| 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 | 39.6 | Very low | 43.9 | Very low | 246 Ų | 246 | 169.9 Ų | 169.9 | 100% | 1.212 | 87% | 0.873 | S | S | * | * | 0 | 139.2 | 0 | -70.9 | -173.3 | -176.9 | 0 | 0 | 108.5 | |||||
| 2 | S | 43.1 | Very low | 44.6 | Very low | 108 Ų | 108 | 162.3 Ų | 162.3 | 76% | 0.755 | 86% | 0.855 | S | S | * | * | trans | -47.6 | 158.4 | 178.3 | 54.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 3 | T | 39.5 | Very low | 45 | Very low | 132 Ų | 132 | 155.7 Ų | 155.7 | 81% | 0.81 | 83% | 0.825 | S | S | * | * | -167.5 | 138.4 | 52.5 | 42.3 | 0 | 0 | 0 | 0 | 107.2 | |||||
| 4 | G | 40.6 | Very low | 45.9 | Very low | 73 Ų | 73 | 152.3 Ų | 152.3 | 75% | 0.753 | 82% | 0.816 | S | S | * | * | 109.6 | 101.8 | 54 | 0 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 5 | L | 41.8 | Very low | 46.3 | Very low | 167 Ų | 167 | 152.4 Ų | 152.4 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | trans | -59.8 | 137.5 | -169.6 | -82 | 74.2 | 0 | 0 | 0 | 114 | Y7 | L5-Y7 PolarHBondContact O-N 3.16Š| ||
| 6 | R | 42.2 | Very low | 46.7 | Very low | 243 Ų | 243 | 148.3 Ų | 148.3 | 92% | 0.917 | 79% | 0.788 | S | S | * | * | trans | -72.2 | 102.3 | 171 | -168.5 | 176.8 | -172.4 | 171.2 | 2.6 | 109.9 | K8 | R6-K8 PolarHBondContact O-N 3.39Š| ||
| 7 | Y | 39.4 | Very low | 47 | Very low | 227 Ų | 227 | 148.3 Ų | 148.3 | 89% | 0.89 | 78% | 0.78 | S | S | * | * | trans | -66.8 | 117.3 | 174.6 | -114.8 | -97.6 | 0 | 0 | 0 | 110.4 | L5 | L5-Y7 PolarHBondContact O-N 3.16Š| ||
| 8 | K | 43.8 | Very low | 47.3 | Very low | 186 Ų | 186 | 147.9 Ų | 147.9 | 81% | 0.809 | 77% | 0.773 | S | S | * | * | trans | -87.1 | 119.3 | 164.4 | -79 | -169.5 | 166.6 | -175.1 | 0 | 108.4 | R6 K10 | R6-K8 PolarHBondContact O-N 3.39Å; K8-K10 PolarHBondContact O-N 3.31Å | ||
| 9 | S | 47.8 | Very low | 47.6 | Very low | 119 Ų | 119 | 145.1 Ų | 145.1 | 83% | 0.832 | 76% | 0.759 | S | S | * | * | trans | -70.6 | 106.9 | 168.9 | 42.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 10 | K | 49.8 | Very low | 47.9 | Very low | 197 Ų | 197 | 143.4 Ų | 143.4 | 86% | 0.857 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 127.3 | 164.8 | -69.4 | -173.4 | 178 | -177.3 | 0 | 107.9 | K8 A12 | K8-K10 PolarHBondContact O-N 3.31Å; K10-A12 PolarHBondContact O-N 3.06Å |
| 11 | L | 55.4 | Low | 48.2 | Very low | 171 Ų | 171 | 142.5 Ų | 142.5 | 90% | 0.895 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 119.4 | 169.5 | -78.7 | 150.6 | 0 | 0 | 0 | 107.9 | T13 | L11-T13 PolarHBondContact O-N 3.28Š|
| 12 | A | 51.8 | Low | 49 | Very low | 79 Ų | 79 | 137.7 Ų | 137.7 | 65% | 0.653 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 128 | -179 | 0 | 0 | 0 | 0 | 0 | 110.7 | K10 | K10-A12 PolarHBondContact O-N 3.06Š|
| 13 | T | 50.6 | Low | 49.4 | Very low | 76 Ų | 76 | 140.8 Ų | 140.8 | 47% | 0.466 | 72% | 0.72 | S | S | . | * | P | Polyproline II helix | trans | -78.6 | 155.7 | 173.5 | 47 | 0 | 0 | 0 | 0 | 109.7 | L11 E15 D16 | L11-T13 PolarHBondContact O-N 3.28Å; T13-E15 PolarHBondContact O-N 3.24Å; T13-D16 PolarHBondContact O-N 3.49Å; T13-D16 PolarHBondContact OG1-OD2 3.13Å |
| 14 | P | 57 | Low | 50.4 | Low | 108 Ų | 108 | 141.8 Ų | 141.8 | 70% | 0.701 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | -15.6 | -179.3 | 20.1 | -30.5 | 0 | 0 | 0 | 114.6 | ||
| 15 | E | 52.6 | Low | 51.3 | Low | 154 Ų | 154 | 144.5 Ų | 144.5 | 72% | 0.72 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | -35.9 | 173.4 | -59.8 | -94.8 | 140.4 | 0 | 0 | 111.8 | T13 K17 Q18 | T13-E15 PolarHBondContact O-N 3.24Å; E15-K17 PolarHBondContact O-N 3.15Å; E15-Q18 PolarHBondContact O-N 3.36Å |
| 16 | D | 51.4 | Low | 52.6 | Low | 87 Ų | 87 | 138.6 Ų | 138.6 | 47% | 0.465 | 69% | 0.691 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.7 | -16.7 | -178.5 | -68.7 | -32.9 | 0 | 0 | 0 | 112.9 | T13 Q18 I20 | T13-D16 PolarHBondContact O-N 3.49Å; T13-D16 PolarHBondContact OG1-OD2 3.13Å; D16-Q18 VanDerWaalsContact C-N 3.3Å; D16-Q18 PolarHBondContact O-N 3.09Å; D16-I20 WeakPolarHBondContact O-CG1 3.4Å |
| 17 | K | 52.7 | Low | 53.8 | Low | 148 Ų | 148 | 135.9 Ų | 135.9 | 64% | 0.643 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -71.6 | -23.9 | 178.8 | -71.4 | -175.2 | 176.7 | -177.7 | 0 | 113 | E15 | E15-K17 PolarHBondContact O-N 3.15Å |
| 18 | Q | 52.3 | Low | 55.6 | Low | 142 Ų | 142 | 127.5 Ų | 127.5 | 66% | 0.664 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -77 | -23.2 | -177.5 | -70.9 | -171.7 | 3.1 | 0 | 0 | 113.7 | E15 D16 | E15-Q18 PolarHBondContact O-N 3.36Å; D16-Q18 VanDerWaalsContact C-N 3.3Å; D16-Q18 PolarHBondContact O-N 3.09Å |
| 19 | D | 52 | Low | 57 | Low | 93 Ų | 93 | 119.8 Ų | 119.8 | 50% | 0.497 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -91.3 | -21.4 | -179.2 | -77.3 | -29.9 | 0 | 0 | 0 | 113.2 | D21 K22 Q23 | D19-D21 VanDerWaalsContact C-N 3.3Å; D19-D21 PolarHBondContact O-N 3.34Å; D19-K22 PolarHBondContact O-N 3.11Å; D19-K22 IonicContact OD1-NZ 2.98Å; D19-K22 PolarHBondContact OD1-NZ 3.32Å; D19-Q23 PolarHBondContact O-N 3.22Å |
| 20 | I | 53.7 | Low | 58.5 | Low | 112 Ų | 112 | 117.7 Ų | 117.7 | 57% | 0.574 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -65.8 | -37 | 172.7 | -56.2 | 168.6 | 0 | 0 | 0 | 110.5 | D16 K22 Q23 Y24 | D16-I20 WeakPolarHBondContact O-CG1 3.4Å; I20-K22 VanDerWaalsContact C-N 3.26Å; I20-K22 PolarHBondContact O-N 3.39Å; I20-Q23 PolarHBondContact O-N 3.23Å; I20-Y24 PolarHBondContact O-N 3.06Å |
| 21 | D | 54.8 | Low | 60.1 | Low | 124 Ų | 124 | 112.5 Ų | 112.5 | 66% | 0.663 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -68.5 | -22.3 | 176.7 | -74.6 | -19.2 | 0 | 0 | 0 | 113.4 | D19 | D19-D21 VanDerWaalsContact C-N 3.3Å; D19-D21 PolarHBondContact O-N 3.34Å |
| 22 | K | 56 | Low | 61.4 | Low | 145 Ų | 145 | 109.3 Ų | 109.3 | 63% | 0.63 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -80.2 | -25.2 | 174.2 | -69 | 178.7 | -165.8 | 150.2 | 0 | 112.5 | D19 I20 | D19-K22 PolarHBondContact O-N 3.11Å; D19-K22 IonicContact OD1-NZ 2.98Å; D19-K22 PolarHBondContact OD1-NZ 3.32Å; I20-K22 VanDerWaalsContact C-N 3.26Å; I20-K22 PolarHBondContact O-N 3.39Å |
| 23 | Q | 52.8 | Low | 62.7 | Low | 173 Ų | 173 | 109.8 Ų | 109.8 | 81% | 0.808 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -94 | -14.9 | -174.7 | -150.7 | 165.3 | 12.7 | 0 | 0 | 113.3 | D19 I20 V25 | D19-Q23 PolarHBondContact O-N 3.22Å; I20-Q23 PolarHBondContact O-N 3.23Å; Q23-V25 PolarHBondContact O-N 3.31Å |
