| 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 | 39.9 | Very low | 39.7 | Very low | 226 Ų | 226 | 157.4 Ų | 157.4 | 100% | 1.113 | 81% | 0.814 | S | S | * | * | 0 | 78.7 | 0 | -80.4 | -137.8 | -167.6 | 0 | 0 | 105.4 | A3 | M1-A3 PolarHBondContact O-N 3.41Š| |||
| 2 | D | 33.5 | Very low | 39.1 | Very low | 128 Ų | 128 | 153.9 Ų | 153.9 | 68% | 0.684 | 81% | 0.805 | S | S | * | * | trans | -94.5 | 100.4 | -146.1 | -56.2 | -65.3 | 0 | 0 | 0 | 108.9 | L4 | D2-L4 VanDerWaalsContact C-N 3.31Š| ||
| 3 | A | 52.7 | Low | 38.1 | Very low | 91 Ų | 91 | 151.5 Ų | 151.5 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -92.5 | 10.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | M1 | M1-A3 PolarHBondContact O-N 3.41Š|
| 4 | L | 53.1 | Low | 37.7 | Very low | 163 Ų | 163 | 148.1 Ų | 148.1 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -118.2 | -3.3 | -174.7 | -136.7 | 108.4 | 0 | 0 | 0 | 114.5 | D2 | D2-L4 VanDerWaalsContact C-N 3.31Š|
| 5 | E | 36.8 | Very low | 36.9 | Very low | 168 Ų | 168 | 149.3 Ų | 149.3 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -97.5 | 5.5 | 177.1 | -77.7 | -159.3 | 136.9 | 0 | 0 | 114.1 | ||
| 6 | T | 41.7 | Very low | 36.8 | Very low | 117 Ų | 117 | 143.6 Ų | 143.6 | 72% | 0.718 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -100.8 | 13.6 | -178.3 | -30 | 0 | 0 | 0 | 0 | 114.1 | ||
| 7 | F | 39.9 | Very low | 36.5 | Very low | 191 Ų | 191 | 140.6 Ų | 140.6 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -120.2 | 6.5 | -176.9 | -94.1 | -82.1 | 0 | 0 | 0 | 115.5 | ||
| 8 | L | 35.9 | Very low | 36.6 | Very low | 171 Ų | 171 | 138.4 Ų | 138.4 | 90% | 0.895 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -123.4 | 12.1 | -179.5 | -90.6 | 168 | 0 | 0 | 0 | 115 | ||
| 9 | N | 32.6 | Very low | 36.9 | Very low | 132 Ų | 132 | 134.7 Ų | 134.7 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | trans | -117.2 | 75.6 | -179.9 | -155.6 | 26.6 | 0 | 0 | 0 | 112.3 | ||||
| 10 | E | 41.4 | Very low | 37.3 | Very low | 183 Ų | 183 | 137 Ų | 137 | 86% | 0.855 | 77% | 0.766 | S | S | * | * | trans | -111.8 | 53.7 | 157.1 | -140.6 | 169.5 | 160 | 0 | 0 | 108.3 | T12 | E10-T12 VanDerWaalsContact C-N 3.27Å; E10-T12 PolarHBondContact O-N 3.05Å | ||
| 11 | E | 29.2 | Very low | 38 | Very low | 161 Ų | 161 | 133.8 Ų | 133.8 | 75% | 0.752 | 75% | 0.752 | S | S | * | * | trans | -75.9 | 88.2 | 153 | -77.2 | -163.4 | 161.1 | 0 | 0 | 107.5 | T13 | E11-T13 PolarHBondContact O-N 3.15Š| ||
| 12 | T | 32.6 | Very low | 38.6 | Very low | 116 Ų | 116 | 126 Ų | 126 | 71% | 0.712 | 72% | 0.72 | S | S | * | * | trans | -64.3 | 95 | 154.4 | 47.7 | 0 | 0 | 0 | 0 | 107.5 | E10 S14 | E10-T12 VanDerWaalsContact C-N 3.27Å; E10-T12 PolarHBondContact O-N 3.05Å; T12-S14 PolarHBondContact O-N 3.22Å | ||
| 13 | T | 25.9 | Very low | 39.4 | Very low | 122 Ų | 122 | 124.7 Ų | 124.7 | 75% | 0.748 | 71% | 0.713 | S | S | * | * | trans | -50.6 | 93.3 | 148.3 | 7.8 | 0 | 0 | 0 | 0 | 107.4 | E11 | E11-T13 PolarHBondContact O-N 3.15Š| ||
| 14 | S | 32.7 | Very low | 39.7 | Very low | 105 Ų | 105 | 123.8 Ų | 123.8 | 73% | 0.734 | 69% | 0.692 | S | S | * | * | trans | -99 | 85.5 | 150.8 | 66.2 | 0 | 0 | 0 | 0 | 106.9 | T12 G16 | T12-S14 PolarHBondContact O-N 3.22Å; S14-G16 PolarHBondContact O-N 3.08Å | ||
| 15 | D | 26 | Very low | 40.5 | Very low | 166 Ų | 166 | 119.9 Ų | 119.9 | 89% | 0.888 | 67% | 0.674 | S | S | * | * | trans | -59.1 | 80.2 | 149.3 | -82.2 | -41.7 | 0 | 0 | 0 | 107.5 | ||||
| 16 | G | 35 | Very low | 42 | Very low | 57 Ų | 57 | 114.3 Ų | 114.3 | 59% | 0.588 | 65% | 0.654 | S | S | * | * | trans | -126.4 | 103.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 106 | S14 A18 | S14-G16 PolarHBondContact O-N 3.08Å; G16-A18 PolarHBondContact O-N 3.2Å; G16-A18 VanDerWaalsContact O-N 3.09Å | ||
| 17 | A | 32.6 | Very low | 43.5 | Very low | 93 Ų | 93 | 116.3 Ų | 116.3 | 77% | 0.769 | 66% | 0.655 | S | S | * | * | trans | -29.9 | 116 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | T19 | A17-T19 PolarHBondContact O-N 2.93Å; A17-T19 PolarHBondContact O-OG1 3.42Å | ||
| 18 | A | 38.4 | Very low | 45.3 | Very low | 102 Ų | 102 | 111.4 Ų | 111.4 | 84% | 0.843 | 64% | 0.635 | S | S | * | * | trans | -64.7 | 79.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | G16 R20 | G16-A18 PolarHBondContact O-N 3.2Å; G16-A18 VanDerWaalsContact O-N 3.09Å; A18-R20 PolarHBondContact O-N 3.4Å; A18-R20 VanDerWaalsContact O-N 3.07Å | ||
| 19 | T | 41.3 | Very low | 47.1 | Very low | 67 Ų | 67 | 104.4 Ų | 104.4 | 41% | 0.411 | 60% | 0.598 | S | S | . | * | trans | -51.7 | 116.6 | 168.4 | -60.9 | 0 | 0 | 0 | 0 | 105.6 | A17 D23 F24 | A17-T19 PolarHBondContact O-N 2.93Å; A17-T19 PolarHBondContact O-OG1 3.42Å; T19-D23 HydrophobicContact CG2-CB 3.56Å; T19-F24 HydrophobicContact CG2-CD2 4.11Å; T19-F24 HydrophobicContact CG2-CE2 3.67Å; T19-F24 HydrophobicContact CG2-CZ 4.09Å | ||
| 20 | R | 44.8 | Very low | 49.2 | Very low | 180 Ų | 180 | 100 Ų | 100 | 68% | 0.679 | 58% | 0.577 | S | S | * | * | trans | -55.6 | 141.6 | -176.8 | -65 | 178.8 | -161 | -141 | 3.8 | 106.3 | A18 S22 D23 | A18-R20 PolarHBondContact O-N 3.4Å; A18-R20 VanDerWaalsContact O-N 3.07Å; R20-S22 VanDerWaalsContact CB-OG 3.23Å; R20-S22 WeakPolarHBondContact CB-OG 3.33Å; R20-S22 PolarHBondContact O-N 3.29Å; R20-D23 PolarHBondContact O-N 3.24Å | ||
| 21 | P | 51.2 | Low | 51.1 | Low | 71 Ų | 71 | 95 Ų | 95 | 46% | 0.461 | 57% | 0.568 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -57.7 | -8.2 | 178.1 | 21.3 | -31.5 | 0 | 0 | 0 | 113.3 | D23 G116 | P21-D23 VanDerWaalsContact C-N 3.3Å; P21-G116 WeakPolarHBondContact CB-O 3.23Å |
| 22 | S | 52.9 | Low | 53.6 | Low | 63 Ų | 63 | 92.8 Ų | 92.8 | 44% | 0.441 | 56% | 0.56 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66 | -23.1 | 168.5 | 53.3 | 0 | 0 | 0 | 0 | 115.3 | R20 | R20-S22 VanDerWaalsContact CB-OG 3.23Å; R20-S22 WeakPolarHBondContact CB-OG 3.33Å; R20-S22 PolarHBondContact O-N 3.29Å |
| 23 | D | 50.4 | Low | 56.3 | Low | 100 Ų | 100 | 88.6 Ų | 88.6 | 54% | 0.535 | 54% | 0.535 | S | S | . | . | S | Bend | trans | -99.8 | -13.1 | -168.9 | -45.7 | -27.4 | 0 | 0 | 0 | 112 | T19 R20 P21 T25 | T19-D23 HydrophobicContact CG2-CB 3.56Å; R20-D23 PolarHBondContact O-N 3.24Å; P21-D23 VanDerWaalsContact C-N 3.3Å; D23-T25 PolarHBondContact O-N 2.85Å |
| 24 | F | 59.1 | Low | 59.3 | Low | 72 Ų | 72 | 84.6 Ų | 84.6 | 32% | 0.316 | 51% | 0.509 | S | S | . | . | S | Bend | trans | -78.2 | 125.9 | 173.8 | -73.5 | -76.8 | 0 | 0 | 0 | 110.7 | T19 Q28 L29 | T19-F24 HydrophobicContact CG2-CD2 4.11Å; T19-F24 HydrophobicContact CG2-CE2 3.67Å; T19-F24 HydrophobicContact CG2-CZ 4.09Å; F24-Q28 HydrophobicContact CB-CB 4.26Å; F24-Q28 HydrophobicContact CD1-CB 3.68Å; F24-Q28 HydrophobicContact CD1-CG 4.26Å; F24-Q28 HydrophobicContact CG-CB 4.42Å; F24-L29 HydrophobicContact CB-CD1 4.46Å; F24-L29 HydrophobicContact CB-CD2 3.87Å; F24-L29 HydrophobicContact CB-CG 3.8Å; F24-L29 HydrophobicContact CG-CD2 4.4Å |
| 25 | T | 69.3 | Low | 62 | Low | 80 Ų | 80 | 89 Ų | 89 | 49% | 0.491 | 52% | 0.517 | S | S | . | . | trans | -59.3 | 150.6 | 169.2 | 62.9 | 0 | 0 | 0 | 0 | 109.3 | D23 H27 Q28 L29 | D23-T25 PolarHBondContact O-N 2.85Å; T25-H27 PolarHBondContact O-N 3.33Å; T25-Q28 VanDerWaalsContact N-OE1 3.17Å; T25-Q28 PolarHBondContact O-N 3.4Å; T25-Q28 PolarHBondContact OG1-OE1 3.46Å; T25-L29 PolarHBondContact O-N 2.95Å | ||
