| 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 | 33.1 | Very low | 39.9 | Very low | 245 Ų | 245 | 144.8 Ų | 144.8 | 100% | 1.207 | 80% | 0.797 | S | S | * | * | 0 | 100.9 | 0 | -63.1 | 177.3 | -158.5 | 0 | 0 | 107.4 | |||||
| 2 | I | 40.4 | Very low | 40.1 | Very low | 168 Ų | 168 | 140.2 Ų | 140.2 | 86% | 0.862 | 78% | 0.778 | S | S | * | * | trans | -122.2 | 121.9 | 175.2 | -63.6 | 174.5 | 0 | 0 | 0 | 106 | N4 | I2-N4 PolarHBondContact O-N 3.18Š| ||
| 3 | C | 34.8 | Very low | 40.4 | Very low | 112 Ų | 112 | 134.2 Ų | 134.2 | 76% | 0.757 | 75% | 0.752 | S | S | * | * | trans | -56.1 | 120.1 | -173 | -168 | 0 | 0 | 0 | 0 | 110 | G5 | C3-G5 PolarHBondContact O-N 2.81Å; C3-G5 VanDerWaalsContact SG-CA 3.59Å; C3-G5 PolarHBondContact SG-N 3.18Å; C3-G5 VanDerWaalsContact SG-N 3.41Å | ||
| 4 | N | 39.2 | Very low | 40.8 | Very low | 169 Ų | 169 | 132.6 Ų | 132.6 | 90% | 0.904 | 75% | 0.747 | S | S | * | * | trans | -68.7 | 64.2 | 152.6 | -82 | -23.1 | 0 | 0 | 0 | 107.1 | I2 C6 | I2-N4 PolarHBondContact O-N 3.18Å; N4-C6 PolarHBondContact O-N 2.74Å | ||
| 5 | G | 35.6 | Very low | 41.3 | Very low | 36 Ų | 36 | 138.5 Ų | 138.5 | 37% | 0.371 | 75% | 0.752 | S | S | . | * | trans | -66.4 | 91.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 105.4 | C3 C7 | C3-G5 PolarHBondContact O-N 2.81Å; C3-G5 VanDerWaalsContact SG-CA 3.59Å; C3-G5 PolarHBondContact SG-N 3.18Å; C3-G5 VanDerWaalsContact SG-N 3.41Å; G5-C7 VanDerWaalsContact C-N 3.32Å; G5-C7 PolarHBondContact O-N 3.16Å | ||
| 6 | C | 43.5 | Very low | 41.6 | Very low | 103 Ų | 103 | 135.3 Ų | 135.3 | 70% | 0.696 | 73% | 0.734 | S | S | * | * | trans | 4.3 | 87.9 | 144.9 | 30.9 | 0 | 0 | 0 | 0 | 110.8 | N4 I8 | N4-C6 PolarHBondContact O-N 2.74Å; C6-I8 HydrophobicContact CB-CG1 4.23Å; C6-I8 PolarHBondContact O-N 3.04Å | ||
| 7 | C | 44.3 | Very low | 42 | Very low | 123 Ų | 123 | 131.4 Ų | 131.4 | 83% | 0.831 | 71% | 0.713 | S | S | * | * | trans | -63.6 | 73.4 | 155.3 | -60.6 | 0 | 0 | 0 | 0 | 104.8 | G5 L9 | G5-C7 VanDerWaalsContact C-N 3.32Å; G5-C7 PolarHBondContact O-N 3.16Å; C7-L9 PolarHBondContact O-N 2.78Å | ||
| 8 | I | 42.5 | Very low | 42.4 | Very low | 137 Ų | 137 | 136 Ų | 136 | 70% | 0.703 | 72% | 0.718 | S | S | * | * | trans | -49.9 | 101.9 | 152.5 | -63.6 | 172.3 | 0 | 0 | 0 | 100.9 | C6 T10 | C6-I8 HydrophobicContact CB-CG1 4.23Å; C6-I8 PolarHBondContact O-N 3.04Å; I8-T10 VanDerWaalsContact C-N 3.27Å; I8-T10 PolarHBondContact O-N 3.1Å | ||
| 9 | L | 40.5 | Very low | 43 | Very low | 158 Ų | 158 | 139.6 Ų | 139.6 | 83% | 0.827 | 72% | 0.721 | S | S | * | * | trans | -34.9 | 103.5 | 166 | -74.1 | 154.2 | 0 | 0 | 0 | 105.1 | C7 R11 | C7-L9 PolarHBondContact O-N 2.78Å; L9-R11 PolarHBondContact O-N 3.39Å | ||
| 10 | T | 42.8 | Very low | 43.3 | Very low | 133 Ų | 133 | 141.5 Ų | 141.5 | 82% | 0.816 | 72% | 0.72 | S | S | * | * | trans | -57.4 | 100.5 | 175.9 | -49.3 | 0 | 0 | 0 | 0 | 103 | I8 | I8-T10 VanDerWaalsContact C-N 3.27Å; I8-T10 PolarHBondContact O-N 3.1Å | ||