| 24 | Y | 59.6 | Low | 64.1 | Low | 153 Ų | 153 | 110.4 Ų | 110.4 | 60% | 0.6 | 58% | 0.575 | S | S | * | * | trans | -92.7 | 75.3 | 173.7 | -165.7 | -114.4 | 0 | 0 | 0 | 111.2 | I20 A28 T29 | I20-Y24 PolarHBondContact O-N 3.06Å; Y24-A28 HydrophobicContact CD1-CB 4.23Å; Y24-A28 HydrophobicContact CE1-CB 3.22Å; Y24-A28 WeakPolarHBondContact OH-CB 3.48Å; Y24-T29 HydrophobicContact CD1-CG2 4.36Å; Y24-T29 WeakPolarHBondContact O-CG2 3.37Å | ||
| 25 | V | 60.8 | Low | 65.5 | Low | 130 Ų | 130 | 111.4 Ų | 111.4 | 79% | 0.788 | 57% | 0.569 | S | S | * | * | trans | -96.7 | 122.5 | 178.2 | -90.5 | 0 | 0 | 0 | 0 | 111.1 | Q23 | Q23-V25 PolarHBondContact O-N 3.31Š| ||
| 26 | G | 68.1 | Low | 67 | Low | 43 Ų | 43 | 111.9 Ų | 111.9 | 44% | 0.443 | 57% | 0.565 | S | S | . | * | S | Bend | trans | 162.2 | -172 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | A28 T29 | G26-A28 PolarHBondContact O-N 3.15Å; G26-T29 PolarHBondContact O-N 3.18Å; G26-T29 PolarHBondContact O-OG1 3.17Å |
| 27 | F | 66.5 | Low | 68.5 | Low | 186 Ų | 186 | 115.5 Ų | 115.5 | 82% | 0.816 | 58% | 0.576 | S | S | * | * | G | 310 helix | trans | -52 | -28.7 | -178.9 | -73.5 | -82 | 0 | 0 | 0 | 114.1 | T29 L30 | F27-T29 PolarHBondContact O-N 2.87Å; F27-L30 HydrophobicContact CB-CD1 4.18Å; F27-L30 HydrophobicContact CD1-CD1 3.48Å; F27-L30 VanDerWaalsContact CD1-CD1 3.48Å; F27-L30 HydrophobicContact CE1-CD1 4.3Å; F27-L30 HydrophobicContact CG-CD1 4.26Å; F27-L30 VanDerWaalsContact O-CB 3.29Å; F27-L30 WeakPolarHBondContact O-CB 3.47Å; F27-L30 WeakPolarHBondContact O-CG 3.42Å; F27-L30 PolarHBondContact O-N 3.07Å; F27-L30 VanDerWaalsContact O-N 3.11Å |
| 28 | A | 77.1 | Confident | 69.9 | Low | 52 Ų | 52 | 111 Ų | 111 | 43% | 0.43 | 56% | 0.563 | S | S | . | * | G | 310 helix | trans | -69.2 | -15.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114 | Y24 G26 | Y24-A28 HydrophobicContact CD1-CB 4.23Å; Y24-A28 HydrophobicContact CE1-CB 3.22Å; Y24-A28 WeakPolarHBondContact OH-CB 3.48Å; G26-A28 PolarHBondContact O-N 3.15Å |
| 29 | T | 74.8 | Confident | 71.2 | Confident | 23 Ų | 23 | 105.9 Ų | 105.9 | 14% | 0.141 | 54% | 0.542 | C | S | . | . | G | 310 helix | trans | -90.4 | -8.7 | 172.6 | 63.2 | 0 | 0 | 0 | 0 | 113.7 | Y24 G26 F27 N32 Q33 | Y24-T29 HydrophobicContact CD1-CG2 4.36Å; Y24-T29 WeakPolarHBondContact O-CG2 3.37Å; G26-T29 PolarHBondContact O-N 3.18Å; G26-T29 PolarHBondContact O-OG1 3.17Å; F27-T29 PolarHBondContact O-N 2.87Å; T29-N32 WeakPolarHBondContact O-CB 3.37Å; T29-N32 PolarHBondContact O-N 3.45Å; T29-N32 VanDerWaalsContact O-N 3.08Å; T29-Q33 WeakPolarHBondContact O-CG 3.5Å; T29-Q33 PolarHBondContact O-N 3.04Å; T29-Q33 PolarHBondContact OG1-NE2 3.5Å |
| 30 | L | 79.3 | Confident | 72.5 | Confident | 76 Ų | 76 | 109 Ų | 109 | 40% | 0.398 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -57 | -42.3 | -177.2 | -70.3 | 172.8 | 0 | 0 | 0 | 113.5 | F27 N32 Q33 V34 | F27-L30 HydrophobicContact CB-CD1 4.18Å; F27-L30 HydrophobicContact CD1-CD1 3.48Å; F27-L30 VanDerWaalsContact CD1-CD1 3.48Å; F27-L30 HydrophobicContact CE1-CD1 4.3Å; F27-L30 HydrophobicContact CG-CD1 4.26Å; F27-L30 VanDerWaalsContact O-CB 3.29Å; F27-L30 WeakPolarHBondContact O-CB 3.47Å; F27-L30 WeakPolarHBondContact O-CG 3.42Å; F27-L30 PolarHBondContact O-N 3.07Å; F27-L30 VanDerWaalsContact O-N 3.11Å; L30-N32 VanDerWaalsContact C-N 3.28Å; L30-N32 PolarHBondContact O-N 3.46Å; L30-Q33 PolarHBondContact O-N 3.5Å; L30-Q33 VanDerWaalsContact O-N 3.16Å; L30-V34 WeakPolarHBondContact O-CG2 3.4Å; L30-V34 PolarHBondContact O-N 3.49Å |
| 31 | P | 82.5 | Confident | 73.9 | Confident | 87 Ų | 87 | 111.7 Ų | 111.7 | 57% | 0.565 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -57.4 | -42.4 | 175.4 | -25.5 | 36 | 0 | 0 | 0 | 112.4 | V34 H35 | P31-V34 PolarHBondContact O-N 3.05Å; P31-H35 WeakPolarHBondContact O-CB 3.41Å; P31-H35 PolarHBondContact O-N 3.05Å |
| 32 | N | 82.3 | Confident | 75 | Confident | 105 Ų | 105 | 106.5 Ų | 106.5 | 56% | 0.561 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -68.8 | -36.8 | 177.8 | -64.9 | -17.3 | 0 | 0 | 0 | 111.9 | T29 L30 R36 | T29-N32 WeakPolarHBondContact O-CB 3.37Å; T29-N32 PolarHBondContact O-N 3.45Å; T29-N32 VanDerWaalsContact O-N 3.08Å; L30-N32 VanDerWaalsContact C-N 3.28Å; L30-N32 PolarHBondContact O-N 3.46Å; N32-R36 VanDerWaalsContact O-CB 3.28Å; N32-R36 WeakPolarHBondContact O-CB 3.21Å; N32-R36 PolarHBondContact O-N 3.43Å |
| 33 | Q | 79 | Confident | 76.2 | Confident | 88 Ų | 88 | 105.4 Ų | 105.4 | 41% | 0.411 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.6 | -44.4 | 175.7 | -68.5 | -178.6 | 32.7 | 0 | 0 | 111.9 | T29 L30 K37 | T29-Q33 WeakPolarHBondContact O-CG 3.5Å; T29-Q33 PolarHBondContact O-N 3.04Å; T29-Q33 PolarHBondContact OG1-NE2 3.5Å; L30-Q33 PolarHBondContact O-N 3.5Å; L30-Q33 VanDerWaalsContact O-N 3.16Å; Q33-K37 VanDerWaalsContact O-CB 3.24Å; Q33-K37 WeakPolarHBondContact O-CB 3.15Å; Q33-K37 PolarHBondContact O-N 3.42Å |
| 34 | V | 81.9 | Confident | 77.4 | Confident | 90 Ų | 90 | 102.7 Ų | 102.7 | 55% | 0.545 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.6 | -46.4 | 176.9 | 173.3 | 0 | 0 | 0 | 0 | 110.1 | L30 P31 R36 K37 S38 | L30-V34 WeakPolarHBondContact O-CG2 3.4Å; L30-V34 PolarHBondContact O-N 3.49Å; P31-V34 PolarHBondContact O-N 3.05Å; V34-R36 PolarHBondContact O-N 3.06Å; V34-K37 PolarHBondContact O-N 3.07Å; V34-S38 WeakPolarHBondContact O-CB 3.42Å; V34-S38 PolarHBondContact O-N 3.4Å; V34-S38 PolarHBondContact O-OG 3.25Å; V34-S38 VanDerWaalsContact O-OG 3.08Å |
| 35 | H | 85.2 | Confident | 78 | Confident | 128 Ų | 128 | 100.8 Ų | 100.8 | 59% | 0.593 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -56 | -53 | 175.7 | 177.8 | 70.6 | 0 | 0 | 0 | 111.5 | P31 K37 S38 V39 | P31-H35 WeakPolarHBondContact O-CB 3.41Å; P31-H35 PolarHBondContact O-N 3.05Å; H35-K37 VanDerWaalsContact C-N 3.3Å; H35-K37 PolarHBondContact O-N 3.07Å; H35-S38 PolarHBondContact O-N 3.08Å; H35-V39 WeakPolarHBondContact O-CB 3.29Å; H35-V39 VanDerWaalsContact O-CG2 3.27Å; H35-V39 WeakPolarHBondContact O-CG2 3.29Å; H35-V39 PolarHBondContact O-N 3.36Å |
| 36 | R | 83.8 | Confident | 78.9 | Confident | 165 Ų | 165 | 101.6 Ų | 101.6 | 62% | 0.623 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.7 | -36.6 | 179.1 | -173.9 | 171.8 | 63.2 | -137.4 | 0.9 | 112.6 | N32 V34 K40 | N32-R36 VanDerWaalsContact O-CB 3.28Å; N32-R36 WeakPolarHBondContact O-CB 3.21Å; N32-R36 PolarHBondContact O-N 3.43Å; V34-R36 PolarHBondContact O-N 3.06Å; R36-K40 VanDerWaalsContact O-CB 3.28Å; R36-K40 WeakPolarHBondContact O-CB 2.87Å; R36-K40 PolarHBondContact O-N 3.03Å |