| 26 | S | 69.9 | Low | 65.1 | Low | 51 Ų | 51 | 83.9 Ų | 83.9 | 36% | 0.357 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -53.4 | -25.4 | 179.7 | -164.8 | 0 | 0 | 0 | 0 | 112.5 | C30 G43 | S26-C30 PolarHBondContact O-N 3.47Å; S26-C30 PolarHBondContact O-SG 3.38Å; S26-G43 PolarHBondContact OG-N 3.34Å; S26-G43 VanDerWaalsContact OG-N 3.09Å |
| 27 | H | 73.2 | Confident | 67.6 | Low | 159 Ų | 159 | 81.6 Ų | 81.6 | 74% | 0.736 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -72.6 | -43.2 | 177.8 | -163.8 | -79.2 | 0 | 0 | 0 | 112.8 | T25 L29 C30 A31 | T25-H27 PolarHBondContact O-N 3.33Å; H27-L29 VanDerWaalsContact C-N 3.34Å; H27-L29 PolarHBondContact O-N 3.08Å; H27-C30 PolarHBondContact O-N 3.17Å; H27-A31 PolarHBondContact O-N 3.11Å |
| 28 | Q | 76.6 | Confident | 70.3 | Confident | 88 Ų | 88 | 81.2 Ų | 81.2 | 41% | 0.411 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -65.9 | -37.7 | 177 | -80.2 | 156.5 | -52.9 | 0 | 0 | 112.2 | F24 T25 C30 A31 | F24-Q28 HydrophobicContact CB-CB 4.26Å; F24-Q28 HydrophobicContact CD1-CB 3.68Å; F24-Q28 HydrophobicContact CD1-CG 4.26Å; F24-Q28 HydrophobicContact CG-CB 4.42Å; T25-Q28 VanDerWaalsContact N-OE1 3.17Å; T25-Q28 PolarHBondContact O-N 3.4Å; T25-Q28 PolarHBondContact OG1-OE1 3.46Å; Q28-C30 PolarHBondContact O-N 3.12Å; Q28-A31 WeakPolarHBondContact O-CB 3.44Å; Q28-A31 PolarHBondContact O-N 3.41Å; Q28-A31 VanDerWaalsContact O-N 3.11Å |
| 29 | L | 74.8 | Confident | 72.8 | Confident | 24 Ų | 24 | 79.4 Ų | 79.4 | 13% | 0.126 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -63.8 | -31.9 | 174.8 | -67.4 | 173.1 | 0 | 0 | 0 | 112.1 | F24 T25 H27 A31 L32 V33 P113 C114 | F24-L29 HydrophobicContact CB-CD1 4.46Å; F24-L29 HydrophobicContact CB-CD2 3.87Å; F24-L29 HydrophobicContact CB-CG 3.8Å; F24-L29 HydrophobicContact CG-CD2 4.4Å; T25-L29 PolarHBondContact O-N 2.95Å; H27-L29 VanDerWaalsContact C-N 3.34Å; H27-L29 PolarHBondContact O-N 3.08Å; L29-A31 VanDerWaalsContact C-N 3.27Å; L29-A31 PolarHBondContact O-N 3.42Å; L29-L32 PolarHBondContact O-N 2.91Å; L29-V33 WeakPolarHBondContact O-CG2 3.5Å; L29-P113 HydrophobicContact CB-CB 4Å; L29-P113 HydrophobicContact CB-CG 4.34Å; L29-P113 WeakPolarHBondContact O-CB 3.32Å; L29-C114 HydrophobicContact CD2-CB 4.31Å |
| 30 | C | 75.3 | Confident | 75.2 | Confident | 39 Ų | 39 | 79.1 Ų | 79.1 | 26% | 0.264 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -71.8 | -21.6 | 176 | -64.5 | 0 | 0 | 0 | 0 | 112.9 | S26 H27 Q28 L32 L40 | S26-C30 PolarHBondContact O-N 3.47Å; S26-C30 PolarHBondContact O-SG 3.38Å; H27-C30 PolarHBondContact O-N 3.17Å; Q28-C30 PolarHBondContact O-N 3.12Å; C30-L32 VanDerWaalsContact C-N 3.33Å; C30-L40 HydrophobicContact CB-CD2 4.02Å |
| 31 | A | 81.1 | Confident | 77.3 | Confident | 80 Ų | 80 | 70.7 Ų | 70.7 | 66% | 0.661 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -77.7 | -19 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | H27 Q28 L29 V33 | H27-A31 PolarHBondContact O-N 3.11Å; Q28-A31 WeakPolarHBondContact O-CB 3.44Å; Q28-A31 PolarHBondContact O-N 3.41Å; Q28-A31 VanDerWaalsContact O-N 3.11Å; L29-A31 VanDerWaalsContact C-N 3.27Å; L29-A31 PolarHBondContact O-N 3.42Å; A31-V33 VanDerWaalsContact C-N 3.33Å |
| 32 | L | 82.6 | Confident | 78.8 | Confident | 113 Ų | 113 | 69.6 Ų | 69.6 | 59% | 0.592 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | 13.9 | -178.5 | -63.3 | 170.3 | 0 | 0 | 0 | 112.8 | L29 C30 | L29-L32 PolarHBondContact O-N 2.91Å; C30-L32 VanDerWaalsContact C-N 3.33Å |
| 33 | V | 88.1 | Confident | 80.2 | Confident | 29 Ų | 29 | 68 Ų | 68 | 18% | 0.176 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -98.7 | 142.4 | -173.1 | 164.8 | 0 | 0 | 0 | 0 | 110.5 | L29 A31 A37 L40 P113 | L29-V33 WeakPolarHBondContact O-CG2 3.5Å; A31-V33 VanDerWaalsContact C-N 3.33Å; V33-A37 HydrophobicContact CG1-CB 3.21Å; V33-L40 HydrophobicContact CG1-CD1 4.06Å; V33-L40 HydrophobicContact CG1-CD2 4.37Å; V33-L40 HydrophobicContact CG2-CD1 4.27Å; V33-L40 HydrophobicContact CG2-CD2 4.47Å; V33-P113 VanDerWaalsContact CG2-CA 3.43Å; V33-P113 HydrophobicContact CG2-CB 3.66Å; V33-P113 WeakPolarHBondContact CG2-O 3.46Å |
| 34 | N | 90 | Very high | 81.9 | Confident | 38 Ų | 38 | 72 Ų | 72 | 20% | 0.203 | 40% | 0.403 | C | S | . | . | trans | -64.6 | 148.3 | 175.2 | -62.2 | -11.5 | 0 | 0 | 0 | 111.6 | I36 A37 G87 V89 I92 Y95 | N34-I36 HydrophobicContact CB-CG1 4.28Å; N34-I36 PolarHBondContact O-N 2.96Å; N34-I36 VanDerWaalsContact O-N 3.15Å; N34-A37 WeakPolarHBondContact O-CB 3.37Å; N34-A37 PolarHBondContact O-N 3.17Å; N34-G87 WeakPolarHBondContact CB-O 3.32Å; N34-G87 VanDerWaalsContact CG-O 3.26Å; N34-G87 PolarHBondContact N-O 2.96Å; N34-V89 PolarHBondContact ND2-O 3.08Å; N34-I92 HydrophobicContact CB-CD1 3.87Å; N34-I92 HydrophobicContact CB-CG1 4.41Å; N34-Y95 PolarHBondContact ND2-OH 3.06Å | ||
| 35 | E | 88.9 | Confident | 83.3 | Confident | 197 Ų | 197 | 73 Ų | 73 | 92% | 0.921 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -28 | -178.1 | -62 | 179.1 | 177.9 | 0 | 0 | 113.9 | A37 | E35-A37 PolarHBondContact O-N 2.9Š|
| 36 | I | 90.5 | Very high | 84.1 | Confident | 59 Ų | 59 | 69.4 Ų | 69.4 | 30% | 0.303 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -7.7 | 178.2 | 68.7 | 168.1 | 0 | 0 | 0 | 113.4 | N34 S38 I92 Y95 C96 | N34-I36 HydrophobicContact CB-CG1 4.28Å; N34-I36 PolarHBondContact O-N 2.96Å; N34-I36 VanDerWaalsContact O-N 3.15Å; I36-S38 PolarHBondContact O-N 2.91Å; I36-I92 HydrophobicContact CB-CD1 4.37Å; I36-I92 HydrophobicContact CD1-CD1 3.93Å; I36-I92 HydrophobicContact CD1-CG1 3.45Å; I36-I92 VanDerWaalsContact CD1-CG1 3.45Å; I36-I92 HydrophobicContact CG1-CD1 3.83Å; I36-I92 HydrophobicContact CG1-CG1 3.91Å; I36-I92 HydrophobicContact CG2-CD1 3.78Å; I36-I92 HydrophobicContact CG2-CG1 4.41Å; I36-Y95 HydrophobicContact CD1-CD2 4.23Å; I36-Y95 HydrophobicContact CD1-CE1 4.28Å; I36-Y95 HydrophobicContact CD1-CE2 3.58Å; I36-Y95 HydrophobicContact CG1-CE2 4.22Å; I36-C96 HydrophobicContact CD1-CB 3.92Å |
| 37 | A | 88.9 | Confident | 84.8 | Confident | 8 Ų | 8 | 74.1 Ų | 74.1 | 7% | 0.066 | 40% | 0.404 | C | S | . | . | trans | -80 | 57.5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113 | V33 N34 E35 L40 H111 | V33-A37 HydrophobicContact CG1-CB 3.21Å; N34-A37 WeakPolarHBondContact O-CB 3.37Å; N34-A37 PolarHBondContact O-N 3.17Å; E35-A37 PolarHBondContact O-N 2.9Å; A37-L40 HydrophobicContact CB-CD1 4.42Å; A37-L40 WeakPolarHBondContact O-CB 3.32Å; A37-L40 PolarHBondContact O-N 3.14Å; A37-H111 VanDerWaalsContact CA-ND1 3.33Å; A37-H111 WeakPolarHBondContact CA-ND1 3.46Å; A37-H111 HydrophobicContact CB-CB 3.85Å; A37-H111 WeakPolarHBondContact CB-ND1 3.5Å | ||
| 38 | S | 88.3 | Confident | 85.5 | Confident | 85 Ų | 85 | 73.8 Ų | 73.8 | 59% | 0.594 | 40% | 0.4 | S | S | * | . | trans | -114.7 | 124.3 | 172.3 | -175.1 | 0 | 0 | 0 | 0 | 108.8 | I36 Y109 | I36-S38 PolarHBondContact O-N 2.91Å; S38-Y109 WeakPolarHBondContact O-CE2 3.26Å | ||