| 11 | R | 42.7 | Very low | 43.3 | Very low | 209 Ų | 209 | 141.7 Ų | 141.7 | 79% | 0.789 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -46.4 | 118.1 | 179.8 | 174.2 | 176.6 | 175.5 | 159.8 | -2 | 104.2 | L9 S13 | L9-R11 PolarHBondContact O-N 3.39Å; R11-S13 PolarHBondContact O-N 3.17Å |
| 12 | P | 41.7 | Very low | 44.2 | Very low | 89 Ų | 89 | 133.1 Ų | 133.1 | 58% | 0.578 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 122.4 | -173.8 | 16.6 | -28.6 | 0 | 0 | 0 | 106.4 | V14 | P12-V14 PolarHBondContact O-N 3.38Š|
| 13 | S | 44.1 | Very low | 44.7 | Very low | 62 Ų | 62 | 128.6 Ų | 128.6 | 43% | 0.434 | 67% | 0.668 | S | S | . | * | P | Polyproline II helix | trans | -54.4 | 135.5 | -177.7 | 75.7 | 0 | 0 | 0 | 0 | 106.2 | R11 R15 D16 | R11-S13 PolarHBondContact O-N 3.17Å; S13-R15 PolarHBondContact O-N 3.07Å; S13-D16 PolarHBondContact O-N 3.48Å; S13-D16 PolarHBondContact OG-OD2 3Å |
| 14 | V | 46.4 | Very low | 45.3 | Very low | 112 Ų | 112 | 127.5 Ų | 127.5 | 68% | 0.679 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -55.8 | -9.8 | -178.8 | -177.7 | 0 | 0 | 0 | 0 | 111.9 | P12 | P12-V14 PolarHBondContact O-N 3.38Å |
| 15 | R | 47.4 | Very low | 45.5 | Very low | 221 Ų | 221 | 123.9 Ų | 123.9 | 83% | 0.834 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -69.9 | -30.7 | 169.4 | -88.1 | -175.7 | 169.3 | -175 | -2.8 | 114.7 | S13 | S13-R15 PolarHBondContact O-N 3.07Å |
| 16 | D | 47.2 | Very low | 46.3 | Very low | 87 Ų | 87 | 129.1 Ų | 129.1 | 47% | 0.465 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -77.8 | -24 | -179 | -71.5 | -45.2 | 0 | 0 | 0 | 113.1 | S13 R18 R19 Y20 | S13-D16 PolarHBondContact O-N 3.48Å; S13-D16 PolarHBondContact OG-OD2 3Å; D16-R18 VanDerWaalsContact C-N 3.32Å; D16-R18 PolarHBondContact O-N 3.47Å; D16-R19 PolarHBondContact O-N 3.1Å; D16-Y20 PolarHBondContact O-N 2.78Å; D16-Y20 VanDerWaalsContact O-N 3.15Å |
| 17 | D | 48.5 | Very low | 46.4 | Very low | 69 Ų | 69 | 132.3 Ų | 132.3 | 37% | 0.369 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -58.7 | -43.6 | 175.1 | -82.3 | -38.8 | 0 | 0 | 0 | 110.7 | R19 Y20 W21 | D17-R19 VanDerWaalsContact C-N 3.29Å; D17-R19 PolarHBondContact O-N 3.26Å; D17-Y20 PolarHBondContact O-N 3.23Å; D17-W21 PolarHBondContact O-N 2.94Å |
| 18 | R | 49.3 | Very low | 46.4 | Very low | 215 Ų | 215 | 134 Ų | 134 | 81% | 0.811 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -62.6 | -33.7 | -179.4 | -83.5 | -172.4 | 177.5 | -175.6 | 0.2 | 113.6 | D16 A22 | D16-R18 VanDerWaalsContact C-N 3.32Å; D16-R18 PolarHBondContact O-N 3.47Å; R18-A22 WeakPolarHBondContact O-CB 3.33Å; R18-A22 PolarHBondContact O-N 3.22Å; R18-A22 VanDerWaalsContact O-N 3.09Å |