| 37 | K | 84.3 | Confident | 79.3 | Confident | 162 Ų | 162 | 104.3 Ų | 104.3 | 70% | 0.704 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -69 | -41.9 | 177 | -171.8 | 177.1 | -179 | -178.9 | 0 | 111.8 | Q33 V34 H35 K40 K41 | Q33-K37 VanDerWaalsContact O-CB 3.24Å; Q33-K37 WeakPolarHBondContact O-CB 3.15Å; Q33-K37 PolarHBondContact O-N 3.42Å; V34-K37 PolarHBondContact O-N 3.07Å; H35-K37 VanDerWaalsContact C-N 3.3Å; H35-K37 PolarHBondContact O-N 3.07Å; K37-K40 PolarHBondContact O-N 3.33Å; K37-K41 VanDerWaalsContact O-CB 3.31Å; K37-K41 WeakPolarHBondContact O-CB 3.42Å; K37-K41 PolarHBondContact O-N 3.08Å |
| 38 | S | 80.7 | Confident | 80.1 | Confident | 54 Ų | 54 | 103.5 Ų | 103.5 | 38% | 0.378 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.3 | -44.5 | 176.9 | -62.9 | 0 | 0 | 0 | 0 | 111.7 | V34 H35 K41 G42 | V34-S38 WeakPolarHBondContact O-CB 3.42Å; V34-S38 PolarHBondContact O-N 3.4Å; V34-S38 PolarHBondContact O-OG 3.25Å; V34-S38 VanDerWaalsContact O-OG 3.08Å; H35-S38 PolarHBondContact O-N 3.08Å; S38-K41 PolarHBondContact O-N 2.96Å; S38-G42 PolarHBondContact O-N 3.11Å |
| 39 | V | 81.1 | Confident | 80.3 | Confident | 34 Ų | 34 | 103.8 Ų | 103.8 | 21% | 0.206 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -57.5 | -53.3 | 173.1 | 170.1 | 0 | 0 | 0 | 0 | 109.3 | H35 K41 G42 V100 | H35-V39 WeakPolarHBondContact O-CB 3.29Å; H35-V39 VanDerWaalsContact O-CG2 3.27Å; H35-V39 WeakPolarHBondContact O-CG2 3.29Å; H35-V39 PolarHBondContact O-N 3.36Å; V39-K41 PolarHBondContact O-N 3.46Å; V39-K41 VanDerWaalsContact O-N 3.17Å; V39-G42 PolarHBondContact O-N 3.39Å; V39-V100 HydrophobicContact CB-CG2 4.19Å; V39-V100 HydrophobicContact CG1-CG2 3.38Å; V39-V100 WeakPolarHBondContact O-CA 3.34Å; V39-V100 WeakPolarHBondContact O-CB 3.24Å; V39-V100 WeakPolarHBondContact O-CG1 3.32Å; V39-V100 VanDerWaalsContact O-CG2 3.31Å; V39-V100 WeakPolarHBondContact O-CG2 3.13Å |
| 40 | K | 79 | Confident | 80.7 | Confident | 160 Ų | 160 | 106.4 Ų | 106.4 | 70% | 0.696 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -59.2 | -31.8 | 178.7 | -171.2 | 175.5 | -179.1 | 178.8 | 0 | 113.8 | R36 K37 G99 | R36-K40 VanDerWaalsContact O-CB 3.28Å; R36-K40 WeakPolarHBondContact O-CB 2.87Å; R36-K40 PolarHBondContact O-N 3.03Å; K37-K40 PolarHBondContact O-N 3.33Å; K40-G99 WeakPolarHBondContact CA-O 3.24Å |
| 41 | K | 82.6 | Confident | 81 | Confident | 168 Ų | 168 | 105 Ų | 105 | 73% | 0.73 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -72.8 | -30 | -178.3 | -178.3 | 178.3 | 175.8 | -169.2 | 0 | 113.3 | K37 S38 V39 K101 | K37-K41 VanDerWaalsContact O-CB 3.31Å; K37-K41 WeakPolarHBondContact O-CB 3.42Å; K37-K41 PolarHBondContact O-N 3.08Å; S38-K41 PolarHBondContact O-N 2.96Å; V39-K41 PolarHBondContact O-N 3.46Å; V39-K41 VanDerWaalsContact O-N 3.17Å; K41-K101 CarbonylContact C-O 3.24Å; K41-K101 VanDerWaalsContact C-O 3.24Å |
| 42 | G | 77.9 | Confident | 81 | Confident | 14 Ų | 14 | 108.2 Ų | 108.2 | 14% | 0.144 | 56% | 0.557 | C | S | . | * | trans | 101.1 | 165.4 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | S38 V39 K101 | S38-G42 PolarHBondContact O-N 3.11Å; V39-G42 PolarHBondContact O-N 3.39Å; G42-K101 WeakPolarHBondContact CA-O 3.34Å; G42-K101 PolarHBondContact N-O 3.4Å | ||
| 43 | F | 81.9 | Confident | 81 | Confident | 123 Ų | 123 | 109 Ų | 109 | 54% | 0.539 | 57% | 0.571 | S | S | . | * | trans | -129.9 | 108.2 | 169.8 | -59.1 | -81.5 | 0 | 0 | 0 | 112.1 | F45 V100 L102 | F43-F45 PolarHBondContact O-N 3.43Å; F43-V100 HydrophobicContact CD2-CG1 3.88Å; F43-V100 HydrophobicContact CE2-CG1 4.24Å; F43-L102 WeakPolarHBondContact O-CD1 3.29Å; F43-L102 WeakPolarHBondContact O-CD2 3.29Å; F43-L102 WeakPolarHBondContact O-CG 3.34Å | ||
| 44 | D | 76.3 | Confident | 81 | Confident | 115 Ų | 115 | 108.5 Ų | 108.5 | 62% | 0.615 | 59% | 0.59 | S | S | * | * | trans | -64.9 | 121.1 | 176.7 | -61.9 | -47 | 0 | 0 | 0 | 109.8 | L102 | D44-L102 VanDerWaalsContact CA-CD2 3.49Å; D44-L102 HydrophobicContact CB-CD2 4.33Å; D44-L102 WeakPolarHBondContact OD1-CD2 3.47Å | ||
| 45 | F | 73.4 | Confident | 81.1 | Confident | 113 Ų | 113 | 109.9 Ų | 109.9 | 50% | 0.496 | 59% | 0.593 | S | S | . | * | trans | -124.6 | 138.4 | 175.1 | 78.1 | -91.6 | 0 | 0 | 0 | 109.5 | F43 F65 L102 | F43-F45 PolarHBondContact O-N 3.43Å; F45-F65 HydrophobicContact CE1-CE1 4.3Å; F45-F65 AromaticContact CE2-CE1 3.78Å; F45-F65 HydrophobicContact CE2-CE1 3.78Å; F45-F65 AromaticContact CE2-CZ 3.44Å; F45-F65 HydrophobicContact CE2-CZ 3.44Å; F45-F65 VanDerWaalsContact CE2-CZ 3.44Å; F45-F65 HydrophobicContact CZ-CD1 4.4Å; F45-F65 AromaticContact CZ-CE1 3.28Å; F45-F65 HydrophobicContact CZ-CE1 3.28Å; F45-F65 AromaticContact CZ-CZ 3.45Å; F45-F65 HydrophobicContact CZ-CZ 3.45Å; F45-F65 VanDerWaalsContact CZ-CZ 3.45Å; F45-L102 HydrophobicContact CD1-CD1 3.94Å; F45-L102 HydrophobicContact CE1-CD1 3.95Å | ||
| 46 | T | 79 | Confident | 80.9 | Confident | 147 Ų | 147 | 105.1 Ų | 105.1 | 90% | 0.902 | 58% | 0.579 | S | S | * | * | trans | -120.3 | 128.7 | 177.4 | -62.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 47 | L | 77.5 | Confident | 81.1 | Confident | 100 Ų | 100 | 99.9 Ų | 99.9 | 52% | 0.524 | 56% | 0.561 | S | S | . | * | trans | -121.7 | 127.4 | -179.8 | -177.8 | 66.2 | 0 | 0 | 0 | 110 | V49 L64 | L47-V49 HydrophobicContact CD2-CG2 4.08Å; L47-V49 HydrophobicContact CG-CG2 4.03Å; L47-L64 HydrophobicContact CD2-CD2 3.86Å | ||
| 48 | M | 82.9 | Confident | 80.8 | Confident | 170 Ų | 170 | 95.3 Ų | 95.3 | 84% | 0.837 | 55% | 0.549 | S | S | * | . | trans | -106.9 | 130 | 170.5 | -177.8 | 177.2 | 176 | 0 | 0 | 109.2 | ||||
| 49 | V | 81.6 | Confident | 80.9 | Confident | 57 Ų | 57 | 97 Ų | 97 | 35% | 0.345 | 56% | 0.557 | S | S | . | * | trans | -121.1 | 120.2 | 177.8 | -170.8 | 0 | 0 | 0 | 0 | 108.7 | L47 K57 V61 | L47-V49 HydrophobicContact CD2-CG2 4.08Å; L47-V49 HydrophobicContact CG-CG2 4.03Å; V49-K57 HydrophobicContact CG1-CB 3.79Å; V49-K57 HydrophobicContact CG1-CD 4.13Å; V49-K57 HydrophobicContact CG1-CG 3.95Å; V49-V61 HydrophobicContact CG2-CG2 3.86Å | ||
| 50 | A | 83.3 | Confident | 81 | Confident | 78 Ų | 78 | 100.6 Ų | 100.6 | 65% | 0.645 | 57% | 0.574 | S | S | * | * | trans | -130.1 | 153.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 51 | G | 83.9 | Confident | 81.2 | Confident | 47 Ų | 47 | 94.3 Ų | 94.3 | 49% | 0.485 | 55% | 0.549 | S | S | . | . | trans | 148.5 | 170 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | K57 | G51-K57 WeakPolarHBondContact O-CE 2.92Å; G51-K57 PolarHBondContact O-NZ 3.19Å | ||