| 39 | P | 92.3 | Very high | 86.2 | Confident | 64 Ų | 64 | 70.2 Ų | 70.2 | 42% | 0.416 | 38% | 0.384 | S | S | . | . | S | Bend | cis | -84.3 | 136.9 | 2.1 | 31.5 | -32.9 | 0 | 0 | 0 | 114 | H111 | P39-H111 PolarHBondContact O-N 2.8Š|
| 40 | L | 90 | Very high | 86.7 | Confident | 62 Ų | 62 | 70.8 Ų | 70.8 | 33% | 0.325 | 39% | 0.385 | S | S | . | . | B | Isolated β-bridge | trans | -93.8 | 121.8 | 177 | -169 | 65.3 | 0 | 0 | 0 | 112.2 | C30 V33 A37 A42 H111 P113 | C30-L40 HydrophobicContact CB-CD2 4.02Å; V33-L40 HydrophobicContact CG1-CD1 4.06Å; V33-L40 HydrophobicContact CG1-CD2 4.37Å; V33-L40 HydrophobicContact CG2-CD1 4.27Å; V33-L40 HydrophobicContact CG2-CD2 4.47Å; A37-L40 HydrophobicContact CB-CD1 4.42Å; A37-L40 WeakPolarHBondContact O-CB 3.32Å; A37-L40 PolarHBondContact O-N 3.14Å; L40-A42 PolarHBondContact O-N 3.31Å; L40-H111 HydrophobicContact CD1-CB 4.1Å; L40-P113 HydrophobicContact CD1-CB 4.32Å |
| 41 | A | 89 | Confident | 87.2 | Confident | 2 Ų | 2 | 74.6 Ų | 74.6 | 2% | 0.017 | 40% | 0.397 | C | S | . | . | trans | -84.8 | 110.9 | 171 | 0 | 0 | 0 | 0 | 0 | 111.2 | L45 A46 L49 V110 H111 P113 | A41-L45 HydrophobicContact CB-CB 4.35Å; A41-L45 HydrophobicContact CB-CD2 3.75Å; A41-L45 HydrophobicContact CB-CG 3.91Å; A41-A46 WeakPolarHBondContact O-CB 3.28Å; A41-L49 HydrophobicContact CB-CD1 3.49Å; A41-L49 VanDerWaalsContact CB-CD1 3.49Å; A41-V110 HydrophobicContact CB-CG2 3.61Å; A41-H111 PolarHBondContact N-O 3.5Å; A41-P113 WeakPolarHBondContact O-CD 3.17Å | ||
| 42 | A | 83.4 | Confident | 87.6 | Confident | 49 Ų | 49 | 74.8 Ų | 74.8 | 41% | 0.405 | 39% | 0.387 | S | S | . | . | trans | -108.1 | 161.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113 | L40 K44 | L40-A42 PolarHBondContact O-N 3.31Å; A42-K44 PolarHBondContact O-N 2.78Å | ||
| 43 | G | 83.1 | Confident | 87.7 | Confident | 28 Ų | 28 | 71.5 Ų | 71.5 | 29% | 0.289 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.5 | -120.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | S26 K47 | S26-G43 PolarHBondContact OG-N 3.34Å; S26-G43 VanDerWaalsContact OG-N 3.09Å; G43-K47 PolarHBondContact O-N 2.83Å |
| 44 | K | 85.8 | Confident | 87.5 | Confident | 184 Ų | 184 | 74.8 Ų | 74.8 | 80% | 0.8 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -69.5 | -33.9 | -174.5 | -63.9 | -179.1 | -175.5 | 173.6 | 0 | 112.4 | A42 K47 K48 | A42-K44 PolarHBondContact O-N 2.78Å; K44-K47 PolarHBondContact O-N 3.12Å; K44-K48 PolarHBondContact O-N 3.42Å |
| 45 | L | 87.9 | Confident | 87.4 | Confident | 94 Ų | 94 | 79.5 Ų | 79.5 | 49% | 0.492 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -68.3 | -45.8 | -179.9 | -177.4 | 60.4 | 0 | 0 | 0 | 110.6 | A41 K47 K48 L49 | A41-L45 HydrophobicContact CB-CB 4.35Å; A41-L45 HydrophobicContact CB-CD2 3.75Å; A41-L45 HydrophobicContact CB-CG 3.91Å; L45-K47 VanDerWaalsContact C-N 3.31Å; L45-K47 PolarHBondContact O-N 2.89Å; L45-K48 WeakPolarHBondContact O-CB 3.36Å; L45-K48 PolarHBondContact O-N 3.39Å; L45-L49 HydrophobicContact CG-CD1 4.18Å; L45-L49 HydrophobicContact CG-CG 4.45Å; L45-L49 WeakPolarHBondContact O-CG 3.34Å; L45-L49 PolarHBondContact O-N 3.05Å |
| 46 | A | 86.9 | Confident | 87.3 | Confident | 5 Ų | 5 | 71.1 Ų | 71.1 | 4% | 0.041 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -52.5 | -49 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | A41 K48 L49 Y50 I112 | A41-A46 WeakPolarHBondContact O-CB 3.28Å; A46-K48 PolarHBondContact O-N 3.24Å; A46-L49 WeakPolarHBondContact O-CB 3.42Å; A46-L49 PolarHBondContact O-N 3.39Å; A46-Y50 VanDerWaalsContact C-CD2 3.43Å; A46-Y50 HydrophobicContact CB-CD2 4.37Å; A46-Y50 HydrophobicContact CB-CE2 3.88Å; A46-Y50 WeakPolarHBondContact O-CD2 3.39Å; A46-Y50 PolarHBondContact O-N 3.24Å; A46-I112 HydrophobicContact CB-CG2 4Å |
| 47 | K | 83.9 | Confident | 87.1 | Confident | 149 Ų | 149 | 70.4 Ų | 70.4 | 65% | 0.648 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -57 | -33.5 | 177.2 | -70.8 | 176.7 | -178.3 | -179.1 | 0 | 113.9 | G43 K44 L45 K51 | G43-K47 PolarHBondContact O-N 2.83Å; K44-K47 PolarHBondContact O-N 3.12Å; L45-K47 VanDerWaalsContact C-N 3.31Å; L45-K47 PolarHBondContact O-N 2.89Å; K47-K51 WeakPolarHBondContact O-CG 3.39Å |
| 48 | K | 88.6 | Confident | 87 | Confident | 152 Ų | 152 | 76.2 Ų | 76.2 | 66% | 0.661 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -74.7 | -43.4 | 174.6 | -66.8 | -178.6 | -178.1 | -178.6 | 0 | 110.9 | K44 L45 A46 Y50 K51 L52 | K44-K48 PolarHBondContact O-N 3.42Å; L45-K48 WeakPolarHBondContact O-CB 3.36Å; L45-K48 PolarHBondContact O-N 3.39Å; A46-K48 PolarHBondContact O-N 3.24Å; K48-Y50 VanDerWaalsContact C-N 3.31Å; K48-Y50 PolarHBondContact O-N 3.1Å; K48-K51 PolarHBondContact O-N 3.15Å; K48-K51 VanDerWaalsContact O-N 3.1Å; K48-L52 PolarHBondContact O-N 2.94Å |
| 49 | L | 89.8 | Confident | 86.9 | Confident | 13 Ų | 13 | 79.2 Ų | 79.2 | 7% | 0.068 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -61 | -37.9 | 177.7 | -67.7 | 173.1 | 0 | 0 | 0 | 112 | A41 L45 A46 K51 L52 P53 L82 V84 V110 I112 | A41-L49 HydrophobicContact CB-CD1 3.49Å; A41-L49 VanDerWaalsContact CB-CD1 3.49Å; L45-L49 HydrophobicContact CG-CD1 4.18Å; L45-L49 HydrophobicContact CG-CG 4.45Å; L45-L49 WeakPolarHBondContact O-CG 3.34Å; L45-L49 PolarHBondContact O-N 3.05Å; A46-L49 WeakPolarHBondContact O-CB 3.42Å; A46-L49 PolarHBondContact O-N 3.39Å; L49-K51 VanDerWaalsContact C-N 3.31Å; L49-K51 PolarHBondContact O-N 2.97Å; L49-L52 PolarHBondContact O-N 3.19Å; L49-P53 WeakPolarHBondContact O-CD 3.39Å; L49-L82 HydrophobicContact CD2-CD2 3.74Å; L49-V84 HydrophobicContact CD2-CG2 4.46Å; L49-V110 HydrophobicContact CD1-CG1 3.67Å; L49-V110 HydrophobicContact CD1-CG2 4.06Å; L49-V110 HydrophobicContact CD2-CG1 4.1Å; L49-I112 HydrophobicContact CB-CD1 3.9Å; L49-I112 HydrophobicContact CB-CG1 4.39Å; L49-I112 HydrophobicContact CD1-CD1 4.44Å; L49-I112 HydrophobicContact CD1-CG1 4.05Å |
| 50 | Y | 85.5 | Confident | 86.4 | Confident | 36 Ų | 36 | 77.4 Ų | 77.4 | 14% | 0.141 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -66 | -32 | 174.6 | -66.7 | -63 | 0 | 0 | 0 | 113.5 | A46 K48 I112 C114 A117 | A46-Y50 VanDerWaalsContact C-CD2 3.43Å; A46-Y50 HydrophobicContact CB-CD2 4.37Å; A46-Y50 HydrophobicContact CB-CE2 3.88Å; A46-Y50 WeakPolarHBondContact O-CD2 3.39Å; A46-Y50 PolarHBondContact O-N 3.24Å; K48-Y50 VanDerWaalsContact C-N 3.31Å; K48-Y50 PolarHBondContact O-N 3.1Å; Y50-I112 HydrophobicContact CD1-CD1 4.36Å; Y50-I112 HydrophobicContact CE1-CD1 4.16Å; Y50-I112 HydrophobicContact CE1-CG2 3.8Å; Y50-I112 HydrophobicContact CE2-CG2 3.67Å; Y50-I112 WeakPolarHBondContact OH-CG2 3.48Å; Y50-C114 WeakPolarHBondContact CE1-O 3.44Å; Y50-C114 PolarHBondContact OH-O 2.91Å; Y50-C114 PolarHBondContact OH-SG 3.09Å; Y50-C114 VanDerWaalsContact OH-SG 3.34Å; Y50-A117 HydrophobicContact CD1-CB 3.99Å; Y50-A117 HydrophobicContact CD2-CB 3.33Å; Y50-A117 HydrophobicContact CE1-CB 3.73Å; Y50-A117 HydrophobicContact CE2-CB 3.04Å; Y50-A117 HydrophobicContact CG-CB 3.79Å |
| 51 | K | 87.1 | Confident | 85.7 | Confident | 120 Ų | 120 | 83.8 Ų | 83.8 | 52% | 0.522 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -79.3 | -20.2 | 177 | -66.9 | 177.5 | -177.3 | -173.7 | 0 | 112.7 | K47 K48 L49 K55 T119 | K47-K51 WeakPolarHBondContact O-CG 3.39Å; K48-K51 PolarHBondContact O-N 3.15Å; K48-K51 VanDerWaalsContact O-N 3.1Å; L49-K51 VanDerWaalsContact C-N 3.31Å; L49-K51 PolarHBondContact O-N 2.97Å; K51-K55 WeakPolarHBondContact O-CG 3.46Å; K51-K55 PolarHBondContact O-N 3.39Å; K51-T119 HydrophobicContact CG-CG2 3.98Å |
