | 112 | V53 K54 | V50-V53 PolarHBondContact O-N 3.14Å; V50-K54 HydrophobicContact CG1-CD 4.14Å; V50-K54 HydrophobicContact CG1-CG 4.41Å; V50-K54 WeakPolarHBondContact O-CB 3.38Å; V50-K54 VanDerWaalsContact O-CG 3.28Å; V50-K54 WeakPolarHBondContact O-CG 3.43Å; V50-K54 PolarHBondContact O-N 2.69Å |
| 51 | I | 84.1 | Confident | 82.6 | Confident | 141 Ų | 141 | 80.6 Ų | 80.6 | 72% | 0.723 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -63.5 | -44.4 | 176.7 | -59.1 | 173.7 | 0 | 0 | 0 | 110.6 | T49 K54 A55 | T49-I51 PolarHBondContact O-N 3.37Å; T49-I51 VanDerWaalsContact O-N 3.11Å; I51-K54 PolarHBondContact O-N 2.77Å; I51-A55 PolarHBondContact O-N 3.22Å |
| 52 | S | 81.7 | Confident | 81.7 | Confident | 40 Ų | 40 | 80.9 Ų | 80.9 | 28% | 0.28 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -65.9 | -39.7 | 178.4 | 69.4 | 0 | 0 | 0 | 0 | 112.7 | T49 A55 K56 | T49-S52 PolarHBondContact N-OG 3.1Å; T49-S52 VanDerWaalsContact N-OG 3.17Å; T49-S52 WeakPolarHBondContact O-CA 3.48Å; T49-S52 WeakPolarHBondContact O-CB 3.49Å; T49-S52 PolarHBondContact O-N 2.98Å; T49-S52 PolarHBondContact O-OG 3.04Å; T49-S52 PolarHBondContact OG1-N 3.09Å; T49-S52 PolarHBondContact OG1-OG 3.43Å; S52-A55 PolarHBondContact O-N 3.32Å; S52-K56 WeakPolarHBondContact O-CG 3.38Å; S52-K56 PolarHBondContact O-N 3.41Å; S52-K56 VanDerWaalsContact O-N 3.09Å |
| 53 | V | 85.4 | Confident | 80.3 | Confident | 22 Ų | 22 | 85.1 Ų | 85.1 | 13% | 0.133 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -65.5 | -43.7 | 176.1 | 176.7 | 0 | 0 | 0 | 0 | 110.9 | L30 L42 V44 E48 T49 V50 A55 K56 I57 | L30-V53 HydrophobicContact CD1-CG1 4.28Å; L42-V53 HydrophobicContact CD2-CG1 4.09Å; V44-V53 HydrophobicContact CB-CG2 4.26Å; V44-V53 HydrophobicContact CG1-CG1 3.97Å; V44-V53 HydrophobicContact CG1-CG2 3.9Å; E48-V53 HydrophobicContact CB-CG2 4.01Å; T49-V53 PolarHBondContact O-N 2.96Å; V50-V53 PolarHBondContact O-N 3.14Å; V53-A55 VanDerWaalsContact C-N 3.3Å; V53-A55 PolarHBondContact O-N 3.01Å; V53-K56 WeakPolarHBondContact O-CB 3.46Å; V53-K56 PolarHBondContact O-N 3.01Å; V53-K56 VanDerWaalsContact O-N 3.14Å; V53-I57 HydrophobicContact CG1-CD1 3.98Å; V53-I57 WeakPolarHBondContact O-CG1 3.49Å; V53-I57 PolarHBondContact O-N 3.21Å |
| 54 | K | 84.4 | Confident | 78.8 | Confident | 124 Ų | 124 | 80.8 Ų | 80.8 | 54% | 0.539 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -59.5 | -39.9 | 174.8 | -75.8 | 178.4 | 176.5 | -172.9 | 0 | 112.5 | V50 I51 K56 I57 R58 | V50-K54 HydrophobicContact CG1-CD 4.14Å; V50-K54 HydrophobicContact CG1-CG 4.41Å; V50-K54 WeakPolarHBondContact O-CB 3.38Å; V50-K54 VanDerWaalsContact O-CG 3.28Å; V50-K54 WeakPolarHBondContact O-CG 3.43Å; V50-K54 PolarHBondContact O-N 2.69Å; I51-K54 PolarHBondContact O-N 2.77Å; K54-K56 VanDerWaalsContact C-N 3.35Å; K54-I57 PolarHBondContact O-N 2.65Å; K54-R58 PolarHBondContact O-N 3.05Å |