| 52 | E | 82.8 | Confident | 81 | Confident | 154 Ų | 154 | 89.8 Ų | 89.8 | 72% | 0.72 | 53% | 0.531 | S | S | * | . | trans | -58.1 | 153.9 | -177.7 | -62.3 | -178.8 | 173.5 | 0 | 0 | 113.3 | L55 K57 | E52-L55 HydrophobicContact CB-CD1 3.96Å; E52-L55 HydrophobicContact CB-CG 4.26Å; E52-L55 WeakPolarHBondContact O-CG 3.15Å; E52-K57 PolarHBondContact O-NZ 3.32Å | ||
| 53 | S | 82.6 | Confident | 81.1 | Confident | 122 Ų | 122 | 92.6 Ų | 92.6 | 85% | 0.853 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | 146.4 | 178.2 | -164.6 | 0 | 0 | 0 | 0 | 111 | L55 | S53-L55 VanDerWaalsContact C-N 3.34Å; S53-L55 PolarHBondContact O-N 3.44Å |
| 54 | G | 79.1 | Confident | 81.1 | Confident | 78 Ų | 78 | 91.7 Ų | 91.7 | 80% | 0.804 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.5 | -9.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | G56 | G54-G56 PolarHBondContact O-N 3.39Š|
| 55 | L | 83.4 | Confident | 81.2 | Confident | 119 Ų | 119 | 88.5 Ų | 88.5 | 62% | 0.623 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -68.7 | 1.2 | 178.8 | -68 | 178.6 | 0 | 0 | 0 | 115.6 | E52 S53 K57 | E52-L55 HydrophobicContact CB-CD1 3.96Å; E52-L55 HydrophobicContact CB-CG 4.26Å; E52-L55 WeakPolarHBondContact O-CG 3.15Å; S53-L55 VanDerWaalsContact C-N 3.34Å; S53-L55 PolarHBondContact O-N 3.44Å; L55-K57 HydrophobicContact CB-CG 4.45Å |
| 56 | G | 81.9 | Confident | 80.9 | Confident | 28 Ų | 28 | 90.3 Ų | 90.3 | 29% | 0.289 | 54% | 0.543 | S | S | . | . | S | Bend | trans | 78.1 | 19.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | G54 S58 T59 L60 | G54-G56 PolarHBondContact O-N 3.39Å; G56-S58 VanDerWaalsContact C-N 3.32Å; G56-S58 PolarHBondContact O-N 2.88Å; G56-T59 CarbonylContact O-C 3.59Å; G56-T59 WeakPolarHBondContact O-CA 3.29Å; G56-T59 VanDerWaalsContact O-CB 3.29Å; G56-T59 WeakPolarHBondContact O-CB 3.43Å; G56-T59 PolarHBondContact O-N 3.37Å; G56-L60 PolarHBondContact O-N 3.07Å |
| 57 | K | 87.3 | Confident | 80 | Confident | 55 Ų | 55 | 85.4 Ų | 85.4 | 24% | 0.239 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -53.3 | -46.1 | 175.5 | -60 | -175.8 | -56.2 | -71.2 | 0 | 112.7 | V49 G51 E52 L55 T59 L60 V61 | V49-K57 HydrophobicContact CG1-CB 3.79Å; V49-K57 HydrophobicContact CG1-CD 4.13Å; V49-K57 HydrophobicContact CG1-CG 3.95Å; G51-K57 WeakPolarHBondContact O-CE 2.92Å; G51-K57 PolarHBondContact O-NZ 3.19Å; E52-K57 PolarHBondContact O-NZ 3.32Å; L55-K57 HydrophobicContact CB-CG 4.45Å; K57-T59 VanDerWaalsContact C-N 3.33Å; K57-L60 PolarHBondContact O-N 3.49Å; K57-V61 WeakPolarHBondContact O-CG2 3.45Å; K57-V61 PolarHBondContact O-N 2.91Å |
| 58 | S | 77.9 | Confident | 79.2 | Confident | 65 Ų | 65 | 84.1 Ų | 84.1 | 46% | 0.455 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.9 | -36 | 176.3 | -61.4 | 0 | 0 | 0 | 0 | 112.3 | G56 H62 Y70 | G56-S58 VanDerWaalsContact C-N 3.32Å; G56-S58 PolarHBondContact O-N 2.88Å; S58-H62 VanDerWaalsContact O-CB 3.32Å; S58-H62 WeakPolarHBondContact O-CB 3.29Å; S58-H62 PolarHBondContact O-N 2.8Å; S58-Y70 WeakPolarHBondContact CB-OH 3.42Å; S58-Y70 PolarHBondContact OG-OH 3.36Å; S58-Y70 VanDerWaalsContact OG-OH 3.12Å |
| 59 | T | 84.4 | Confident | 78.1 | Confident | 91 Ų | 91 | 77.3 Ų | 77.3 | 56% | 0.558 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -64.3 | -44.3 | 174.2 | -48.2 | 0 | 0 | 0 | 0 | 111.2 | G56 K57 V61 H62 S63 | G56-T59 CarbonylContact O-C 3.59Å; G56-T59 WeakPolarHBondContact O-CA 3.29Å; G56-T59 VanDerWaalsContact O-CB 3.29Å; G56-T59 WeakPolarHBondContact O-CB 3.43Å; G56-T59 PolarHBondContact O-N 3.37Å; K57-T59 VanDerWaalsContact C-N 3.33Å; T59-V61 PolarHBondContact O-N 3.44Å; T59-H62 PolarHBondContact O-N 2.8Å; T59-S63 WeakPolarHBondContact O-CB 3.14Å; T59-S63 PolarHBondContact O-N 2.78Å; T59-S63 PolarHBondContact O-OG 3.12Å; T59-S63 VanDerWaalsContact O-OG 3.11Å |
| 60 | L | 82.3 | Confident | 77 | Confident | 108 Ų | 108 | 77.9 Ų | 77.9 | 57% | 0.565 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -58.8 | -48.3 | 177.5 | 177.6 | 65.6 | 0 | 0 | 0 | 111.7 | G56 K57 H62 S63 L64 | G56-L60 PolarHBondContact O-N 3.07Å; K57-L60 PolarHBondContact O-N 3.49Å; L60-H62 VanDerWaalsContact C-N 3.34Å; L60-H62 PolarHBondContact O-N 2.66Å; L60-S63 PolarHBondContact O-N 3.32Å; L60-L64 VanDerWaalsContact O-CB 3.29Å; L60-L64 WeakPolarHBondContact O-CB 3.46Å; L60-L64 PolarHBondContact O-N 3.35Å |
| 61 | V | 83.4 | Confident | 75.5 | Confident | 28 Ų | 28 | 81.7 Ų | 81.7 | 17% | 0.17 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -63.7 | -41.9 | 178.2 | 178 | 0 | 0 | 0 | 0 | 110.8 | V49 K57 T59 L64 F65 L69 | V49-V61 HydrophobicContact CG2-CG2 3.86Å; K57-V61 WeakPolarHBondContact O-CG2 3.45Å; K57-V61 PolarHBondContact O-N 2.91Å; T59-V61 PolarHBondContact O-N 3.44Å; V61-L64 PolarHBondContact O-N 3.4Å; V61-F65 HydrophobicContact CG1-CD2 3.84Å; V61-F65 HydrophobicContact CG1-CE2 4.07Å; V61-F65 WeakPolarHBondContact O-CD2 3.28Å; V61-F65 PolarHBondContact O-N 2.77Å; V61-F65 VanDerWaalsContact O-N 3.13Å; V61-L69 HydrophobicContact CG1-CD1 3.52Å |
| 62 | H | 78.3 | Confident | 74 | Confident | 74 Ų | 74 | 87.1 Ų | 87.1 | 34% | 0.343 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.8 | -43.5 | 177.1 | -175.9 | 62.6 | 0 | 0 | 0 | 112.2 | S58 T59 L60 L66 T67 | S58-H62 VanDerWaalsContact O-CB 3.32Å; S58-H62 WeakPolarHBondContact O-CB 3.29Å; S58-H62 PolarHBondContact O-N 2.8Å; T59-H62 PolarHBondContact O-N 2.8Å; L60-H62 VanDerWaalsContact C-N 3.34Å; L60-H62 PolarHBondContact O-N 2.66Å; H62-L66 VanDerWaalsContact O-CA 3.29Å; H62-L66 WeakPolarHBondContact O-CA 3.31Å; H62-L66 PolarHBondContact O-N 2.83Å; H62-T67 PolarHBondContact CE1-O 3.01Å; H62-T67 PolarHBondContact ND1-O 3.04Å |
| 63 | S | 80.9 | Confident | 72.3 | Confident | 73 Ų | 73 | 84.6 Ų | 84.6 | 51% | 0.51 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -67.4 | -35.6 | 175.5 | -64.1 | 0 | 0 | 0 | 0 | 112.8 | T59 L60 L66 | T59-S63 WeakPolarHBondContact O-CB 3.14Å; T59-S63 PolarHBondContact O-N 2.78Å; T59-S63 PolarHBondContact O-OG 3.12Å; T59-S63 VanDerWaalsContact O-OG 3.11Å; L60-S63 PolarHBondContact O-N 3.32Å; S63-L66 WeakPolarHBondContact O-CD2 3.18Å |
| 64 | L | 80.4 | Confident | 70.5 | Confident | 103 Ų | 103 | 88 Ų | 88 | 54% | 0.539 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -67.2 | -39.8 | -180 | -172.2 | 70 | 0 | 0 | 0 | 111.9 | L47 L60 V61 | L47-L64 HydrophobicContact CD2-CD2 3.86Å; L60-L64 VanDerWaalsContact O-CB 3.29Å; L60-L64 WeakPolarHBondContact O-CB 3.46Å; L60-L64 PolarHBondContact O-N 3.35Å; V61-L64 PolarHBondContact O-N 3.4Å |