| 52 | L | 88.1 | Confident | 85.3 | Confident | 84 Ų | 84 | 90.8 Ų | 90.8 | 44% | 0.44 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -68.3 | -49.4 | -172.3 | -176.4 | 76.3 | 0 | 0 | 0 | 112.8 | K48 L49 R54 K55 S56 L82 | K48-L52 PolarHBondContact O-N 2.94Å; L49-L52 PolarHBondContact O-N 3.19Å; L52-R54 VanDerWaalsContact C-N 3.25Å; L52-R54 PolarHBondContact O-N 2.84Å; L52-K55 PolarHBondContact O-N 3.11Å; L52-S56 VanDerWaalsContact O-CB 3.26Å; L52-S56 WeakPolarHBondContact O-CB 3.04Å; L52-S56 PolarHBondContact O-N 3.35Å; L52-L82 HydrophobicContact CD2-CD2 4.08Å |
| 53 | P | 86.4 | Confident | 85.4 | Confident | 44 Ų | 44 | 96 Ų | 96 | 29% | 0.286 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -56.3 | -38.9 | 176.2 | -27.4 | 33.4 | 0 | 0 | 0 | 113 | L49 S56 S57 | L49-P53 WeakPolarHBondContact O-CD 3.39Å; P53-S56 PolarHBondContact O-N 3.47Å; P53-S57 VanDerWaalsContact O-CB 3.28Å; P53-S57 WeakPolarHBondContact O-CB 3.45Å; P53-S57 PolarHBondContact O-N 3.15Å |
| 54 | R | 83.6 | Confident | 85.6 | Confident | 98 Ų | 98 | 95.7 Ų | 95.7 | 37% | 0.37 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.5 | -51.9 | 178.6 | -170 | 173 | -175.1 | -122 | 2 | 111.5 | L52 S56 S57 E58 P122 | L52-R54 VanDerWaalsContact C-N 3.25Å; L52-R54 PolarHBondContact O-N 2.84Å; R54-S56 VanDerWaalsContact C-N 3.28Å; R54-S56 PolarHBondContact O-N 3.4Å; R54-S57 WeakPolarHBondContact O-CB 3.26Å; R54-S57 PolarHBondContact O-N 2.95Å; R54-E58 WeakPolarHBondContact O-CG 3.46Å; R54-E58 PolarHBondContact O-N 2.94Å; R54-P122 PolarHBondContact NE-O 2.82Å; R54-P122 VanDerWaalsContact NE-O 3.14Å; R54-P122 PolarHBondContact NH2-O 2.81Å |
| 55 | K | 87.1 | Confident | 85.8 | Confident | 136 Ų | 136 | 90.6 Ų | 90.6 | 59% | 0.591 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -62.2 | -35.1 | 176.4 | -70.1 | -174.6 | 174.8 | -164.5 | 0 | 113 | K51 L52 | K51-K55 WeakPolarHBondContact O-CG 3.46Å; K51-K55 PolarHBondContact O-N 3.39Å; L52-K55 PolarHBondContact O-N 3.11Å |
| 56 | S | 86.8 | Confident | 85.8 | Confident | 22 Ų | 22 | 92.3 Ų | 92.3 | 15% | 0.154 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -73.8 | -36.8 | 179.9 | -169.5 | 0 | 0 | 0 | 0 | 111.6 | L52 P53 R54 E58 Q59 Y63 | L52-S56 VanDerWaalsContact O-CB 3.26Å; L52-S56 WeakPolarHBondContact O-CB 3.04Å; L52-S56 PolarHBondContact O-N 3.35Å; P53-S56 PolarHBondContact O-N 3.47Å; R54-S56 VanDerWaalsContact C-N 3.28Å; R54-S56 PolarHBondContact O-N 3.4Å; S56-E58 VanDerWaalsContact C-N 3.31Å; S56-E58 PolarHBondContact O-N 3.3Å; S56-Q59 PolarHBondContact O-N 3.33Å; S56-Y63 VanDerWaalsContact OG-CB 3.3Å; S56-Y63 WeakPolarHBondContact OG-CB 3.14Å; S56-Y63 PolarHBondContact OG-O 3.09Å |
| 57 | S | 85.7 | Confident | 85.9 | Confident | 44 Ų | 44 | 94.4 Ų | 94.4 | 31% | 0.308 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -61.3 | -39.1 | 173.3 | -173 | 0 | 0 | 0 | 0 | 112.1 | P53 R54 Q59 G60 Y66 | P53-S57 VanDerWaalsContact O-CB 3.28Å; P53-S57 WeakPolarHBondContact O-CB 3.45Å; P53-S57 PolarHBondContact O-N 3.15Å; R54-S57 WeakPolarHBondContact O-CB 3.26Å; R54-S57 PolarHBondContact O-N 2.95Å; S57-Q59 VanDerWaalsContact C-N 3.27Å; S57-Q59 PolarHBondContact O-N 2.97Å; S57-G60 PolarHBondContact O-N 3.22Å; S57-Y66 WeakPolarHBondContact CB-OH 3.36Å |
| 58 | E | 87.1 | Confident | 86.2 | Confident | 130 Ų | 130 | 90.2 Ų | 90.2 | 61% | 0.607 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -62.3 | -30.1 | 176.3 | -69.6 | 165.5 | -169.7 | 0 | 0 | 112.9 | R54 S56 | R54-E58 WeakPolarHBondContact O-CG 3.46Å; R54-E58 PolarHBondContact O-N 2.94Å; S56-E58 VanDerWaalsContact C-N 3.31Å; S56-E58 PolarHBondContact O-N 3.3Å |
| 59 | Q | 86.3 | Confident | 86.4 | Confident | 147 Ų | 147 | 88.3 Ų | 88.3 | 69% | 0.687 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -77.2 | -22.2 | 178 | -69.9 | -174.9 | -39.5 | 0 | 0 | 113.4 | S56 S57 Y63 | S56-Q59 PolarHBondContact O-N 3.33Å; S57-Q59 VanDerWaalsContact C-N 3.27Å; S57-Q59 PolarHBondContact O-N 2.97Å; Q59-Y63 HydrophobicContact CB-CD2 3.96Å; Q59-Y63 HydrophobicContact CB-CE2 4.27Å |
| 60 | G | 81.5 | Confident | 86.5 | Confident | 27 Ų | 27 | 89.5 Ų | 89.5 | 28% | 0.278 | 45% | 0.453 | S | S | . | . | trans | 145 | 159.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | S57 N62 Y63 | S57-G60 PolarHBondContact O-N 3.22Å; G60-N62 PolarHBondContact O-N 3.3Å; G60-N62 VanDerWaalsContact O-N 3.09Å; G60-Y63 PolarHBondContact O-N 3.18Å | ||
| 61 | K | 76.2 | Confident | 86.8 | Confident | 195 Ų | 195 | 89.1 Ų | 89.1 | 85% | 0.848 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -23.3 | -175.9 | -83.7 | -178.9 | 174.6 | 179.4 | 0 | 115.2 | ||
| 62 | N | 79.8 | Confident | 87 | Confident | 150 Ų | 150 | 85.2 Ų | 85.2 | 80% | 0.802 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -15.1 | -177 | -69 | -7.4 | 0 | 0 | 0 | 113.3 | G60 | G60-N62 PolarHBondContact O-N 3.3Å; G60-N62 VanDerWaalsContact O-N 3.09Å |
| 63 | Y | 85.4 | Confident | 87.2 | Confident | 159 Ų | 159 | 87.5 Ų | 87.5 | 62% | 0.624 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -25.1 | -177 | -65.4 | -78.5 | 0 | 0 | 0 | 113.2 | S56 Q59 G60 | S56-Y63 VanDerWaalsContact OG-CB 3.3Å; S56-Y63 WeakPolarHBondContact OG-CB 3.14Å; S56-Y63 PolarHBondContact OG-O 3.09Å; Q59-Y63 HydrophobicContact CB-CD2 3.96Å; Q59-Y63 HydrophobicContact CB-CE2 4.27Å; G60-Y63 PolarHBondContact O-N 3.18Å |
| 64 | C | 88.4 | Confident | 87.5 | Confident | 21 Ų | 21 | 86 Ų | 86 | 14% | 0.142 | 44% | 0.437 | C | S | . | . | trans | -121.5 | 116.9 | 178.4 | -150.7 | 0 | 0 | 0 | 0 | 110.7 | Y66 | C64-Y66 HydrophobicContact CB-CE1 4.37Å; C64-Y66 HydrophobicContact CB-CE2 4.15Å; C64-Y66 WeakPolarHBondContact CB-OH 3.47Å; C64-Y66 WeakPolarHBondContact SG-CE1 3.5Å; C64-Y66 PolarHBondContact SG-OH 3.21Å | ||
| 65 | I | 89 | Confident | 87.9 | Confident | 76 Ų | 76 | 81.8 Ų | 81.8 | 39% | 0.39 | 42% | 0.421 | S | S | . | . | trans | -113.9 | 127.1 | -179.9 | -57.2 | 176.2 | 0 | 0 | 0 | 107.7 | A70 V71 A74 | I65-A70 HydrophobicContact CG2-CB 3.62Å; I65-V71 HydrophobicContact CG2-CG2 4.22Å; I65-A74 HydrophobicContact CD1-CB 3.51Å | ||
| 66 | Y | 88.9 | Confident | 88 | Confident | 131 Ų | 131 | 83.9 Ų | 83.9 | 51% | 0.514 | 43% | 0.425 | S | S | . | . | trans | -113.3 | 146.2 | -177.9 | -46.8 | -81.5 | 0 | 0 | 0 | 110.9 | S57 C64 A70 | S57-Y66 WeakPolarHBondContact CB-OH 3.36Å; C64-Y66 HydrophobicContact CB-CE1 4.37Å; C64-Y66 HydrophobicContact CB-CE2 4.15Å; C64-Y66 WeakPolarHBondContact CB-OH 3.47Å; C64-Y66 WeakPolarHBondContact SG-CE1 3.5Å; C64-Y66 PolarHBondContact SG-OH 3.21Å; Y66-A70 WeakPolarHBondContact O-CB 3.33Å | ||
| 67 | G | 89.3 | Confident | 88.2 | Confident | 49 Ų | 49 | 90.7 Ų | 90.7 | 51% | 0.505 | 45% | 0.452 | S | S | . | . | S | Bend | trans | 91.7 | 146.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | T69 A70 V71 | G67-T69 PolarHBondContact O-N 2.94Å; G67-A70 PolarHBondContact O-N 3.21Å; G67-V71 WeakPolarHBondContact O-CB 3.36Å; G67-V71 WeakPolarHBondContact O-CG2 3.22Å; G67-V71 PolarHBondContact O-N 3.46Å |