| 55 | A | 83.7 | Confident | 76.8 | Confident | 48 Ų | 48 | 85.6 Ų | 85.6 | 40% | 0.397 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -65.3 | -37.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | I51 S52 V53 R59 | I51-A55 PolarHBondContact O-N 3.22Å; S52-A55 PolarHBondContact O-N 3.32Å; V53-A55 VanDerWaalsContact C-N 3.3Å; V53-A55 PolarHBondContact O-N 3.01Å; A55-R59 WeakPolarHBondContact O-CG 3.48Å; A55-R59 PolarHBondContact O-N 2.94Å |
| 56 | K | 86.4 | Confident | 75.1 | Confident | 69 Ų | 69 | 89.4 Ų | 89.4 | 30% | 0.3 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.1 | -45.1 | 174.3 | -71.4 | 178.6 | 178 | -176.3 | 0 | 111.9 | L42 E48 S52 V53 K54 R58 R59 L60 | L42-K56 HydrophobicContact CD1-CB 4.4Å; L42-K56 HydrophobicContact CD1-CD 4.46Å; L42-K56 HydrophobicContact CD2-CB 4.31Å; E48-K56 IonicContact OE1-NZ 2.74Å; E48-K56 PolarHBondContact OE1-NZ 3.14Å; E48-K56 IonicContact OE2-NZ 3.02Å; E48-K56 PolarHBondContact OE2-NZ 3.36Å; S52-K56 WeakPolarHBondContact O-CG 3.38Å; S52-K56 PolarHBondContact O-N 3.41Å; S52-K56 VanDerWaalsContact O-N 3.09Å; V53-K56 WeakPolarHBondContact O-CB 3.46Å; V53-K56 PolarHBondContact O-N 3.01Å; V53-K56 VanDerWaalsContact O-N 3.14Å; K54-K56 VanDerWaalsContact C-N 3.35Å; K56-R58 PolarHBondContact O-N 3.05Å; K56-R59 PolarHBondContact O-N 2.84Å; K56-L60 WeakPolarHBondContact O-CG 3.43Å; K56-L60 PolarHBondContact O-N 3.17Å |
| 57 | I | 86.7 | Confident | 73.9 | Confident | 12 Ų | 12 | 91.1 Ų | 91.1 | 6% | 0.062 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -56.6 | -49.9 | 176.8 | -70.9 | 166.9 | 0 | 0 | 0 | 110.8 | I32 F40 L42 V53 K54 R59 L60 E61 L86 | I32-I57 HydrophobicContact CD1-CD1 3.59Å; I32-I57 HydrophobicContact CD1-CG1 3.58Å; F40-I57 HydrophobicContact CZ-CG2 4.09Å; L42-I57 HydrophobicContact CD2-CD1 4.41Å; L42-I57 HydrophobicContact CD2-CG1 3.73Å; V53-I57 HydrophobicContact CG1-CD1 3.98Å; V53-I57 WeakPolarHBondContact O-CG1 3.49Å; V53-I57 PolarHBondContact O-N 3.21Å; K54-I57 PolarHBondContact O-N 2.65Å; I57-R59 PolarHBondContact O-N 3.44Å; I57-L60 PolarHBondContact O-N 2.91Å; I57-E61 WeakPolarHBondContact O-CB 3.38Å; I57-E61 PolarHBondContact O-N 3.11Å; I57-L86 HydrophobicContact CD1-CD2 4.3Å; I57-L86 HydrophobicContact CG2-CD2 4.33Å |