| 65 | F | 79.3 | Confident | 68.9 | Low | 48 Ų | 48 | 91.1 Ų | 91.1 | 21% | 0.211 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -103.2 | -3.5 | -176.2 | -61.8 | -59.9 | 0 | 0 | 0 | 114.4 | F45 V61 T67 L69 I95 | F45-F65 HydrophobicContact CE1-CE1 4.3Å; F45-F65 AromaticContact CE2-CE1 3.78Å; F45-F65 HydrophobicContact CE2-CE1 3.78Å; F45-F65 AromaticContact CE2-CZ 3.44Å; F45-F65 HydrophobicContact CE2-CZ 3.44Å; F45-F65 VanDerWaalsContact CE2-CZ 3.44Å; F45-F65 HydrophobicContact CZ-CD1 4.4Å; F45-F65 AromaticContact CZ-CE1 3.28Å; F45-F65 HydrophobicContact CZ-CE1 3.28Å; F45-F65 AromaticContact CZ-CZ 3.45Å; F45-F65 HydrophobicContact CZ-CZ 3.45Å; F45-F65 VanDerWaalsContact CZ-CZ 3.45Å; V61-F65 HydrophobicContact CG1-CD2 3.84Å; V61-F65 HydrophobicContact CG1-CE2 4.07Å; V61-F65 WeakPolarHBondContact O-CD2 3.28Å; V61-F65 PolarHBondContact O-N 2.77Å; V61-F65 VanDerWaalsContact O-N 3.13Å; F65-T67 VanDerWaalsContact CB-OG1 3.24Å; F65-T67 WeakPolarHBondContact CB-OG1 3.31Å; F65-T67 PolarHBondContact O-N 3.49Å; F65-T67 PolarHBondContact O-OG1 3.24Å; F65-L69 HydrophobicContact CD2-CD1 4.35Å; F65-I95 HydrophobicContact CD1-CD1 3.46Å; F65-I95 VanDerWaalsContact CD1-CD1 3.46Å; F65-I95 HydrophobicContact CE1-CD1 3.98Å; F65-I95 HydrophobicContact CG-CD1 4.32Å |
| 66 | L | 67.7 | Low | 67.1 | Low | 152 Ų | 152 | 89.9 Ų | 89.9 | 80% | 0.796 | 46% | 0.464 | S | S | * | . | trans | 45.8 | 23.2 | -176.3 | -60.8 | 175.6 | 0 | 0 | 0 | 113.5 | H62 S63 | H62-L66 VanDerWaalsContact O-CA 3.29Å; H62-L66 WeakPolarHBondContact O-CA 3.31Å; H62-L66 PolarHBondContact O-N 2.83Å; S63-L66 WeakPolarHBondContact O-CD2 3.18Å | ||
| 67 | T | 58.9 | Low | 65.4 | Low | 44 Ų | 44 | 91.4 Ų | 91.4 | 27% | 0.27 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -119.5 | 134.3 | -176.2 | 21.5 | 0 | 0 | 0 | 0 | 108 | H62 F65 L69 V93 | H62-T67 PolarHBondContact CE1-O 3.01Å; H62-T67 PolarHBondContact ND1-O 3.04Å; F65-T67 VanDerWaalsContact CB-OG1 3.24Å; F65-T67 WeakPolarHBondContact CB-OG1 3.31Å; F65-T67 PolarHBondContact O-N 3.49Å; F65-T67 PolarHBondContact O-OG1 3.24Å; T67-L69 PolarHBondContact O-N 3.18Å; T67-V93 HydrophobicContact CG2-CG1 3.94Å |
| 68 | D | 61 | Low | 63.6 | Low | 73 Ų | 73 | 91.7 Ų | 91.7 | 39% | 0.39 | 48% | 0.484 | S | S | . | . | trans | -79.3 | 79.5 | 174.4 | -167.3 | 2.3 | 0 | 0 | 0 | 108.5 | Y70 K71 | D68-Y70 PolarHBondContact O-N 3.47Å; D68-Y70 VanDerWaalsContact O-N 3.07Å; D68-K71 HydrophobicContact CB-CD 3.77Å; D68-K71 VanDerWaalsContact CB-CE 3.45Å; D68-K71 HydrophobicContact CB-CG 3.76Å; D68-K71 VanDerWaalsContact CG-CG 3.5Å; D68-K71 WeakPolarHBondContact O-CG 3.41Å; D68-K71 PolarHBondContact O-N 3.01Å; D68-K71 VanDerWaalsContact OD2-CE 3.29Å; D68-K71 WeakPolarHBondContact OD2-CE 3.38Å; D68-K71 VanDerWaalsContact OD2-CG 3.29Å; D68-K71 WeakPolarHBondContact OD2-CG 3.17Å | ||
| 69 | L | 58.9 | Low | 62.3 | Low | 27 Ų | 27 | 95.6 Ų | 95.6 | 14% | 0.141 | 50% | 0.495 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -16.6 | -180 | -66.6 | 163.1 | 0 | 0 | 0 | 111.7 | V61 F65 T67 H91 V93 | V61-L69 HydrophobicContact CG1-CD1 3.52Å; F65-L69 HydrophobicContact CD2-CD1 4.35Å; T67-L69 PolarHBondContact O-N 3.18Å; L69-H91 HydrophobicContact CB-CB 4.21Å; L69-H91 HydrophobicContact CD2-CB 3.78Å; L69-H91 PolarHBondContact O-CE1 3.37Å; L69-H91 PolarHBondContact O-ND1 3.46Å; L69-V93 HydrophobicContact CD2-CB 4.35Å; L69-V93 HydrophobicContact CD2-CG2 3.19Å |
| 70 | Y | 59 | Low | 60.6 | Low | 68 Ų | 68 | 95.7 Ų | 95.7 | 27% | 0.267 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 3.6 | -172.5 | -61.4 | -87.8 | 0 | 0 | 0 | 114.2 | S58 D68 D72 R73 | S58-Y70 WeakPolarHBondContact CB-OH 3.42Å; S58-Y70 PolarHBondContact OG-OH 3.36Å; S58-Y70 VanDerWaalsContact OG-OH 3.12Å; D68-Y70 PolarHBondContact O-N 3.47Å; D68-Y70 VanDerWaalsContact O-N 3.07Å; Y70-D72 PolarHBondContact O-N 2.98Å; Y70-D72 VanDerWaalsContact O-N 3.08Å; Y70-R73 VanDerWaalsContact CD1-NE 3.34Å; Y70-R73 VanDerWaalsContact CE1-CZ 3.49Å; Y70-R73 PolarHBondContact O-N 2.81Å |
| 71 | K | 52.6 | Low | 58.9 | Low | 158 Ų | 158 | 97.9 Ų | 97.9 | 69% | 0.687 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -28 | -172.8 | -80.9 | 175.4 | 166.7 | 164.7 | 0 | 115.5 | D68 | D68-K71 HydrophobicContact CB-CD 3.77Å; D68-K71 VanDerWaalsContact CB-CE 3.45Å; D68-K71 HydrophobicContact CB-CG 3.76Å; D68-K71 VanDerWaalsContact CG-CG 3.5Å; D68-K71 WeakPolarHBondContact O-CG 3.41Å; D68-K71 PolarHBondContact O-N 3.01Å; D68-K71 VanDerWaalsContact OD2-CE 3.29Å; D68-K71 WeakPolarHBondContact OD2-CE 3.38Å; D68-K71 VanDerWaalsContact OD2-CG 3.29Å; D68-K71 WeakPolarHBondContact OD2-CG 3.17Å |
| 72 | D | 52.4 | Low | 57.3 | Low | 162 Ų | 162 | 103.2 Ų | 103.2 | 87% | 0.866 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.1 | 8.5 | -179.2 | -62.5 | -41.7 | 0 | 0 | 0 | 114.2 | Y70 K74 | Y70-D72 PolarHBondContact O-N 2.98Å; Y70-D72 VanDerWaalsContact O-N 3.08Å; D72-K74 PolarHBondContact O-N 2.89Å |
| 73 | R | 47.3 | Very low | 55.8 | Low | 101 Ų | 101 | 104.2 Ų | 104.2 | 38% | 0.381 | 53% | 0.531 | S | S | . | . | trans | -77.5 | 114.5 | 174 | -68.6 | -161.2 | -170.6 | -166.3 | 2.2 | 110.2 | Y70 L75 L89 H91 | Y70-R73 VanDerWaalsContact CD1-NE 3.34Å; Y70-R73 VanDerWaalsContact CE1-CZ 3.49Å; Y70-R73 PolarHBondContact O-N 2.81Å; R73-L75 PolarHBondContact O-N 3.13Å; R73-L89 VanDerWaalsContact NH1-CD1 3.33Å; R73-L89 VanDerWaalsContact NH2-CD1 3.32Å; R73-H91 PolarHBondContact NH2-NE2 3.23Å | ||
| 74 | K | 44.8 | Very low | 54.1 | Low | 193 Ų | 193 | 105.5 Ų | 105.5 | 84% | 0.839 | 53% | 0.529 | S | S | * | . | trans | -52 | 115.8 | 154.1 | -86.5 | -176.8 | 175.3 | 179.5 | 0 | 107.3 | D72 L76 | D72-K74 PolarHBondContact O-N 2.89Å; K74-L76 VanDerWaalsContact C-N 3.31Å; K74-L76 PolarHBondContact O-N 3.32Å | ||
| 75 | L | 45.1 | Very low | 52.4 | Low | 143 Ų | 143 | 106.8 Ų | 106.8 | 75% | 0.749 | 54% | 0.541 | S | S | * | . | trans | -69.9 | 88.7 | 179.3 | -59.7 | 172.9 | 0 | 0 | 0 | 108.9 | R73 | R73-L75 PolarHBondContact O-N 3.13Š| ||
| 76 | L | 45.5 | Very low | 50.6 | Low | 93 Ų | 93 | 111.1 Ų | 111.1 | 49% | 0.487 | 57% | 0.571 | S | S | . | * | trans | -65.9 | 147.9 | 163 | -68.8 | 175.3 | 0 | 0 | 0 | 109.4 | K74 E80 R81 | K74-L76 VanDerWaalsContact C-N 3.31Å; K74-L76 PolarHBondContact O-N 3.32Å; L76-E80 HydrophobicContact CB-CB 4.47Å; L76-E80 WeakPolarHBondContact CB-OE2 3.48Å; L76-R81 PolarHBondContact O-NE 2.87Å; L76-R81 VanDerWaalsContact O-NE 3.15Å | ||
| 77 | S | 46.8 | Very low | 49.5 | Very low | 60 Ų | 60 | 109 Ų | 109 | 42% | 0.42 | 56% | 0.557 | S | S | . | * | trans | -63.7 | 160.7 | -166.6 | 91.1 | 0 | 0 | 0 | 0 | 112 | E79 E80 R81 | S77-E79 PolarHBondContact O-N 3.11Å; S77-E79 VanDerWaalsContact O-N 3.17Å; S77-E79 PolarHBondContact OG-OE2 3.37Å; S77-E80 PolarHBondContact O-N 2.83Å; S77-R81 PolarHBondContact O-N 3.26Å | ||