| 68 | I | 90.5 | Very high | 88.4 | Confident | 60 Ų | 60 | 91.1 Ų | 91.1 | 31% | 0.308 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.3 | -48.5 | -174.1 | -82.1 | 164.3 | 0 | 0 | 0 | 112.3 | A70 V71 Q72 I94 I98 | I68-A70 VanDerWaalsContact C-N 3.34Å; I68-A70 PolarHBondContact O-N 3.02Å; I68-V71 PolarHBondContact O-N 3.42Å; I68-Q72 WeakPolarHBondContact O-CB 3.42Å; I68-Q72 VanDerWaalsContact O-CG 3.28Å; I68-Q72 WeakPolarHBondContact O-CG 3.2Å; I68-Q72 PolarHBondContact O-N 2.78Å; I68-I94 HydrophobicContact CD1-CG2 3.22Å; I68-I94 WeakPolarHBondContact CD1-O 3.39Å; I68-I98 HydrophobicContact CB-CD1 4.44Å; I68-I98 HydrophobicContact CG1-CD1 3.88Å; I68-I98 HydrophobicContact CG2-CD1 4.25Å |
| 69 | T | 92.1 | Very high | 88.4 | Confident | 112 Ų | 112 | 87 Ų | 87 | 69% | 0.687 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -65.3 | -38.5 | -176.9 | 53.7 | 0 | 0 | 0 | 0 | 111.9 | G67 K73 | G67-T69 PolarHBondContact O-N 2.94Å; T69-K73 WeakPolarHBondContact O-CB 3.44Å; T69-K73 PolarHBondContact O-N 2.82Å |
| 70 | A | 91.9 | Very high | 88.4 | Confident | 38 Ų | 38 | 86.6 Ų | 86.6 | 31% | 0.314 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -70.7 | -44.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | I65 Y66 G67 I68 K73 A74 | I65-A70 HydrophobicContact CG2-CB 3.62Å; Y66-A70 WeakPolarHBondContact O-CB 3.33Å; G67-A70 PolarHBondContact O-N 3.21Å; I68-A70 VanDerWaalsContact C-N 3.34Å; I68-A70 PolarHBondContact O-N 3.02Å; A70-K73 PolarHBondContact O-N 3.39Å; A70-A74 WeakPolarHBondContact O-CB 3.29Å; A70-A74 PolarHBondContact O-N 3.29Å |
| 71 | V | 91.4 | Very high | 88.8 | Confident | 29 Ų | 29 | 87.6 Ų | 87.6 | 18% | 0.176 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -60.9 | -46.3 | 176.2 | 169.4 | 0 | 0 | 0 | 0 | 110.6 | I65 G67 I68 K73 A74 I75 | I65-V71 HydrophobicContact CG2-CG2 4.22Å; G67-V71 WeakPolarHBondContact O-CB 3.36Å; G67-V71 WeakPolarHBondContact O-CG2 3.22Å; G67-V71 PolarHBondContact O-N 3.46Å; I68-V71 PolarHBondContact O-N 3.42Å; V71-K73 VanDerWaalsContact C-N 3.34Å; V71-K73 PolarHBondContact O-N 3.35Å; V71-A74 WeakPolarHBondContact O-CB 3.3Å; V71-A74 PolarHBondContact O-N 2.87Å; V71-A74 VanDerWaalsContact O-N 3.17Å; V71-I75 HydrophobicContact CG1-CD1 3.7Å; V71-I75 HydrophobicContact CG1-CG1 4.41Å; V71-I75 VanDerWaalsContact O-CG1 3.32Å; V71-I75 WeakPolarHBondContact O-CG1 3.46Å; V71-I75 PolarHBondContact O-N 3.29Å |
| 72 | Q | 91.4 | Very high | 89.6 | Confident | 38 Ų | 38 | 82.1 Ų | 82.1 | 18% | 0.178 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -59.3 | -43.3 | 175 | -76.1 | -175.4 | -46.9 | 0 | 0 | 112.6 | I68 A74 I75 R76 H97 | I68-Q72 WeakPolarHBondContact O-CB 3.42Å; I68-Q72 VanDerWaalsContact O-CG 3.28Å; I68-Q72 WeakPolarHBondContact O-CG 3.2Å; I68-Q72 PolarHBondContact O-N 2.78Å; Q72-A74 VanDerWaalsContact C-N 3.3Å; Q72-A74 PolarHBondContact O-N 3.5Å; Q72-I75 PolarHBondContact O-N 2.79Å; Q72-R76 WeakPolarHBondContact O-CB 3.5Å; Q72-R76 VanDerWaalsContact O-CG 3.32Å; Q72-R76 WeakPolarHBondContact O-CG 3.43Å; Q72-R76 PolarHBondContact O-N 2.76Å; Q72-H97 PolarHBondContact NE2-CD2 3.38Å; Q72-H97 PolarHBondContact NE2-NE2 3Å |
| 73 | K | 92.4 | Very high | 90.2 | Very high | 131 Ų | 131 | 75.6 Ų | 75.6 | 57% | 0.57 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -64.1 | -37.8 | 177.5 | -169.2 | 174.7 | -174.6 | 175.4 | 0 | 111.4 | T69 A70 V71 K77 | T69-K73 WeakPolarHBondContact O-CB 3.44Å; T69-K73 PolarHBondContact O-N 2.82Å; A70-K73 PolarHBondContact O-N 3.39Å; V71-K73 VanDerWaalsContact C-N 3.34Å; V71-K73 PolarHBondContact O-N 3.35Å; K73-K77 WeakPolarHBondContact O-CB 3.33Å; K73-K77 VanDerWaalsContact O-CG 3.32Å; K73-K77 WeakPolarHBondContact O-CG 3.44Å; K73-K77 PolarHBondContact O-N 2.77Å; K73-K77 VanDerWaalsContact O-N 3.08Å |
| 74 | A | 91.9 | Very high | 90.5 | Very high | 14 Ų | 14 | 70.7 Ų | 70.7 | 12% | 0.116 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -65.7 | -47.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | I65 A70 V71 Q72 R76 K77 G78 A79 | I65-A74 HydrophobicContact CD1-CB 3.51Å; A70-A74 WeakPolarHBondContact O-CB 3.29Å; A70-A74 PolarHBondContact O-N 3.29Å; V71-A74 WeakPolarHBondContact O-CB 3.3Å; V71-A74 PolarHBondContact O-N 2.87Å; V71-A74 VanDerWaalsContact O-N 3.17Å; Q72-A74 VanDerWaalsContact C-N 3.3Å; Q72-A74 PolarHBondContact O-N 3.5Å; A74-R76 VanDerWaalsContact C-N 3.32Å; A74-R76 PolarHBondContact O-N 2.84Å; A74-K77 CarbonylContact O-C 3.59Å; A74-K77 PolarHBondContact O-N 3.35Å; A74-K77 VanDerWaalsContact O-N 3.11Å; A74-G78 PolarHBondContact O-N 2.87Å; A74-A79 HydrophobicContact CB-CB 3.88Å; A74-A79 VanDerWaalsContact O-CB 3.26Å; A74-A79 WeakPolarHBondContact O-CB 3.26Å; A74-A79 PolarHBondContact O-N 3.16Å |
| 75 | I | 92 | Very high | 90.6 | Very high | 8 Ų | 8 | 70.4 Ų | 70.4 | 4% | 0.041 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -61.8 | -41.6 | 177.3 | -64.2 | 163.1 | 0 | 0 | 0 | 110.7 | V71 Q72 K77 G78 V101 K105 | V71-I75 HydrophobicContact CG1-CD1 3.7Å; V71-I75 HydrophobicContact CG1-CG1 4.41Å; V71-I75 VanDerWaalsContact O-CG1 3.32Å; V71-I75 WeakPolarHBondContact O-CG1 3.46Å; V71-I75 PolarHBondContact O-N 3.29Å; Q72-I75 PolarHBondContact O-N 2.79Å; I75-K77 VanDerWaalsContact C-N 3.29Å; I75-K77 PolarHBondContact O-N 3.39Å; I75-G78 PolarHBondContact O-N 3.27Å; I75-V101 HydrophobicContact CG2-CG1 3.84Å; I75-K105 HydrophobicContact CG2-CB 4.07Å; I75-K105 HydrophobicContact CG2-CG 3.89Å |
| 76 | R | 90.3 | Very high | 90.7 | Very high | 180 Ų | 180 | 67.6 Ų | 67.6 | 68% | 0.679 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -62.1 | -35.5 | 175.2 | -75.7 | 177.4 | -177.5 | 163.4 | 2 | 113 | Q72 A74 G78 | Q72-R76 WeakPolarHBondContact O-CB 3.5Å; Q72-R76 VanDerWaalsContact O-CG 3.32Å; Q72-R76 WeakPolarHBondContact O-CG 3.43Å; Q72-R76 PolarHBondContact O-N 2.76Å; A74-R76 VanDerWaalsContact C-N 3.32Å; A74-R76 PolarHBondContact O-N 2.84Å; R76-G78 PolarHBondContact O-N 3.22Å |
| 77 | K | 91.3 | Very high | 90.7 | Very high | 165 Ų | 165 | 61.4 Ų | 61.4 | 72% | 0.717 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -3.9 | 175.2 | -74.4 | -179.9 | 174.3 | -166.6 | 0 | 113.8 | K73 A74 I75 | K73-K77 WeakPolarHBondContact O-CB 3.33Å; K73-K77 VanDerWaalsContact O-CG 3.32Å; K73-K77 WeakPolarHBondContact O-CG 3.44Å; K73-K77 PolarHBondContact O-N 2.77Å; K73-K77 VanDerWaalsContact O-N 3.08Å; A74-K77 CarbonylContact O-C 3.59Å; A74-K77 PolarHBondContact O-N 3.35Å; A74-K77 VanDerWaalsContact O-N 3.11Å; I75-K77 VanDerWaalsContact C-N 3.29Å; I75-K77 PolarHBondContact O-N 3.39Å |
| 78 | G | 88.5 | Confident | 90.7 | Very high | 53 Ų | 53 | 62.2 Ų | 62.2 | 55% | 0.546 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.7 | 26.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | A74 I75 R76 T80 | A74-G78 PolarHBondContact O-N 2.87Å; I75-G78 PolarHBondContact O-N 3.27Å; R76-G78 PolarHBondContact O-N 3.22Å; G78-T80 PolarHBondContact O-N 3.19Å |
| 79 | A | 87.4 | Confident | 90.6 | Very high | 45 Ų | 45 | 61.6 Ų | 61.6 | 37% | 0.372 | 35% | 0.354 | S | S | . | . | trans | -61.2 | 128.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | A74 | A74-A79 HydrophobicContact CB-CB 3.88Å; A74-A79 VanDerWaalsContact O-CB 3.26Å; A74-A79 WeakPolarHBondContact O-CB 3.26Å; A74-A79 PolarHBondContact O-N 3.16Å | ||