| 19 | R | 52.8 | Low | 46.7 | Very low | 205 Ų | 205 | 132.6 Ų | 132.6 | 77% | 0.774 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -73.9 | -38.1 | 178.8 | -125.6 | 174.9 | -175.1 | 174.9 | 0.3 | 111.6 | D16 D17 A23 | D16-R19 PolarHBondContact O-N 3.1Å; D17-R19 VanDerWaalsContact C-N 3.29Å; D17-R19 PolarHBondContact O-N 3.26Å; R19-A23 PolarHBondContact O-N 3.22Å; R19-A23 VanDerWaalsContact O-N 3.15Å |
| 20 | Y | 48.4 | Very low | 47.2 | Very low | 176 Ų | 176 | 133.8 Ų | 133.8 | 69% | 0.69 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -65.7 | -38.8 | 173.5 | -116.5 | -84 | 0 | 0 | 0 | 112.1 | D16 D17 D24 | D16-Y20 PolarHBondContact O-N 2.78Å; D16-Y20 VanDerWaalsContact O-N 3.15Å; D17-Y20 PolarHBondContact O-N 3.23Å; Y20-D24 PolarHBondContact O-N 2.86Å |
| 21 | W | 44.5 | Very low | 47.5 | Very low | 147 Ų | 147 | 133.8 Ų | 133.8 | 56% | 0.557 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -71.8 | -33.7 | -179.9 | -72.2 | 53.8 | 0 | 0 | 0 | 112.5 | D17 T25 | D17-W21 PolarHBondContact O-N 2.94Å; W21-T25 WeakPolarHBondContact O-CG2 3.48Å; W21-T25 PolarHBondContact O-N 3.15Å; W21-T25 PolarHBondContact O-OG1 2.86Å |
| 22 | A | 51.8 | Low | 47.8 | Very low | 65 Ų | 65 | 129.4 Ų | 129.4 | 54% | 0.537 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -76 | -33.1 | 178 | 0 | 0 | 0 | 0 | 0 | 113.6 | R18 T25 | R18-A22 WeakPolarHBondContact O-CB 3.33Å; R18-A22 PolarHBondContact O-N 3.22Å; R18-A22 VanDerWaalsContact O-N 3.09Å; A22-T25 PolarHBondContact O-OG1 2.99Å |
| 23 | A | 51.4 | Low | 48.1 | Very low | 73 Ų | 73 | 135.5 Ų | 135.5 | 60% | 0.603 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -75.1 | -36.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | R19 | R19-A23 PolarHBondContact O-N 3.22Å; R19-A23 VanDerWaalsContact O-N 3.15Å |
| 24 | D | 45.9 | Very low | 48.5 | Very low | 88 Ų | 88 | 141 Ų | 141 | 47% | 0.471 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -86.7 | -9.9 | -175.1 | -110.1 | -11.7 | 0 | 0 | 0 | 114.5 | Y20 I26 | Y20-D24 PolarHBondContact O-N 2.86Å; D24-I26 PolarHBondContact O-N 3.37Å |
| 25 | T | 44.7 | Very low | 48.8 | Very low | 94 Ų | 94 | 141.3 Ų | 141.3 | 58% | 0.577 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | -22.9 | 175.1 | 29.4 | 0 | 0 | 0 | 0 | 113.6 | W21 A22 | W21-T25 WeakPolarHBondContact O-CG2 3.48Å; W21-T25 PolarHBondContact O-N 3.15Å; W21-T25 PolarHBondContact O-OG1 2.86Å; A22-T25 PolarHBondContact O-OG1 2.99Å |
| 26 | I | 51.3 | Low | 48.7 | Very low | 145 Ų | 145 | 137.9 Ų | 137.9 | 74% | 0.744 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | -33.3 | -174.5 | -58.5 | 176.9 | 0 | 0 | 0 | 112.3 | D24 | D24-I26 PolarHBondContact O-N 3.37Š|
| 27 | K | 45.6 | Very low | 49 | Very low | 171 Ų | 171 | 139.8 Ų | 139.8 | 74% | 0.743 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.8 | -31.7 | -162.9 | -76.3 | -171.4 | 176 | 179.9 | 0 | 118.3 | ||