| 58 | R | 81.6 | Confident | 72.3 | Confident | 105 Ų | 105 | 91.5 Ų | 91.5 | 40% | 0.396 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -58.3 | -36.1 | 179.7 | 175.2 | 58.7 | 78.2 | -155.2 | 16.1 | 112.9 | K54 K56 E61 D62 M84 | K54-R58 PolarHBondContact O-N 3.05Å; K56-R58 PolarHBondContact O-N 3.05Å; R58-E61 IonicContact NH1-OE2 2.58Å; R58-E61 PolarHBondContact NH1-OE2 2.83Å; R58-D62 PolarHBondContact O-N 2.83Å; R58-M84 VanDerWaalsContact NH1-CE 3.3Å; R58-M84 PolarHBondContact NH2-SD 2.65Å |
| 59 | R | 81.8 | Confident | 70.9 | Confident | 200 Ų | 200 | 95.1 Ų | 95.1 | 76% | 0.755 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -72.6 | -27.3 | 178 | -70.7 | 176.5 | -177.6 | -169.2 | 0.9 | 113.5 | A55 K56 I57 | A55-R59 WeakPolarHBondContact O-CG 3.48Å; A55-R59 PolarHBondContact O-N 2.94Å; K56-R59 PolarHBondContact O-N 2.84Å; I57-R59 PolarHBondContact O-N 3.44Å |
| 60 | L | 83.3 | Confident | 69 | Low | 91 Ų | 91 | 96.2 Ų | 96.2 | 48% | 0.476 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -90 | -32.8 | -179 | -69 | 173.4 | 0 | 0 | 0 | 112.6 | F40 L42 K56 I57 P63 | F40-L60 HydrophobicContact CD2-CB 4.39Å; F40-L60 HydrophobicContact CD2-CD1 4.2Å; F40-L60 HydrophobicContact CE2-CB 4.18Å; F40-L60 HydrophobicContact CE2-CD1 4.14Å; L42-L60 HydrophobicContact CD1-CD1 3.78Å; K56-L60 WeakPolarHBondContact O-CG 3.43Å; K56-L60 PolarHBondContact O-N 3.17Å; I57-L60 PolarHBondContact O-N 2.91Å; L60-P63 WeakPolarHBondContact O-CD 3.28Å |
| 61 | E | 77.7 | Confident | 67 | Low | 54 Ų | 54 | 94 Ų | 94 | 25% | 0.252 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -70.7 | -32.2 | 176.2 | 174.4 | 179.4 | -154.3 | 0 | 0 | 112.5 | T34 I57 R58 P63 | T34-E61 HydrophobicContact CG2-CB 4.39Å; T34-E61 HydrophobicContact CG2-CG 3.87Å; I57-E61 WeakPolarHBondContact O-CB 3.38Å; I57-E61 PolarHBondContact O-N 3.11Å; R58-E61 IonicContact NH1-OE2 2.58Å; R58-E61 PolarHBondContact NH1-OE2 2.83Å; E61-P63 VanDerWaalsContact O-CD 3.25Å; E61-P63 WeakPolarHBondContact O-CD 3.35Å |
| 62 | D | 67.1 | Low | 64.5 | Low | 106 Ų | 106 | 98.4 Ų | 98.4 | 57% | 0.567 | 54% | 0.535 | S | S | * | . | trans | -119.2 | 69.3 | -179.3 | -173.1 | 18.2 | 0 | 0 | 0 | 111.2 | R58 G64 | R58-D62 PolarHBondContact O-N 2.83Å; D62-G64 PolarHBondContact O-N 2.95Å | ||
| 63 | P | 56.4 | Low | 62.5 | Low | 102 Ų | 102 | 101.8 Ų | 101.8 | 66% | 0.662 | 56% | 0.555 | S | S | * | * | trans | -76 | 77.5 | 165.7 | 32.8 | -28.4 | 0 | 0 | 0 | 106.4 | L60 E61 D65 | L60-P63 WeakPolarHBondContact O-CD 3.28Å; E61-P63 VanDerWaalsContact O-CD 3.25Å; E61-P63 WeakPolarHBondContact O-CD 3.35Å; P63-D65 PolarHBondContact O-N 3.29Å; P63-D65 VanDerWaalsContact O-N 3.11Å | ||
| 64 | G | 55.2 | Low | 60 | Low | 54 Ų | 54 | 105.1 Ų | 105.1 | 56% | 0.557 | 58% | 0.58 | S | S | * | * | trans | -18.8 | 107.4 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114 | D62 P66 | D62-G64 PolarHBondContact O-N 2.95Å; G64-P66 WeakPolarHBondContact O-CD 3.28Å | ||