| 80 | T | 86.9 | Confident | 90.3 | Very high | 138 Ų | 138 | 61.3 Ų | 61.3 | 85% | 0.847 | 36% | 0.356 | S | S | * | . | trans | -95.2 | 140 | 176.6 | 56.4 | 0 | 0 | 0 | 0 | 110 | G78 | G78-T80 PolarHBondContact O-N 3.19Š| ||
| 81 | G | 89.2 | Confident | 90.3 | Very high | 47 Ų | 47 | 62.7 Ų | 62.7 | 49% | 0.485 | 36% | 0.362 | S | S | . | . | S | Bend | trans | 159.4 | -152.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 82 | L | 92.5 | Very high | 90.3 | Very high | 81 Ų | 81 | 64.1 Ų | 64.1 | 42% | 0.424 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 122.9 | 179.5 | -179.9 | 68.4 | 0 | 0 | 0 | 109.9 | L49 L52 V84 H108 V110 | L49-L82 HydrophobicContact CD2-CD2 3.74Å; L52-L82 HydrophobicContact CD2-CD2 4.08Å; L82-V84 HydrophobicContact CD2-CG2 3.97Å; L82-V84 HydrophobicContact CG-CG2 4.02Å; L82-H108 WeakPolarHBondContact CA-O 2.9Å; L82-H108 HydrophobicContact CD1-CB 4.1Å; L82-V110 HydrophobicContact CD1-CG1 4.12Å; L82-V110 HydrophobicContact CD2-CG1 4.34Å; L82-V110 HydrophobicContact CG-CG1 4.42Å |
| 83 | C | 92.8 | Very high | 90.3 | Very high | 13 Ų | 13 | 67.9 Ų | 67.9 | 9% | 0.088 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 127.8 | 168.6 | -169.1 | 0 | 0 | 0 | 0 | 109.5 | H108 Y109 V110 | C83-H108 PolarHBondContact N-O 3.04Å; C83-Y109 CarbonylContact O-C 3.53Å; C83-Y109 VanDerWaalsContact O-CA 3.26Å; C83-Y109 WeakPolarHBondContact O-CA 3.42Å; C83-V110 PolarHBondContact O-N 3.43Å |
| 84 | V | 92.1 | Very high | 90.2 | Very high | 56 Ų | 56 | 65.4 Ų | 65.4 | 34% | 0.339 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 121.8 | -179.8 | 177.7 | 0 | 0 | 0 | 0 | 108.1 | L49 L82 V110 I112 | L49-V84 HydrophobicContact CD2-CG2 4.46Å; L82-V84 HydrophobicContact CD2-CG2 3.97Å; L82-V84 HydrophobicContact CG-CG2 4.02Å; V84-V110 HydrophobicContact CG2-CG1 4.16Å; V84-I112 HydrophobicContact CG1-CD1 3.09Å; V84-I112 HydrophobicContact CG1-CG1 3.69Å |
| 85 | M | 91.3 | Very high | 90.2 | Very high | 15 Ų | 15 | 65.1 Ų | 65.1 | 7% | 0.074 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 149.7 | -177.5 | -51.4 | -161 | -41.2 | 0 | 0 | 111 | Y95 I98 P99 V110 H111 I112 | M85-Y95 HydrophobicContact CE-CD2 3.54Å; M85-Y95 HydrophobicContact CE-CE2 3.88Å; M85-Y95 HydrophobicContact SD-CD2 4.14Å; M85-I98 HydrophobicContact SD-CB 3.77Å; M85-I98 HydrophobicContact SD-CG2 3.51Å; M85-I98 VanDerWaalsContact SD-CG2 3.51Å; M85-P99 HydrophobicContact CE-CG 3.51Å; M85-V110 PolarHBondContact N-O 3.27Å; M85-H111 WeakPolarHBondContact CE-CE1 3.46Å; M85-H111 WeakPolarHBondContact CE-NE2 3.46Å; M85-H111 CarbonylContact O-C 3.47Å; M85-H111 VanDerWaalsContact O-CA 3.29Å; M85-H111 WeakPolarHBondContact O-CA 3.49Å; M85-I112 PolarHBondContact O-N 3.38Å |
| 86 | A | 89.6 | Confident | 90.2 | Very high | 17 Ų | 17 | 67.6 Ų | 67.6 | 14% | 0.14 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 137.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | V89 I112 H115 | A86-V89 HydrophobicContact CB-CG2 3.67Å; A86-I112 CarbonylContact C-O 3.56Å; A86-I112 WeakPolarHBondContact CA-O 3.49Å; A86-H115 HydrophobicContact CB-CB 4.16Å |
| 87 | G | 89.2 | Confident | 90.3 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -16.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | N34 I112 | N34-G87 WeakPolarHBondContact CB-O 3.32Å; N34-G87 VanDerWaalsContact CG-O 3.26Å; N34-G87 PolarHBondContact N-O 2.96Å; G87-I112 PolarHBondContact N-O 3.11Å |
| 88 | N | 89 | Confident | 90.4 | Very high | 67 Ų | 67 | 54.6 Ų | 54.6 | 36% | 0.358 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | 23 | -175.5 | 73.7 | -41.2 | 0 | 0 | 0 | 113.5 | P113 C114 H115 | N88-P113 WeakPolarHBondContact CB-O 3.49Å; N88-C114 WeakPolarHBondContact OD1-CA 3.28Å; N88-H115 PolarHBondContact OD1-N 3.34Å |
| 89 | V | 88.7 | Confident | 90.6 | Very high | 47 Ų | 47 | 52.8 Ų | 52.8 | 29% | 0.285 | 32% | 0.323 | S | S | . | . | trans | -80.6 | 127.1 | -178.4 | 176.7 | 0 | 0 | 0 | 0 | 109.1 | N34 A86 Y95 | N34-V89 PolarHBondContact ND2-O 3.08Å; A86-V89 HydrophobicContact CB-CG2 3.67Å; V89-Y95 HydrophobicContact CB-CD1 3.97Å; V89-Y95 HydrophobicContact CB-CE1 3.62Å; V89-Y95 HydrophobicContact CG1-CD1 3.96Å; V89-Y95 HydrophobicContact CG1-CE1 4.06Å | ||
| 90 | S | 87.1 | Confident | 90.8 | Very high | 105 Ų | 105 | 53 Ų | 53 | 73% | 0.734 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -124.3 | 135.2 | 175.2 | -158.3 | 0 | 0 | 0 | 0 | 109.7 | ||
| 91 | P | 92.3 | Very high | 91.1 | Very high | 67 Ų | 67 | 48.5 Ų | 48.5 | 44% | 0.435 | 30% | 0.297 | S | S | . | . | S | Bend | cis | -73.8 | 154.4 | -0.8 | 27.5 | -34.8 | 0 | 0 | 0 | 114.4 | D93 I94 | P91-D93 PolarHBondContact O-N 2.89Å; P91-I94 VanDerWaalsContact CD-CD1 3.48Å; P91-I94 HydrophobicContact CG-CD1 3.61Å; P91-I94 HydrophobicContact CG-CG1 3.94Å; P91-I94 PolarHBondContact O-N 3.04Å |
| 92 | I | 90.2 | Very high | 91.3 | Very high | 59 Ų | 59 | 46.3 Ų | 46.3 | 30% | 0.303 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -65.2 | -29 | -177.4 | -157.9 | 165.3 | 0 | 0 | 0 | 112.6 | N34 I36 I94 Y95 C96 | N34-I92 HydrophobicContact CB-CD1 3.87Å; N34-I92 HydrophobicContact CB-CG1 4.41Å; I36-I92 HydrophobicContact CB-CD1 4.37Å; I36-I92 HydrophobicContact CD1-CD1 3.93Å; I36-I92 HydrophobicContact CD1-CG1 3.45Å; I36-I92 VanDerWaalsContact CD1-CG1 3.45Å; I36-I92 HydrophobicContact CG1-CD1 3.83Å; I36-I92 HydrophobicContact CG1-CG1 3.91Å; I36-I92 HydrophobicContact CG2-CD1 3.78Å; I36-I92 HydrophobicContact CG2-CG1 4.41Å; I92-I94 PolarHBondContact O-N 2.94Å; I92-I94 VanDerWaalsContact O-N 3.11Å; I92-Y95 HydrophobicContact CG1-CE1 4.47Å; I92-Y95 PolarHBondContact O-N 3.19Å; I92-C96 WeakPolarHBondContact O-CB 2.86Å; I92-C96 PolarHBondContact O-N 3.4Å; I92-C96 VanDerWaalsContact O-N 3.15Å |
| 93 | D | 91.1 | Very high | 91.3 | Very high | 118 Ų | 118 | 48.3 Ų | 48.3 | 63% | 0.631 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -61.5 | -21.1 | -178.5 | -55.2 | -86 | 0 | 0 | 0 | 113.4 | P91 Y95 | P91-D93 PolarHBondContact O-N 2.89Å; D93-Y95 VanDerWaalsContact C-N 3.27Å; D93-Y95 PolarHBondContact O-N 3.41Å |
| 94 | I | 90.7 | Very high | 91.3 | Very high | 79 Ų | 79 | 54.5 Ų | 54.5 | 41% | 0.405 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -66.8 | -29.8 | -177.6 | -73.5 | 171.7 | 0 | 0 | 0 | 112 | I68 P91 I92 H97 | I68-I94 HydrophobicContact CD1-CG2 3.22Å; I68-I94 WeakPolarHBondContact CD1-O 3.39Å; P91-I94 VanDerWaalsContact CD-CD1 3.48Å; P91-I94 HydrophobicContact CG-CD1 3.61Å; P91-I94 HydrophobicContact CG-CG1 3.94Å; P91-I94 PolarHBondContact O-N 3.04Å; I92-I94 PolarHBondContact O-N 2.94Å; I92-I94 VanDerWaalsContact O-N 3.11Å; I94-H97 PolarHBondContact O-CE1 3.09Å; I94-H97 VanDerWaalsContact O-CE1 3.24Å |