| 78 | A | 49.4 | Very low | 49 | Very low | 62 Ų | 62 | 114.7 Ų | 114.7 | 51% | 0.512 | 58% | 0.584 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -57.3 | -30.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 79 | E | 49.9 | Very low | 48.3 | Very low | 147 Ų | 147 | 114.3 Ų | 114.3 | 69% | 0.687 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | -36.1 | 175.8 | -72.5 | 76.5 | -161.1 | 0 | 0 | 113.4 | S77 | S77-E79 PolarHBondContact O-N 3.11Å; S77-E79 VanDerWaalsContact O-N 3.17Å; S77-E79 PolarHBondContact OG-OE2 3.37Å |
| 80 | E | 47.8 | Very low | 47.8 | Very low | 93 Ų | 93 | 117.1 Ų | 117.1 | 44% | 0.435 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -77.1 | -28.5 | -179.4 | -68.7 | 175.9 | 141 | 0 | 0 | 112.1 | L76 S77 I82 S83 | L76-E80 HydrophobicContact CB-CB 4.47Å; L76-E80 WeakPolarHBondContact CB-OE2 3.48Å; S77-E80 PolarHBondContact O-N 2.83Å; E80-I82 PolarHBondContact O-N 3.49Å; E80-S83 PolarHBondContact O-N 2.86Å; E80-S83 PolarHBondContact O-OG 3.2Å |
| 81 | R | 47.3 | Very low | 47.3 | Very low | 153 Ų | 153 | 117.3 Ų | 117.3 | 58% | 0.577 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -62.9 | -22.9 | 178.5 | -68.5 | 179.3 | -175.6 | -166.7 | -4.3 | 114.5 | L76 S77 | L76-R81 PolarHBondContact O-NE 2.87Å; L76-R81 VanDerWaalsContact O-NE 3.15Å; S77-R81 PolarHBondContact O-N 3.26Å |
| 82 | I | 49.7 | Very low | 47.1 | Very low | 141 Ų | 141 | 113.3 Ų | 113.3 | 72% | 0.723 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -83.2 | -29.3 | -178.1 | -61.4 | 170.2 | 0 | 0 | 0 | 110.7 | E80 | E80-I82 PolarHBondContact O-N 3.49Å |
| 83 | S | 47.2 | Very low | 47.1 | Very low | 95 Ų | 95 | 108.2 Ų | 108.2 | 66% | 0.664 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -87.6 | -30.3 | -173.7 | 77.3 | 0 | 0 | 0 | 0 | 114.2 | E80 T85 | E80-S83 PolarHBondContact O-N 2.86Å; E80-S83 PolarHBondContact O-OG 3.2Å; S83-T85 PolarHBondContact O-N 2.95Å; S83-T85 VanDerWaalsContact O-N 3.11Å |
| 84 | Q | 45.3 | Very low | 47.4 | Very low | 100 Ų | 100 | 109.4 Ų | 109.4 | 47% | 0.467 | 57% | 0.574 | S | S | . | * | trans | -90.9 | 70.5 | -177.2 | -74.2 | -172.1 | -65.1 | 0 | 0 | 112 | V86 | Q84-V86 PolarHBondContact O-N 3.17Š| ||
| 85 | T | 44.4 | Very low | 47.9 | Very low | 129 Ų | 129 | 103 Ų | 103 | 79% | 0.791 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | 17.2 | 163.7 | -39.9 | 0 | 0 | 0 | 0 | 111.9 | S83 | S83-T85 PolarHBondContact O-N 2.95Å; S83-T85 VanDerWaalsContact O-N 3.11Å |
| 86 | V | 40.9 | Very low | 48 | Very low | 139 Ų | 139 | 102 Ų | 102 | 84% | 0.842 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.2 | 43.3 | 175.4 | -159.4 | 0 | 0 | 0 | 0 | 110.9 | Q84 | Q84-V86 PolarHBondContact O-N 3.17Š|
| 87 | E | 44.4 | Very low | 48.1 | Very low | 107 Ų | 107 | 103.9 Ų | 103.9 | 50% | 0.5 | 55% | 0.546 | S | S | . | . | trans | -114.4 | 103.8 | 165.3 | -153.4 | -176.3 | -174.1 | 0 | 0 | 109.8 | L89 | E87-L89 HydrophobicContact CB-CG 4.47Å; E87-L89 HydrophobicContact CG-CD1 4.41Å; E87-L89 HydrophobicContact CG-CD2 4.23Å; E87-L89 HydrophobicContact CG-CG 4.02Å; E87-L89 PolarHBondContact O-N 3.25Å; E87-L89 VanDerWaalsContact O-N 3.08Å | ||
| 88 | I | 48.4 | Very low | 48.2 | Very low | 165 Ų | 165 | 109.8 Ų | 109.8 | 85% | 0.846 | 56% | 0.564 | S | S | * | * | trans | -75.6 | 95.3 | 173.3 | -58.4 | 174.2 | 0 | 0 | 0 | 107.2 | ||||
| 89 | L | 47.9 | Very low | 48.3 | Very low | 65 Ų | 65 | 108.9 Ų | 108.9 | 34% | 0.34 | 56% | 0.56 | S | S | . | * | trans | -92.7 | 110.6 | 176.8 | -72.1 | 166.6 | 0 | 0 | 0 | 109.7 | R73 E87 | R73-L89 VanDerWaalsContact NH1-CD1 3.33Å; R73-L89 VanDerWaalsContact NH2-CD1 3.32Å; E87-L89 HydrophobicContact CB-CG 4.47Å; E87-L89 HydrophobicContact CG-CD1 4.41Å; E87-L89 HydrophobicContact CG-CD2 4.23Å; E87-L89 HydrophobicContact CG-CG 4.02Å; E87-L89 PolarHBondContact O-N 3.25Å; E87-L89 VanDerWaalsContact O-N 3.08Å | ||
| 90 | K | 46.9 | Very low | 48.1 | Very low | 85 Ų | 85 | 103.2 Ų | 103.2 | 37% | 0.37 | 54% | 0.536 | S | S | . | . | trans | -84.7 | 111.1 | -177.5 | -171.8 | -175.4 | -166 | -173.5 | 0 | 109.8 | L107 M110 | K90-L107 HydrophobicContact CD-CD1 4.17Å; K90-L107 VanDerWaalsContact NZ-CG 3.28Å; K90-L107 PolarHBondContact NZ-O 3.24Å; K90-M110 HydrophobicContact CD-CE 3.95Å | ||
| 91 | H | 49.9 | Very low | 48.3 | Very low | 72 Ų | 72 | 103.3 Ų | 103.3 | 33% | 0.333 | 54% | 0.535 | S | S | . | . | trans | -103.1 | 125.7 | 172.6 | -63.6 | -68.4 | 0 | 0 | 0 | 109.3 | L69 R73 | L69-H91 HydrophobicContact CB-CB 4.21Å; L69-H91 HydrophobicContact CD2-CB 3.78Å; L69-H91 PolarHBondContact O-CE1 3.37Å; L69-H91 PolarHBondContact O-ND1 3.46Å; R73-H91 PolarHBondContact NH2-NE2 3.23Å | ||
| 92 | T | 46.8 | Very low | 48.6 | Very low | 75 Ų | 75 | 97.8 Ų | 97.8 | 46% | 0.46 | 52% | 0.516 | S | S | . | . | trans | -111.7 | 122.8 | 177.9 | -41.5 | 0 | 0 | 0 | 0 | 107.2 | L107 | T92-L107 HydrophobicContact CG2-CD1 3.98Å; T92-L107 HydrophobicContact CG2-CD2 4.46Å; T92-L107 WeakPolarHBondContact OG1-CD1 3.37Å | ||
| 93 | V | 53.9 | Low | 49 | Very low | 54 Ų | 54 | 98.2 Ų | 98.2 | 33% | 0.327 | 51% | 0.513 | S | S | . | . | trans | -128.9 | 126.9 | 176.5 | 176 | 0 | 0 | 0 | 0 | 108.1 | T67 L69 I95 | T67-V93 HydrophobicContact CG2-CG1 3.94Å; L69-V93 HydrophobicContact CD2-CB 4.35Å; L69-V93 HydrophobicContact CD2-CG2 3.19Å; V93-I95 HydrophobicContact CB-CG1 4.41Å; V93-I95 HydrophobicContact CG1-CG1 3.83Å; V93-I95 PolarHBondContact O-N 2.95Å | ||
| 94 | D | 52.1 | Low | 49.6 | Very low | 126 Ų | 126 | 97.6 Ų | 97.6 | 67% | 0.674 | 50% | 0.502 | S | S | * | . | trans | -75.5 | 108.8 | 169.9 | -69.3 | -25.8 | 0 | 0 | 0 | 108.7 | ||||
| 95 | I | 56.7 | Low | 50.3 | Low | 58 Ų | 58 | 99.9 Ų | 99.9 | 30% | 0.297 | 51% | 0.513 | S | S | . | . | trans | -104.3 | 126 | 177.6 | -54.2 | 176 | 0 | 0 | 0 | 108.4 | F65 V93 | F65-I95 HydrophobicContact CD1-CD1 3.46Å; F65-I95 VanDerWaalsContact CD1-CD1 3.46Å; F65-I95 HydrophobicContact CE1-CD1 3.98Å; F65-I95 HydrophobicContact CG-CD1 4.32Å; V93-I95 HydrophobicContact CB-CG1 4.41Å; V93-I95 HydrophobicContact CG1-CG1 3.83Å; V93-I95 PolarHBondContact O-N 2.95Å | ||
| 96 | E | 46.5 | Very low | 51 | Low | 124 Ų | 124 | 99 Ų | 99 | 58% | 0.579 | 50% | 0.5 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 108.3 | 173.8 | -177.2 | 168.3 | -167.1 | 0 | 0 | 109.2 | K101 | E96-K101 HydrophobicContact CG-CG 4.33Å; E96-K101 WeakPolarHBondContact OE1-CE 3.47Å; E96-K101 IonicContact OE1-NZ 3.89Å; E96-K101 WeakPolarHBondContact OE2-CE 3.27Å; E96-K101 IonicContact OE2-NZ 3.73Å; E96-K101 PolarHBondContact OE2-NZ 3.08Å |