| 28 | R | 44 | Very low | 49.4 | Very low | 158 Ų | 158 | 140.4 Ų | 140.4 | 60% | 0.596 | 65% | 0.648 | S | S | * | * | trans | -151.9 | 85.9 | -170.4 | -67.1 | -172 | 176.7 | 155.2 | -5.8 | 116.5 | Q30 | R28-Q30 VanDerWaalsContact C-N 3.33Å; R28-Q30 PolarHBondContact O-N 3.48Å | ||
| 29 | P | 49 | Very low | 49.7 | Very low | 108 Ų | 108 | 137.2 Ų | 137.2 | 70% | 0.701 | 64% | 0.64 | S | S | * | * | G | 310 helix | trans | -64.3 | -31.2 | 174.1 | 23.4 | -31.9 | 0 | 0 | 0 | 114 | K31 R32 | P29-K31 VanDerWaalsContact C-N 3.34Å; P29-K31 PolarHBondContact O-N 3.39Å; P29-R32 WeakPolarHBondContact O-CB 3.31Å; P29-R32 PolarHBondContact O-N 2.82Å; P29-R32 VanDerWaalsContact O-N 3.17Å |
| 30 | Q | 51.2 | Low | 49.4 | Very low | 182 Ų | 182 | 134.4 Ų | 134.4 | 85% | 0.85 | 63% | 0.63 | S | S | * | * | G | 310 helix | trans | -67.9 | -25.5 | -173.8 | -78.4 | 179.8 | -22.3 | 0 | 0 | 114.7 | R28 R32 | R28-Q30 VanDerWaalsContact C-N 3.33Å; R28-Q30 PolarHBondContact O-N 3.48Å; Q30-R32 VanDerWaalsContact C-N 3.31Å; Q30-R32 PolarHBondContact O-N 3.3Å |
| 31 | K | 49.7 | Very low | 49.7 | Very low | 134 Ų | 134 | 128.6 Ų | 128.6 | 58% | 0.583 | 62% | 0.619 | S | S | * | * | G | 310 helix | trans | -76.4 | -15.4 | 176 | -74.7 | -167.7 | 177.6 | -170.6 | 0 | 113.3 | P29 R33 | P29-K31 VanDerWaalsContact C-N 3.34Å; P29-K31 PolarHBondContact O-N 3.39Å; K31-R33 PolarHBondContact O-N 2.96Å |
| 32 | R | 48.2 | Very low | 50.1 | Low | 117 Ų | 117 | 126.1 Ų | 126.1 | 44% | 0.442 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -65.4 | -38.7 | -178.7 | -77.4 | -172.6 | 168.3 | -172.8 | -2.5 | 113.5 | P29 Q30 K34 L35 W36 | P29-R32 WeakPolarHBondContact O-CB 3.31Å; P29-R32 PolarHBondContact O-N 2.82Å; P29-R32 VanDerWaalsContact O-N 3.17Å; Q30-R32 VanDerWaalsContact C-N 3.31Å; Q30-R32 PolarHBondContact O-N 3.3Å; R32-K34 PolarHBondContact O-N 2.92Å; R32-L35 PolarHBondContact O-N 2.85Å; R32-W36 PolarHBondContact O-N 3.19Å; R32-W36 VanDerWaalsContact O-N 3.16Å |
| 33 | R | 48.9 | Very low | 50.1 | Low | 217 Ų | 217 | 127.5 Ų | 127.5 | 82% | 0.819 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -63.5 | -39.7 | -177.4 | -95.8 | -173.3 | 175.2 | -165.3 | -0.8 | 112.8 | K31 I37 | K31-R33 PolarHBondContact O-N 2.96Å; R33-I37 WeakPolarHBondContact O-CD1 3.2Å; R33-I37 WeakPolarHBondContact O-CG1 3.08Å |
| 34 | K | 52.1 | Low | 50.3 | Low | 176 Ų | 176 | 127.3 Ų | 127.3 | 77% | 0.765 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -73.7 | -35 | -179 | -72.7 | -170.5 | 178.6 | -175.5 | 0 | 113.1 | R32 T38 | R32-K34 PolarHBondContact O-N 2.92Å; K34-T38 PolarHBondContact O-OG1 3.09Å; K34-T38 VanDerWaalsContact O-OG1 3.09Å |
| 35 | L | 53.6 | Low | 50.6 | Low | 119 Ų | 119 | 130.2 Ų | 130.2 | 62% | 0.623 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -76.5 | -30.2 | -179.5 | -86.6 | 156.5 | 0 | 0 | 0 | 113.6 | R32 T38 K39 | R32-L35 PolarHBondContact O-N 2.85Å; L35-T38 PolarHBondContact O-OG1 3.33Å; L35-K39 PolarHBondContact O-N 2.78Å |