| 65 | D | 42.4 | Very low | 58 | Low | 112 Ų | 112 | 105 Ų | 105 | 60% | 0.599 | 59% | 0.592 | S | S | * | * | trans | -57.4 | 121.7 | 174.1 | 176.7 | -109.2 | 0 | 0 | 0 | 108.7 | P63 T67 | P63-D65 PolarHBondContact O-N 3.29Å; P63-D65 VanDerWaalsContact O-N 3.11Å; D65-T67 PolarHBondContact O-N 2.69Å; D65-T67 VanDerWaalsContact O-N 3.11Å; D65-T67 WeakPolarHBondContact OD1-CA 3.12Å; D65-T67 WeakPolarHBondContact OD1-CB 3.45Å; D65-T67 PolarHBondContact OD1-N 2.72Å; D65-T67 PolarHBondContact OD1-OG1 3.08Å; D65-T67 PolarHBondContact OD2-OG1 2.91Å | ||
| 66 | P | 47.1 | Very low | 55.5 | Low | 115 Ų | 115 | 108.3 Ų | 108.3 | 75% | 0.747 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -78 | 15.5 | -178.6 | 30 | -31.2 | 0 | 0 | 0 | 113.2 | G64 | G64-P66 WeakPolarHBondContact O-CD 3.28Š|
| 67 | T | 48.8 | Very low | 53.6 | Low | 104 Ų | 104 | 111.6 Ų | 111.6 | 64% | 0.638 | 63% | 0.633 | S | S | * | * | trans | -115.1 | 49.9 | -179.1 | 57.7 | 0 | 0 | 0 | 0 | 115 | D65 | D65-T67 PolarHBondContact O-N 2.69Å; D65-T67 VanDerWaalsContact O-N 3.11Å; D65-T67 WeakPolarHBondContact OD1-CA 3.12Å; D65-T67 WeakPolarHBondContact OD1-CB 3.45Å; D65-T67 PolarHBondContact OD1-N 2.72Å; D65-T67 PolarHBondContact OD1-OG1 3.08Å; D65-T67 PolarHBondContact OD2-OG1 2.91Å | ||
| 68 | E | 43.6 | Very low | 51.1 | Low | 167 Ų | 167 | 116.8 Ų | 116.8 | 78% | 0.78 | 67% | 0.665 | S | S | * | * | trans | -145.5 | 70.2 | 144.3 | -102.4 | -153.9 | 116.1 | 0 | 0 | 112.1 | S70 | E68-S70 VanDerWaalsContact C-N 3.32Å; E68-S70 PolarHBondContact O-N 3.11Å | ||
| 69 | V | 47.9 | Very low | 48.7 | Very low | 142 Ų | 142 | 116.7 Ų | 116.7 | 86% | 0.861 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | 73.5 | 157.5 | 57.8 | 0 | 0 | 0 | 0 | 109.6 | ||
| 70 | S | 42 | Very low | 46.9 | Very low | 110 Ų | 110 | 111 Ų | 111 | 77% | 0.769 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -167 | 25.1 | 162.6 | 53 | 0 | 0 | 0 | 0 | 116.2 | E68 | E68-S70 VanDerWaalsContact C-N 3.32Å; E68-S70 PolarHBondContact O-N 3.11Å |
| 71 | G | 39.4 | Very low | 44.6 | Very low | 55 Ų | 55 | 115.6 Ų | 115.6 | 57% | 0.567 | 70% | 0.695 | S | S | * | * | trans | -172.7 | 95.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | P73 | G71-P73 WeakPolarHBondContact O-CD 3.07Š| ||
| 72 | W | 32.8 | Very low | 42.6 | Very low | 235 Ų | 235 | 118.2 Ų | 118.2 | 89% | 0.89 | 72% | 0.719 | S | S | * | * | trans | -85.2 | 101.4 | 165.4 | -163.8 | -33.2 | 0 | 0 | 0 | 107.4 | S74 | W72-S74 PolarHBondContact O-N 3.28Š| ||
| 73 | P | 37.8 | Very low | 41.2 | Very low | 110 Ų | 110 | 119.5 Ų | 119.5 | 71% | 0.714 | 73% | 0.73 | S | S | * | * | trans | -76.9 | 118.8 | 156.7 | 30.7 | -30.1 | 0 | 0 | 0 | 107.3 | G71 | G71-P73 WeakPolarHBondContact O-CD 3.07Š| ||