| 97 | E | 47.5 | Very low | 52 | Low | 132 Ų | 132 | 94.6 Ų | 94.6 | 62% | 0.617 | 47% | 0.471 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 128.1 | 173.2 | -148 | -165.2 | 156.9 | 0 | 0 | 109.9 | G99 V100 | E97-G99 PolarHBondContact O-N 3.04Å; E97-V100 WeakPolarHBondContact O-CB 3.47Å; E97-V100 PolarHBondContact O-N 3.06Å |
| 98 | K | 49.2 | Very low | 53.2 | Low | 184 Ų | 184 | 97.9 Ų | 97.9 | 80% | 0.8 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 33.4 | 177 | -59.8 | 177 | -175 | 170.4 | 0 | 114.9 | ||
| 99 | G | 51.3 | Low | 54.3 | Low | 42 Ų | 42 | 97.1 Ų | 97.1 | 43% | 0.433 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.7 | 11.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | K40 E97 | K40-G99 WeakPolarHBondContact CA-O 3.24Å; E97-G99 PolarHBondContact O-N 3.04Å |
| 100 | V | 46.1 | Very low | 55.2 | Low | 28 Ų | 28 | 98.2 Ų | 98.2 | 17% | 0.17 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 118.1 | 175.7 | -177.9 | 0 | 0 | 0 | 0 | 109.3 | V39 F43 E97 | V39-V100 HydrophobicContact CB-CG2 4.19Å; V39-V100 HydrophobicContact CG1-CG2 3.38Å; V39-V100 WeakPolarHBondContact O-CA 3.34Å; V39-V100 WeakPolarHBondContact O-CB 3.24Å; V39-V100 WeakPolarHBondContact O-CG1 3.32Å; V39-V100 VanDerWaalsContact O-CG2 3.31Å; V39-V100 WeakPolarHBondContact O-CG2 3.13Å; F43-V100 HydrophobicContact CD2-CG1 3.88Å; F43-V100 HydrophobicContact CE2-CG1 4.24Å; E97-V100 WeakPolarHBondContact O-CB 3.47Å; E97-V100 PolarHBondContact O-N 3.06Å |
| 101 | K | 50.9 | Low | 56.3 | Low | 95 Ų | 95 | 99.4 Ų | 99.4 | 41% | 0.413 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 121.9 | 176.4 | -77 | -166 | 178 | -160.6 | 0 | 111.1 | K41 G42 E96 | K41-K101 CarbonylContact C-O 3.24Å; K41-K101 VanDerWaalsContact C-O 3.24Å; G42-K101 WeakPolarHBondContact CA-O 3.34Å; G42-K101 PolarHBondContact N-O 3.4Å; E96-K101 HydrophobicContact CG-CG 4.33Å; E96-K101 WeakPolarHBondContact OE1-CE 3.47Å; E96-K101 IonicContact OE1-NZ 3.89Å; E96-K101 WeakPolarHBondContact OE2-CE 3.27Å; E96-K101 IonicContact OE2-NZ 3.73Å; E96-K101 PolarHBondContact OE2-NZ 3.08Å |
| 102 | L | 55.6 | Low | 57.8 | Low | 37 Ų | 37 | 100.3 Ų | 100.3 | 19% | 0.194 | 48% | 0.481 | C | S | . | . | trans | -86.4 | 131 | 173.1 | -88.4 | 164.8 | 0 | 0 | 0 | 111 | F43 D44 F45 | F43-L102 WeakPolarHBondContact O-CD1 3.29Å; F43-L102 WeakPolarHBondContact O-CD2 3.29Å; F43-L102 WeakPolarHBondContact O-CG 3.34Å; D44-L102 VanDerWaalsContact CA-CD2 3.49Å; D44-L102 HydrophobicContact CB-CD2 4.33Å; D44-L102 WeakPolarHBondContact OD1-CD2 3.47Å; F45-L102 HydrophobicContact CD1-CD1 3.94Å; F45-L102 HydrophobicContact CE1-CD1 3.95Å | ||
| 103 | K | 57.6 | Low | 59.2 | Low | 150 Ų | 150 | 102.5 Ų | 102.5 | 65% | 0.652 | 49% | 0.488 | S | S | * | . | trans | -136.3 | 110.3 | -173.8 | -79.8 | -167.4 | 174.4 | -170.2 | 0 | 114.5 | E105 | K103-E105 VanDerWaalsContact C-N 3.3Å; K103-E105 PolarHBondContact O-N 2.91Å | ||
| 104 | D | 59.9 | Low | 60.2 | Low | 83 Ų | 83 | 104.1 Ų | 104.1 | 44% | 0.444 | 49% | 0.494 | S | S | . | . | S | Bend | trans | 34.4 | -12.2 | 131.9 | -73 | -22.9 | 0 | 0 | 0 | 125.2 | E106 L107 | D104-E106 VanDerWaalsContact C-N 3.35Å; D104-E106 PolarHBondContact O-N 3.24Å; D104-L107 WeakPolarHBondContact O-CB 3.35Å; D104-L107 PolarHBondContact O-N 2.91Å |
| 105 | E | 59.1 | Low | 61.4 | Low | 148 Ų | 148 | 105 Ų | 105 | 69% | 0.692 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -69.5 | -33.7 | -179.6 | -78.5 | -159.8 | 168.9 | 0 | 0 | 112.9 | K103 L107 R108 R109 | K103-E105 VanDerWaalsContact C-N 3.3Å; K103-E105 PolarHBondContact O-N 2.91Å; E105-L107 PolarHBondContact O-N 3.33Å; E105-R108 PolarHBondContact O-N 2.87Å; E105-R109 PolarHBondContact O-N 2.96Å |
| 106 | E | 59.7 | Low | 62.8 | Low | 109 Ų | 109 | 110.8 Ų | 110.8 | 51% | 0.509 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.9 | -29.1 | 174 | -71.2 | -67.6 | 128 | 0 | 0 | 111.7 | D104 R108 R109 M110 | D104-E106 VanDerWaalsContact C-N 3.35Å; D104-E106 PolarHBondContact O-N 3.24Å; E106-R108 VanDerWaalsContact C-N 3.35Å; E106-R108 PolarHBondContact O-N 3.47Å; E106-R109 PolarHBondContact O-N 2.88Å; E106-R109 IonicContact OE1-NH1 3.91Å; E106-M110 WeakPolarHBondContact O-CB 3.28Å; E106-M110 PolarHBondContact O-N 3.46Å |
| 107 | L | 61.8 | Low | 64.2 | Low | 47 Ų | 47 | 110.3 Ų | 110.3 | 25% | 0.246 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -61.8 | -44.3 | 179.1 | -160.5 | 85.8 | 0 | 0 | 0 | 111.6 | K90 T92 D104 E105 Q111 | K90-L107 HydrophobicContact CD-CD1 4.17Å; K90-L107 VanDerWaalsContact NZ-CG 3.28Å; K90-L107 PolarHBondContact NZ-O 3.24Å; T92-L107 HydrophobicContact CG2-CD1 3.98Å; T92-L107 HydrophobicContact CG2-CD2 4.46Å; T92-L107 WeakPolarHBondContact OG1-CD1 3.37Å; D104-L107 WeakPolarHBondContact O-CB 3.35Å; D104-L107 PolarHBondContact O-N 2.91Å; E105-L107 PolarHBondContact O-N 3.33Å; L107-Q111 WeakPolarHBondContact O-CG 3.34Å; L107-Q111 PolarHBondContact O-N 2.9Å; L107-Q111 VanDerWaalsContact O-N 3.07Å |
| 108 | R | 69 | Low | 65.3 | Low | 176 Ų | 176 | 110.9 Ų | 110.9 | 66% | 0.664 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -68.8 | -42.8 | -179.6 | -170.4 | 175 | 178 | 174.2 | 3.2 | 111.2 | E105 E106 M110 Q111 E112 | E105-R108 PolarHBondContact O-N 2.87Å; E106-R108 VanDerWaalsContact C-N 3.35Å; E106-R108 PolarHBondContact O-N 3.47Å; R108-M110 VanDerWaalsContact C-N 3.35Å; R108-M110 PolarHBondContact O-N 2.85Å; R108-Q111 PolarHBondContact O-N 3.34Å; R108-E112 IonicContact NE-OE1 2.79Å; R108-E112 WeakPolarHBondContact O-CG 2.96Å; R108-E112 PolarHBondContact O-N 2.93Å |
| 109 | R | 72.7 | Confident | 66.6 | Low | 150 Ų | 150 | 107 Ų | 107 | 57% | 0.566 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63 | -40.5 | 176.5 | -69.2 | -179.5 | 179.2 | -170.6 | -0.3 | 112.3 | E105 E106 E112 M113 | E105-R109 PolarHBondContact O-N 2.96Å; E106-R109 PolarHBondContact O-N 2.88Å; E106-R109 IonicContact OE1-NH1 3.91Å; R109-E112 PolarHBondContact O-N 2.79Å; R109-M113 PolarHBondContact O-N 3.03Å |
| 110 | M | 66.6 | Low | 67.7 | Low | 87 Ų | 87 | 111.7 Ų | 111.7 | 43% | 0.429 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -72 | -33.2 | 179.4 | -153.6 | -178.8 | 92.8 | 0 | 0 | 112.2 | K90 E106 R108 M113 L114 | K90-M110 HydrophobicContact CD-CE 3.95Å; E106-M110 WeakPolarHBondContact O-CB 3.28Å; E106-M110 PolarHBondContact O-N 3.46Å; R108-M110 VanDerWaalsContact C-N 3.35Å; R108-M110 PolarHBondContact O-N 2.85Å; M110-M113 PolarHBondContact O-N 3.11Å; M110-L114 HydrophobicContact CE-CD1 4.36Å; M110-L114 WeakPolarHBondContact O-CG 3.46Å; M110-L114 PolarHBondContact O-N 3.16Å; M110-L114 VanDerWaalsContact O-N 3.07Å |