| 95 | Y | 91.4 | Very high | 91.3 | Very high | 8 Ų | 8 | 57.9 Ų | 57.9 | 3% | 0.031 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -137.9 | -1.4 | -171.6 | 75.4 | -78.8 | 0 | 0 | 0 | 114.9 | N34 I36 M85 V89 I92 D93 H97 I98 P99 H111 | N34-Y95 PolarHBondContact ND2-OH 3.06Å; I36-Y95 HydrophobicContact CD1-CD2 4.23Å; I36-Y95 HydrophobicContact CD1-CE1 4.28Å; I36-Y95 HydrophobicContact CD1-CE2 3.58Å; I36-Y95 HydrophobicContact CG1-CE2 4.22Å; M85-Y95 HydrophobicContact CE-CD2 3.54Å; M85-Y95 HydrophobicContact CE-CE2 3.88Å; M85-Y95 HydrophobicContact SD-CD2 4.14Å; V89-Y95 HydrophobicContact CB-CD1 3.97Å; V89-Y95 HydrophobicContact CB-CE1 3.62Å; V89-Y95 HydrophobicContact CG1-CD1 3.96Å; V89-Y95 HydrophobicContact CG1-CE1 4.06Å; I92-Y95 HydrophobicContact CG1-CE1 4.47Å; I92-Y95 PolarHBondContact O-N 3.19Å; D93-Y95 VanDerWaalsContact C-N 3.27Å; D93-Y95 PolarHBondContact O-N 3.41Å; Y95-H97 PolarHBondContact O-N 3.1Å; Y95-H97 VanDerWaalsContact O-N 3.1Å; Y95-I98 WeakPolarHBondContact O-CB 3.43Å; Y95-I98 PolarHBondContact O-N 3.25Å; Y95-P99 WeakPolarHBondContact O-CD 3.39Å; Y95-H111 AromaticContact CE2-CE1 3.87Å |
| 96 | C | 92.9 | Very high | 91.3 | Very high | 59 Ų | 59 | 60 Ų | 60 | 40% | 0.399 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -27.3 | -178.7 | 66.6 | 0 | 0 | 0 | 0 | 113.9 | I36 I92 | I36-C96 HydrophobicContact CD1-CB 3.92Å; I92-C96 WeakPolarHBondContact O-CB 2.86Å; I92-C96 PolarHBondContact O-N 3.4Å; I92-C96 VanDerWaalsContact O-N 3.15Å |
| 97 | H | 92.2 | Very high | 91.4 | Very high | 67 Ų | 67 | 60.1 Ų | 60.1 | 31% | 0.31 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -80.4 | -17.2 | 177.7 | 61.2 | -80 | 0 | 0 | 0 | 114 | Q72 I94 Y95 A100 V101 | Q72-H97 PolarHBondContact NE2-CD2 3.38Å; Q72-H97 PolarHBondContact NE2-NE2 3Å; I94-H97 PolarHBondContact O-CE1 3.09Å; I94-H97 VanDerWaalsContact O-CE1 3.24Å; Y95-H97 PolarHBondContact O-N 3.1Å; Y95-H97 VanDerWaalsContact O-N 3.1Å; H97-A100 PolarHBondContact O-N 3.34Å; H97-V101 WeakPolarHBondContact O-CG2 3.46Å; H97-V101 PolarHBondContact O-N 3.47Å |
| 98 | I | 92.7 | Very high | 91.6 | Very high | 6 Ų | 6 | 66.9 Ų | 66.9 | 3% | 0.031 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -65.5 | -47.5 | -175.4 | -64 | -169.4 | 0 | 0 | 0 | 112.3 | I68 M85 Y95 A100 V101 C102 | I68-I98 HydrophobicContact CB-CD1 4.44Å; I68-I98 HydrophobicContact CG1-CD1 3.88Å; I68-I98 HydrophobicContact CG2-CD1 4.25Å; M85-I98 HydrophobicContact SD-CB 3.77Å; M85-I98 HydrophobicContact SD-CG2 3.51Å; M85-I98 VanDerWaalsContact SD-CG2 3.51Å; Y95-I98 WeakPolarHBondContact O-CB 3.43Å; Y95-I98 PolarHBondContact O-N 3.25Å; I98-A100 VanDerWaalsContact C-N 3.29Å; I98-A100 PolarHBondContact O-N 3.32Å; I98-V101 PolarHBondContact O-N 3.46Å; I98-V101 VanDerWaalsContact O-N 3.12Å; I98-C102 PolarHBondContact O-N 3.34Å; I98-C102 PolarHBondContact O-SG 3.32Å; I98-C102 VanDerWaalsContact O-SG 3.34Å |
| 99 | P | 92.8 | Very high | 91.8 | Very high | 15 Ų | 15 | 65.8 Ų | 65.8 | 10% | 0.097 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -52.2 | -45.7 | 175.1 | -29.7 | 37.3 | 0 | 0 | 0 | 113.1 | M85 Y95 V101 C102 E103 Y109 | M85-P99 HydrophobicContact CE-CG 3.51Å; Y95-P99 WeakPolarHBondContact O-CD 3.39Å; P99-V101 PolarHBondContact O-N 3.09Å; P99-C102 WeakPolarHBondContact O-CB 3.16Å; P99-C102 PolarHBondContact O-N 2.84Å; P99-C102 VanDerWaalsContact O-N 3.14Å; P99-E103 PolarHBondContact O-N 3.35Å; P99-Y109 HydrophobicContact CB-CD2 4.34Å; P99-Y109 HydrophobicContact CB-CE1 4.45Å; P99-Y109 HydrophobicContact CB-CE2 3.84Å; P99-Y109 HydrophobicContact CG-CE2 4.27Å |
| 100 | A | 92.7 | Very high | 92.1 | Very high | 48 Ų | 48 | 64.3 Ų | 64.3 | 40% | 0.397 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.8 | -41.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | H97 I98 C102 E103 I104 | H97-A100 PolarHBondContact O-N 3.34Å; I98-A100 VanDerWaalsContact C-N 3.29Å; I98-A100 PolarHBondContact O-N 3.32Å; A100-C102 VanDerWaalsContact C-N 3.34Å; A100-E103 PolarHBondContact O-N 3.49Å; A100-I104 WeakPolarHBondContact O-CG1 3.44Å; A100-I104 PolarHBondContact O-N 3.49Å; A100-I104 VanDerWaalsContact O-N 3.15Å |
| 101 | V | 93.1 | Very high | 92.4 | Very high | 45 Ų | 45 | 59.3 Ų | 59.3 | 27% | 0.273 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -67.1 | -37.3 | 176 | 176.4 | 0 | 0 | 0 | 0 | 111.3 | I75 H97 I98 P99 K105 | I75-V101 HydrophobicContact CG2-CG1 3.84Å; H97-V101 WeakPolarHBondContact O-CG2 3.46Å; H97-V101 PolarHBondContact O-N 3.47Å; I98-V101 PolarHBondContact O-N 3.46Å; I98-V101 VanDerWaalsContact O-N 3.12Å; P99-V101 PolarHBondContact O-N 3.09Å; V101-K105 PolarHBondContact O-N 3.38Å |
| 102 | C | 93.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.2 | -43.8 | 175.4 | -71.6 | 0 | 0 | 0 | 0 | 111.4 | I98 P99 A100 K105 G106 T107 Y109 | I98-C102 PolarHBondContact O-N 3.34Å; I98-C102 PolarHBondContact O-SG 3.32Å; I98-C102 VanDerWaalsContact O-SG 3.34Å; P99-C102 WeakPolarHBondContact O-CB 3.16Å; P99-C102 PolarHBondContact O-N 2.84Å; P99-C102 VanDerWaalsContact O-N 3.14Å; A100-C102 VanDerWaalsContact C-N 3.34Å; C102-K105 CarbonylContact O-C 3.55Å; C102-K105 PolarHBondContact O-N 3.28Å; C102-G106 PolarHBondContact O-N 2.95Å; C102-T107 PolarHBondContact O-N 3.14Å; C102-Y109 HydrophobicContact CB-CD1 3.85Å; C102-Y109 HydrophobicContact CB-CG 4.38Å |
| 103 | E | 92.3 | Very high | 92.1 | Very high | 124 Ų | 124 | 54 Ų | 54 | 58% | 0.579 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -63.5 | -46.2 | 178.4 | -73.2 | 175.9 | -172.3 | 0 | 0 | 112.5 | P99 A100 K105 G106 Y109 | P99-E103 PolarHBondContact O-N 3.35Å; A100-E103 PolarHBondContact O-N 3.49Å; E103-K105 PolarHBondContact O-N 2.97Å; E103-G106 PolarHBondContact O-N 3.19Å; E103-G106 VanDerWaalsContact O-N 3.08Å; E103-Y109 HydrophobicContact CG-CE1 3.92Å; E103-Y109 PolarHBondContact OE1-OH 2.78Å |
| 104 | I | 93.4 | Very high | 91.5 | Very high | 142 Ų | 142 | 48.9 Ų | 48.9 | 73% | 0.728 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -59.2 | -33.6 | 177.7 | -67.3 | 165.1 | 0 | 0 | 0 | 111.8 | A100 | A100-I104 WeakPolarHBondContact O-CG1 3.44Å; A100-I104 PolarHBondContact O-N 3.49Å; A100-I104 VanDerWaalsContact O-N 3.15Å |
| 105 | K | 92 | Very high | 90.2 | Very high | 128 Ų | 128 | 53 Ų | 53 | 56% | 0.557 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -94.2 | -4.2 | -179.9 | -67 | -67.1 | -177.5 | -179 | 0 | 113.8 | I75 V101 C102 E103 T107 | I75-K105 HydrophobicContact CG2-CB 4.07Å; I75-K105 HydrophobicContact CG2-CG 3.89Å; V101-K105 PolarHBondContact O-N 3.38Å; C102-K105 CarbonylContact O-C 3.55Å; C102-K105 PolarHBondContact O-N 3.28Å; E103-K105 PolarHBondContact O-N 2.97Å; K105-T107 VanDerWaalsContact C-N 3.27Å; K105-T107 PolarHBondContact O-N 2.91Å |
| 106 | G | 90.8 | Very high | 88.5 | Confident | 59 Ų | 59 | 54.4 Ų | 54.4 | 61% | 0.608 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.9 | 25 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | C102 E103 | C102-G106 PolarHBondContact O-N 2.95Å; E103-G106 PolarHBondContact O-N 3.19Å; E103-G106 VanDerWaalsContact O-N 3.08Å |
| 107 | T | 91.6 | Very high | 86.8 | Confident | 20 Ų | 20 | 52.8 Ų | 52.8 | 12% | 0.123 | 29% | 0.292 | C | S | . | . | trans | -84.2 | 133.4 | 175.9 | -55.2 | 0 | 0 | 0 | 0 | 109.9 | C102 K105 | C102-T107 PolarHBondContact O-N 3.14Å; K105-T107 VanDerWaalsContact C-N 3.27Å; K105-T107 PolarHBondContact O-N 2.91Å | ||
| 108 | H | 93.6 | Very high | 84.9 | Confident | 141 Ų | 141 | 54 Ų | 54 | 65% | 0.653 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 136.5 | 179.5 | -65.2 | 67.6 | 0 | 0 | 0 | 109.9 | L82 C83 | L82-H108 WeakPolarHBondContact CA-O 2.9Å; L82-H108 HydrophobicContact CD1-CB 4.1Å; C83-H108 PolarHBondContact N-O 3.04Å |