| 74 | S | 33.4 | Very low | 40.3 | Very low | 92 Ų | 92 | 118.7 Ų | 118.7 | 64% | 0.643 | 72% | 0.719 | S | S | * | * | trans | -38.7 | 154.3 | 169.4 | -60.8 | 0 | 0 | 0 | 0 | 112.9 | W72 V76 | W72-S74 PolarHBondContact O-N 3.28Å; S74-V76 PolarHBondContact O-N 3.19Å | ||
| 75 | P | 41.9 | Very low | 39.5 | Very low | 122 Ų | 122 | 121.7 Ų | 121.7 | 79% | 0.792 | 73% | 0.726 | S | S | * | * | trans | -61.3 | 98.8 | -178.2 | 25.9 | -33.6 | 0 | 0 | 0 | 110.3 | T77 | P75-T77 PolarHBondContact O-N 3.19Š| ||
| 76 | V | 31.8 | Very low | 39.6 | Very low | 117 Ų | 117 | 119.4 Ų | 119.4 | 71% | 0.709 | 71% | 0.714 | S | S | * | * | trans | -86.1 | 108.1 | 166.4 | 62.8 | 0 | 0 | 0 | 0 | 107.2 | S74 T78 | S74-V76 PolarHBondContact O-N 3.19Å; V76-T78 VanDerWaalsContact C-N 3.27Å; V76-T78 PolarHBondContact O-N 3.35Å | ||
| 77 | T | 46.9 | Very low | 39 | Very low | 138 Ų | 138 | 121.2 Ų | 121.2 | 85% | 0.847 | 71% | 0.713 | S | S | * | * | trans | -64.7 | 88.2 | 167 | 50 | 0 | 0 | 0 | 0 | 108.4 | P75 | P75-T77 PolarHBondContact O-N 3.19Š| ||
| 78 | T | 34.5 | Very low | 38.6 | Very low | 122 Ų | 122 | 119 Ų | 119 | 75% | 0.748 | 71% | 0.705 | S | S | * | * | trans | -93.1 | 107.9 | 166.5 | -66.7 | 0 | 0 | 0 | 0 | 109 | V76 | V76-T78 VanDerWaalsContact C-N 3.27Å; V76-T78 PolarHBondContact O-N 3.35Å | ||
| 79 | S | 30.5 | Very low | 38.2 | Very low | 103 Ų | 103 | 119.7 Ų | 119.7 | 72% | 0.72 | 71% | 0.705 | S | S | * | * | trans | -47.4 | 134.4 | 167.6 | 167.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 80 | A | 43.9 | Very low | 37.7 | Very low | 80 Ų | 80 | 117.4 Ų | 117.4 | 66% | 0.661 | 69% | 0.692 | S | S | * | * | S | Bend | trans | 64.8 | 136.4 | 148 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||
| 81 | H | 35.3 | Very low | 37.1 | Very low | 188 Ų | 188 | 117.1 Ų | 117.1 | 87% | 0.87 | 69% | 0.689 | S | S | * | * | S | Bend | trans | 83.4 | 119.2 | 164.9 | -75.2 | -152.1 | 0 | 0 | 0 | 116.6 | ||
| 82 | S | 36.4 | Very low | 36.7 | Very low | 109 Ų | 109 | 120.2 Ų | 120.2 | 76% | 0.762 | 70% | 0.699 | S | S | * | * | trans | 80.3 | 71.2 | 162 | -150.1 | 0 | 0 | 0 | 0 | 116 | ||||
| 83 | V | 36.6 | Very low | 37 | Very low | 132 Ų | 132 | 121.8 Ų | 121.8 | 80% | 0.8 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -141.6 | 117.3 | 148.4 | -115.4 | 0 | 0 | 0 | 0 | 109.5 | ||
| 84 | M | 36.9 | Very low | 37 | Very low | 85 Ų | 85 | 122.4 Ų | 122.4 | 42% | 0.419 | 71% | 0.712 | S | S | . | * | trans | 77.7 | 52.5 | 173.5 | -53.4 | -178.9 | 127.5 | 0 | 0 | 116.4 | R58 L86 | R58-M84 VanDerWaalsContact NH1-CE 3.3Å; R58-M84 PolarHBondContact NH2-SD 2.65Å; M84-L86 PolarHBondContact O-N 3.16Å | ||