| 111 | Q | 69.4 | Low | 68.8 | Low | 110 Ų | 110 | 117 Ų | 117 | 51% | 0.514 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.7 | -42.6 | 172.6 | -80.5 | -179.4 | -22.7 | 0 | 0 | 111.9 | L107 R108 M113 L114 Q115 | L107-Q111 WeakPolarHBondContact O-CG 3.34Å; L107-Q111 PolarHBondContact O-N 2.9Å; L107-Q111 VanDerWaalsContact O-N 3.07Å; R108-Q111 PolarHBondContact O-N 3.34Å; Q111-M113 PolarHBondContact O-N 3.25Å; Q111-L114 PolarHBondContact O-N 3.08Å; Q111-Q115 PolarHBondContact O-N 2.85Å |
| 112 | E | 81.4 | Confident | 69.1 | Low | 92 Ų | 92 | 119.4 Ų | 119.4 | 43% | 0.43 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.6 | -39.8 | 175.8 | -73.7 | 174.3 | -171.1 | 0 | 0 | 112 | R108 R109 Q115 R116 | R108-E112 IonicContact NE-OE1 2.79Å; R108-E112 WeakPolarHBondContact O-CG 2.96Å; R108-E112 PolarHBondContact O-N 2.93Å; R109-E112 PolarHBondContact O-N 2.79Å; E112-Q115 PolarHBondContact O-N 3Å; E112-R116 WeakPolarHBondContact O-CG 3.38Å; E112-R116 PolarHBondContact O-N 3.27Å; E112-R116 VanDerWaalsContact O-N 3.13Å |
| 113 | M | 76.4 | Confident | 69.4 | Low | 120 Ų | 120 | 123.3 Ų | 123.3 | 59% | 0.591 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -65.2 | -43.4 | 176.9 | -169.2 | -176.3 | -63.7 | 0 | 0 | 112.4 | R109 M110 Q111 Q115 R116 M117 | R109-M113 PolarHBondContact O-N 3.03Å; M110-M113 PolarHBondContact O-N 3.11Å; Q111-M113 PolarHBondContact O-N 3.25Å; M113-Q115 PolarHBondContact O-N 3.34Å; M113-R116 PolarHBondContact O-N 3.39Å; M113-M117 PolarHBondContact O-N 3.19Å |
| 114 | L | 75.6 | Confident | 68.9 | Low | 88 Ų | 88 | 127 Ų | 127 | 46% | 0.461 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -66.4 | -36.4 | 177.8 | -77.5 | 167.9 | 0 | 0 | 0 | 112.5 | M110 Q111 R116 M117 K118 | M110-L114 HydrophobicContact CE-CD1 4.36Å; M110-L114 WeakPolarHBondContact O-CG 3.46Å; M110-L114 PolarHBondContact O-N 3.16Å; M110-L114 VanDerWaalsContact O-N 3.07Å; Q111-L114 PolarHBondContact O-N 3.08Å; L114-R116 VanDerWaalsContact C-N 3.33Å; L114-M117 PolarHBondContact O-N 3.23Å; L114-K118 PolarHBondContact O-N 3.35Å; L114-K118 VanDerWaalsContact O-N 3.11Å |
| 115 | Q | 76.8 | Confident | 69.4 | Low | 144 Ų | 144 | 129.2 Ų | 129.2 | 67% | 0.673 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -63.6 | -40.2 | 173.5 | -79 | -168.1 | -22.7 | 0 | 0 | 111.7 | Q111 E112 M113 K118 Q119 | Q111-Q115 PolarHBondContact O-N 2.85Å; E112-Q115 PolarHBondContact O-N 3Å; M113-Q115 PolarHBondContact O-N 3.34Å; Q115-K118 PolarHBondContact O-N 3.46Å; Q115-Q119 PolarHBondContact O-N 3.2Å; Q115-Q119 VanDerWaalsContact O-N 3.09Å |
| 116 | R | 85.9 | Confident | 69.9 | Low | 180 Ų | 180 | 128.2 Ų | 128.2 | 68% | 0.679 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -64.4 | -41.9 | 176.7 | -72.7 | 176.5 | -179.2 | -169.3 | 1.7 | 112.7 | E112 M113 L114 Q119 Q120 | E112-R116 WeakPolarHBondContact O-CG 3.38Å; E112-R116 PolarHBondContact O-N 3.27Å; E112-R116 VanDerWaalsContact O-N 3.13Å; M113-R116 PolarHBondContact O-N 3.39Å; L114-R116 VanDerWaalsContact C-N 3.33Å; R116-Q119 PolarHBondContact O-N 3.03Å; R116-Q120 WeakPolarHBondContact O-CG 3.47Å; R116-Q120 PolarHBondContact O-N 3.42Å; R116-Q120 VanDerWaalsContact O-N 3.15Å |
| 117 | M | 75.3 | Confident | 70.5 | Confident | 114 Ų | 114 | 129.2 Ų | 129.2 | 56% | 0.562 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -66.1 | -36.9 | 177.7 | -70.6 | -175.2 | 73.6 | 0 | 0 | 112.6 | M113 L114 Q120 M121 | M113-M117 PolarHBondContact O-N 3.19Å; L114-M117 PolarHBondContact O-N 3.23Å; M117-Q120 PolarHBondContact O-N 3.37Å; M117-M121 PolarHBondContact O-N 3.47Å |
| 118 | K | 70.4 | Confident | 71 | Confident | 145 Ų | 145 | 134.1 Ų | 134.1 | 63% | 0.63 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -66.8 | -38.7 | 175.5 | -76.4 | -173.2 | 177.1 | -173.1 | 0 | 112.4 | L114 Q115 M121 Q122 | L114-K118 PolarHBondContact O-N 3.35Å; L114-K118 VanDerWaalsContact O-N 3.11Å; Q115-K118 PolarHBondContact O-N 3.46Å; K118-M121 PolarHBondContact O-N 3.32Å; K118-Q122 PolarHBondContact O-N 3.23Å |
| 119 | Q | 76.7 | Confident | 71.1 | Confident | 101 Ų | 101 | 131.4 Ų | 131.4 | 47% | 0.472 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -63.2 | -42.9 | 177 | -166.7 | 63.8 | 49.7 | 0 | 0 | 111.3 | Q115 R116 M121 Q122 D123 | Q115-Q119 PolarHBondContact O-N 3.2Å; Q115-Q119 VanDerWaalsContact O-N 3.09Å; R116-Q119 PolarHBondContact O-N 3.03Å; Q119-M121 VanDerWaalsContact C-N 3.28Å; Q119-M121 PolarHBondContact O-N 3.49Å; Q119-Q122 PolarHBondContact O-N 3.05Å; Q119-D123 PolarHBondContact NE2-OD1 3.29Å; Q119-D123 PolarHBondContact O-N 3.25Å; Q119-D123 VanDerWaalsContact O-N 3.16Å |
| 120 | Q | 73.9 | Confident | 71 | Confident | 141 Ų | 141 | 130.2 Ų | 130.2 | 66% | 0.659 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -64.8 | -27.8 | 178.6 | -73.6 | -176.3 | -34.9 | 0 | 0 | 114.2 | R116 M117 | R116-Q120 WeakPolarHBondContact O-CG 3.47Å; R116-Q120 PolarHBondContact O-N 3.42Å; R116-Q120 VanDerWaalsContact O-N 3.15Å; M117-Q120 PolarHBondContact O-N 3.37Å |
| 121 | M | 69.9 | Low | 71.3 | Confident | 141 Ų | 141 | 133.3 Ų | 133.3 | 70% | 0.695 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -81.2 | -18 | 173.5 | -82.4 | -161.4 | -58.1 | 0 | 0 | 113.7 | M117 K118 Q119 | M117-M121 PolarHBondContact O-N 3.47Å; K118-M121 PolarHBondContact O-N 3.32Å; Q119-M121 VanDerWaalsContact C-N 3.28Å; Q119-M121 PolarHBondContact O-N 3.49Å |
| 122 | Q | 57.6 | Low | 71.5 | Confident | 145 Ų | 145 | 135.1 Ų | 135.1 | 68% | 0.678 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -88.9 | -20 | 175.9 | -74 | -175.3 | -32.8 | 0 | 0 | 112.7 | K118 Q119 Q124 | K118-Q122 PolarHBondContact O-N 3.23Å; Q119-Q122 PolarHBondContact O-N 3.05Å; Q122-Q124 VanDerWaalsContact C-N 3.29Å |
| 123 | D | 61.7 | Low | 70.6 | Confident | 119 Ų | 119 | 138.7 Ų | 138.7 | 64% | 0.636 | 65% | 0.649 | S | S | * | * | trans | -89.7 | 12.9 | 177.1 | -61.6 | -21.9 | 0 | 0 | 0 | 112.8 | Q119 | Q119-D123 PolarHBondContact NE2-OD1 3.29Å; Q119-D123 PolarHBondContact O-N 3.25Å; Q119-D123 VanDerWaalsContact O-N 3.16Å | ||
| 124 | Q | 47.3 | Very low | 70.1 | Confident | 226 Ų | 226 | 140.4 Ų | 140.4 | 100% | 1.056 | 66% | 0.655 | S | S | * | * | trans | -115.3 | 0 | 170.3 | -84.8 | -172.1 | -7.2 | 0 | 0 | 110.8 | Q122 | Q122-Q124 VanDerWaalsContact C-N 3.29Š|
Retrieved 124 of 124 residues in 36.1 ms
(Link to these results)