| 109 | Y | 93.9 | Very high | 83.1 | Confident | 45 Ų | 45 | 56.6 Ų | 56.6 | 18% | 0.176 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 154.9 | 176.9 | 71.9 | -84.8 | 0 | 0 | 0 | 111.8 | S38 C83 P99 C102 E103 H111 | S38-Y109 WeakPolarHBondContact O-CE2 3.26Å; C83-Y109 CarbonylContact O-C 3.53Å; C83-Y109 VanDerWaalsContact O-CA 3.26Å; C83-Y109 WeakPolarHBondContact O-CA 3.42Å; P99-Y109 HydrophobicContact CB-CD2 4.34Å; P99-Y109 HydrophobicContact CB-CE1 4.45Å; P99-Y109 HydrophobicContact CB-CE2 3.84Å; P99-Y109 HydrophobicContact CG-CE2 4.27Å; C102-Y109 HydrophobicContact CB-CD1 3.85Å; C102-Y109 HydrophobicContact CB-CG 4.38Å; E103-Y109 HydrophobicContact CG-CE1 3.92Å; E103-Y109 PolarHBondContact OE1-OH 2.78Å; Y109-H111 AromaticContact CD2-CD2 3.96Å; Y109-H111 AromaticContact CD2-NE2 3.91Å; Y109-H111 AromaticContact CE2-NE2 3.87Å |
| 110 | V | 93.9 | Very high | 81 | Confident | 16 Ų | 16 | 67.5 Ų | 67.5 | 10% | 0.097 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 140 | 175.8 | 67.6 | 0 | 0 | 0 | 0 | 110.6 | A41 L49 L82 C83 V84 M85 | A41-V110 HydrophobicContact CB-CG2 3.61Å; L49-V110 HydrophobicContact CD1-CG1 3.67Å; L49-V110 HydrophobicContact CD1-CG2 4.06Å; L49-V110 HydrophobicContact CD2-CG1 4.1Å; L82-V110 HydrophobicContact CD1-CG1 4.12Å; L82-V110 HydrophobicContact CD2-CG1 4.34Å; L82-V110 HydrophobicContact CG-CG1 4.42Å; C83-V110 PolarHBondContact O-N 3.43Å; V84-V110 HydrophobicContact CG2-CG1 4.16Å; M85-V110 PolarHBondContact N-O 3.27Å |
| 111 | H | 93.2 | Very high | 79.1 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 141.3 | 173.2 | -66.9 | -119.5 | 0 | 0 | 0 | 110.3 | A37 P39 L40 A41 M85 Y95 Y109 | A37-H111 VanDerWaalsContact CA-ND1 3.33Å; A37-H111 WeakPolarHBondContact CA-ND1 3.46Å; A37-H111 HydrophobicContact CB-CB 3.85Å; A37-H111 WeakPolarHBondContact CB-ND1 3.5Å; P39-H111 PolarHBondContact O-N 2.8Å; L40-H111 HydrophobicContact CD1-CB 4.1Å; A41-H111 PolarHBondContact N-O 3.5Å; M85-H111 WeakPolarHBondContact CE-CE1 3.46Å; M85-H111 WeakPolarHBondContact CE-NE2 3.46Å; M85-H111 CarbonylContact O-C 3.47Å; M85-H111 VanDerWaalsContact O-CA 3.29Å; M85-H111 WeakPolarHBondContact O-CA 3.49Å; Y95-H111 AromaticContact CE2-CE1 3.87Å; Y109-H111 AromaticContact CD2-CD2 3.96Å; Y109-H111 AromaticContact CD2-NE2 3.91Å; Y109-H111 AromaticContact CE2-NE2 3.87Å |
| 112 | I | 90.5 | Very high | 77 | Confident | 10 Ų | 10 | 70.1 Ų | 70.1 | 5% | 0.051 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 138.5 | 172.3 | -40.2 | 169.7 | 0 | 0 | 0 | 108.1 | A46 L49 Y50 V84 M85 A86 G87 C114 | A46-I112 HydrophobicContact CB-CG2 4Å; L49-I112 HydrophobicContact CB-CD1 3.9Å; L49-I112 HydrophobicContact CB-CG1 4.39Å; L49-I112 HydrophobicContact CD1-CD1 4.44Å; L49-I112 HydrophobicContact CD1-CG1 4.05Å; Y50-I112 HydrophobicContact CD1-CD1 4.36Å; Y50-I112 HydrophobicContact CE1-CD1 4.16Å; Y50-I112 HydrophobicContact CE1-CG2 3.8Å; Y50-I112 HydrophobicContact CE2-CG2 3.67Å; Y50-I112 WeakPolarHBondContact OH-CG2 3.48Å; V84-I112 HydrophobicContact CG1-CD1 3.09Å; V84-I112 HydrophobicContact CG1-CG1 3.69Å; M85-I112 PolarHBondContact O-N 3.38Å; A86-I112 CarbonylContact C-O 3.56Å; A86-I112 WeakPolarHBondContact CA-O 3.49Å; G87-I112 PolarHBondContact N-O 3.11Å; I112-C114 VanDerWaalsContact C-N 3.28Å; I112-C114 PolarHBondContact O-N 2.89Å; I112-C114 VanDerWaalsContact O-N 3.16Å |
| 113 | P | 87.1 | Confident | 74.9 | Confident | 3 Ų | 3 | 78.5 Ų | 78.5 | 2% | 0.019 | 43% | 0.426 | C | S | . | . | S | Bend | trans | -60.1 | -30.7 | -170.6 | 18.9 | -35 | 0 | 0 | 0 | 115.5 | L29 V33 L40 A41 N88 | L29-P113 HydrophobicContact CB-CB 4Å; L29-P113 HydrophobicContact CB-CG 4.34Å; L29-P113 WeakPolarHBondContact O-CB 3.32Å; V33-P113 VanDerWaalsContact CG2-CA 3.43Å; V33-P113 HydrophobicContact CG2-CB 3.66Å; V33-P113 WeakPolarHBondContact CG2-O 3.46Å; L40-P113 HydrophobicContact CD1-CB 4.32Å; A41-P113 WeakPolarHBondContact O-CD 3.17Å; N88-P113 WeakPolarHBondContact CB-O 3.49Å |
| 114 | C | 77.3 | Confident | 74 | Confident | 11 Ų | 11 | 76.3 Ų | 76.3 | 7% | 0.074 | 42% | 0.418 | C | S | . | . | trans | -138 | 155.9 | 174.2 | 76.7 | 0 | 0 | 0 | 0 | 112.8 | L29 Y50 N88 I112 G116 | L29-C114 HydrophobicContact CD2-CB 4.31Å; Y50-C114 WeakPolarHBondContact CE1-O 3.44Å; Y50-C114 PolarHBondContact OH-O 2.91Å; Y50-C114 PolarHBondContact OH-SG 3.09Å; Y50-C114 VanDerWaalsContact OH-SG 3.34Å; N88-C114 WeakPolarHBondContact OD1-CA 3.28Å; I112-C114 VanDerWaalsContact C-N 3.28Å; I112-C114 PolarHBondContact O-N 2.89Å; I112-C114 VanDerWaalsContact O-N 3.16Å; C114-G116 PolarHBondContact O-N 3.21Å; C114-G116 PolarHBondContact SG-O 3.44Å | ||
| 115 | H | 63.7 | Low | 73 | Confident | 165 Ų | 165 | 72.8 Ų | 72.8 | 76% | 0.764 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -64.7 | -21.2 | 175.8 | -176.7 | 36.9 | 0 | 0 | 0 | 113.2 | A86 N88 | A86-H115 HydrophobicContact CB-CB 4.16Å; N88-H115 PolarHBondContact OD1-N 3.34Å |
| 116 | G | 56.3 | Low | 72 | Confident | 38 Ų | 38 | 69.7 Ų | 69.7 | 39% | 0.392 | 39% | 0.393 | S | S | . | . | trans | -138.2 | 106.3 | -174 | 0 | 0 | 0 | 0 | 0 | 113.5 | P21 C114 | P21-G116 WeakPolarHBondContact CB-O 3.23Å; C114-G116 PolarHBondContact O-N 3.21Å; C114-G116 PolarHBondContact SG-O 3.44Å | ||
| 117 | A | 56.2 | Low | 70.9 | Confident | 25 Ų | 25 | 70.4 Ų | 70.4 | 21% | 0.207 | 38% | 0.38 | C | S | . | . | trans | -113.7 | 157.5 | 164.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y50 T119 | Y50-A117 HydrophobicContact CD1-CB 3.99Å; Y50-A117 HydrophobicContact CD2-CB 3.33Å; Y50-A117 HydrophobicContact CE1-CB 3.73Å; Y50-A117 HydrophobicContact CE2-CB 3.04Å; Y50-A117 HydrophobicContact CG-CB 3.79Å; A117-T119 PolarHBondContact O-N 2.66Å | ||
| 118 | P | 53.6 | Low | 69.6 | Low | 93 Ų | 93 | 73.5 Ų | 73.5 | 60% | 0.604 | 40% | 0.396 | S | S | * | . | trans | -81.5 | 78.8 | -156.7 | 33.2 | -35 | 0 | 0 | 0 | 111.3 | R120 | P118-R120 PolarHBondContact O-N 3.07Š| ||
| 119 | T | 54.9 | Low | 68 | Low | 60 Ų | 60 | 69 Ų | 69 | 37% | 0.368 | 38% | 0.379 | S | S | . | . | trans | -85.3 | 95 | 151.5 | 57.2 | 0 | 0 | 0 | 0 | 106.5 | K51 A117 G121 | K51-T119 HydrophobicContact CG-CG2 3.98Å; A117-T119 PolarHBondContact O-N 2.66Å; T119-G121 PolarHBondContact O-N 2.87Å | ||
| 120 | R | 48.8 | Very low | 66.1 | Low | 245 Ų | 245 | 70.7 Ų | 70.7 | 93% | 0.925 | 39% | 0.394 | S | S | * | . | trans | -59.4 | 103.2 | 168.8 | -77.7 | -164.7 | 174.3 | -168.6 | 0.8 | 108.2 | P118 | P118-R120 PolarHBondContact O-N 3.07Š| ||
| 121 | G | 51.1 | Low | 64 | Low | 39 Ų | 39 | 74.9 Ų | 74.9 | 40% | 0.402 | 42% | 0.417 | S | S | . | . | S | Bend | trans | 163.6 | 147.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112 | T119 | T119-G121 PolarHBondContact O-N 2.87Š|
| 122 | P | 49.3 | Very low | 61.6 | Low | 108 Ų | 108 | 81.2 Ų | 81.2 | 70% | 0.701 | 45% | 0.451 | S | S | * | . | trans | -65 | 149.1 | 171.3 | 15 | -8.3 | 0 | 0 | 0 | 110.4 | R54 | R54-P122 PolarHBondContact NE-O 2.82Å; R54-P122 VanDerWaalsContact NE-O 3.14Å; R54-P122 PolarHBondContact NH2-O 2.81Å | ||
| 123 | I | 50 | Low | 58.9 | Low | 177 Ų | 177 | 87.6 Ų | 87.6 | 91% | 0.908 | 49% | 0.488 | S | S | * | . | trans | -67.6 | 0 | 167.5 | -46.6 | 172 | 0 | 0 | 0 | 107.9 |
Retrieved 123 of 123 residues in 54.2 ms
(Link to these results)