| 85 | T | 38.4 | Very low | 37.2 | Very low | 117 Ų | 117 | 123.9 Ų | 123.9 | 72% | 0.718 | 72% | 0.715 | S | S | * | * | trans | -68.9 | 70 | 138 | -44.5 | 0 | 0 | 0 | 0 | 107.3 | E87 | T85-E87 HydrophobicContact CG2-CG 3.82Å; T85-E87 PolarHBondContact O-N 3.11Å | ||
| 86 | L | 44.5 | Very low | 36.9 | Very low | 64 Ų | 64 | 124.1 Ų | 124.1 | 34% | 0.335 | 71% | 0.711 | S | S | . | * | trans | -76 | 75.3 | 164.7 | -145.2 | 86.2 | 0 | 0 | 0 | 104.8 | I57 M84 A88 | I57-L86 HydrophobicContact CD1-CD2 4.3Å; I57-L86 HydrophobicContact CG2-CD2 4.33Å; M84-L86 PolarHBondContact O-N 3.16Å; L86-A88 PolarHBondContact O-N 3.01Å | ||
| 87 | E | 35.3 | Very low | 37.2 | Very low | 154 Ų | 154 | 124.5 Ų | 124.5 | 72% | 0.72 | 71% | 0.711 | S | S | * | * | trans | -64.7 | 79.8 | 151.3 | -68.4 | -66.1 | 115.8 | 0 | 0 | 104 | T85 F89 | T85-E87 HydrophobicContact CG2-CG 3.82Å; T85-E87 PolarHBondContact O-N 3.11Å; E87-F89 PolarHBondContact O-N 2.67Å | ||
| 88 | A | 40 | Very low | 36.6 | Very low | 58 Ų | 58 | 123.6 Ų | 123.6 | 48% | 0.479 | 70% | 0.702 | S | S | . | * | trans | -58.1 | 101.2 | 164.6 | 0 | 0 | 0 | 0 | 0 | 104.2 | L86 V90 | L86-A88 PolarHBondContact O-N 3.01Å; A88-V90 PolarHBondContact O-N 2.76Å | ||
| 89 | F | 35.5 | Very low | 36.7 | Very low | 180 Ų | 180 | 123.7 Ų | 123.7 | 79% | 0.789 | 70% | 0.699 | S | S | * | * | trans | -60.4 | 87.6 | 160 | -105.4 | -96.7 | 0 | 0 | 0 | 104.6 | E87 C91 | E87-F89 PolarHBondContact O-N 2.67Å; F89-C91 PolarHBondContact O-N 2.86Å | ||
| 90 | V | 38.7 | Very low | 37.2 | Very low | 95 Ų | 95 | 125.2 Ų | 125.2 | 58% | 0.576 | 70% | 0.698 | S | S | * | * | trans | -61.9 | 94.6 | 164.1 | 175 | 0 | 0 | 0 | 0 | 103.3 | A88 P92 | A88-V90 PolarHBondContact O-N 2.76Å; V90-P92 WeakPolarHBondContact O-CD 3.37Å | ||
| 91 | C | 28.3 | Very low | 36.6 | Very low | 104 Ų | 104 | 128.7 Ų | 128.7 | 70% | 0.703 | 70% | 0.701 | S | S | * | * | trans | -60.8 | 110.5 | 175 | -75.8 | 0 | 0 | 0 | 0 | 107.3 | F89 K93 | F89-C91 PolarHBondContact O-N 2.86Å; C91-K93 PolarHBondContact O-N 2.91Å | ||
| 92 | P | 30.2 | Very low | 36.8 | Very low | 119 Ų | 119 | 123.8 Ų | 123.8 | 77% | 0.773 | 69% | 0.687 | S | S | * | * | trans | -72.2 | 116 | 168 | 29.2 | -21.9 | 0 | 0 | 0 | 105.9 | V90 | V90-P92 WeakPolarHBondContact O-CD 3.37Š| ||
| 93 | K | 40.2 | Very low | 36.8 | Very low | 268 Ų | 268 | 125.1 Ų | 125.1 | 100% | 1.165 | 68% | 0.68 | S | S | * | * | trans | -65.1 | 0 | 158.6 | -86.8 | -92.8 | 173.7 | 64.7 | 0 | 109 | C91 | C91-K93 PolarHBondContact O-N 2.91Š|
Retrieved 93 of 93 residues in 35.2 ms
(Link to these results)