| 36 | W | 45.2 | Very low | 50.9 | Low | 149 Ų | 149 | 130.8 Ų | 130.8 | 56% | 0.564 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -65.5 | -44.5 | 176.4 | -93 | 48.9 | 0 | 0 | 0 | 111.9 | R32 T38 K39 Y40 | R32-W36 PolarHBondContact O-N 3.19Å; R32-W36 VanDerWaalsContact O-N 3.16Å; W36-T38 VanDerWaalsContact C-N 3.34Å; W36-T38 PolarHBondContact O-N 2.85Å; W36-K39 PolarHBondContact O-N 3.05Å; W36-Y40 HydrophobicContact CE3-CE2 4.01Å; W36-Y40 HydrophobicContact CZ3-CE2 4.36Å; W36-Y40 WeakPolarHBondContact O-CD2 3.46Å; W36-Y40 PolarHBondContact O-N 3.06Å |
| 37 | I | 53.9 | Low | 50.8 | Low | 128 Ų | 128 | 131 Ų | 131 | 66% | 0.656 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -62.3 | -41.4 | -176.8 | -63 | 168.8 | 0 | 0 | 0 | 111.1 | R33 A41 | R33-I37 WeakPolarHBondContact O-CD1 3.2Å; R33-I37 WeakPolarHBondContact O-CG1 3.08Å; I37-A41 PolarHBondContact O-N 3.33Å |
| 38 | T | 56.3 | Low | 51.1 | Low | 81 Ų | 81 | 128 Ų | 128 | 50% | 0.497 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -70.6 | -33.1 | -179.8 | 27.2 | 0 | 0 | 0 | 0 | 113.6 | K34 L35 W36 N42 | K34-T38 PolarHBondContact O-OG1 3.09Å; K34-T38 VanDerWaalsContact O-OG1 3.09Å; L35-T38 PolarHBondContact O-OG1 3.33Å; W36-T38 VanDerWaalsContact C-N 3.34Å; W36-T38 PolarHBondContact O-N 2.85Å; T38-N42 PolarHBondContact O-N 3.22Å; T38-N42 PolarHBondContact O-ND2 2.85Å |
| 39 | K | 54.4 | Low | 51.4 | Low | 148 Ų | 148 | 124.9 Ų | 124.9 | 64% | 0.643 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -70.7 | -38.8 | 179.7 | -150.6 | 176.1 | -174.7 | -179.3 | 0 | 112.1 | L35 W36 N42 L43 | L35-K39 PolarHBondContact O-N 2.78Å; W36-K39 PolarHBondContact O-N 3.05Å; K39-N42 PolarHBondContact O-N 3.26Å; K39-L43 PolarHBondContact O-N 2.84Å |
| 40 | Y | 47.7 | Very low | 51.7 | Low | 146 Ų | 146 | 129.2 Ų | 129.2 | 57% | 0.573 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -70.7 | -35 | 176.2 | -78.4 | -79.3 | 0 | 0 | 0 | 113 | W36 N42 L43 A44 | W36-Y40 HydrophobicContact CE3-CE2 4.01Å; W36-Y40 HydrophobicContact CZ3-CE2 4.36Å; W36-Y40 WeakPolarHBondContact O-CD2 3.46Å; W36-Y40 PolarHBondContact O-N 3.06Å; Y40-N42 PolarHBondContact O-N 3Å; Y40-L43 HydrophobicContact CD1-CD1 4.35Å; Y40-L43 PolarHBondContact O-N 2.84Å; Y40-A44 PolarHBondContact O-N 2.92Å; Y40-A44 VanDerWaalsContact O-N 3.16Å |
| 41 | A | 54.8 | Low | 51.7 | Low | 54 Ų | 54 | 129.3 Ų | 129.3 | 45% | 0.446 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -61.8 | -30.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | I37 | I37-A41 PolarHBondContact O-N 3.33Å |
| 42 | N | 51.7 | Low | 51.9 | Low | 96 Ų | 96 | 126.4 Ų | 126.4 | 51% | 0.513 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -81.9 | -29.9 | 176.3 | -71.8 | -27 | 0 | 0 | 0 | 113.2 | T38 K39 Y40 K45 L46 | T38-N42 PolarHBondContact O-N 3.22Å; T38-N42 PolarHBondContact O-ND2 2.85Å; K39-N42 PolarHBondContact O-N 3.26Å; Y40-N42 PolarHBondContact O-N 3Å; N42-K45 PolarHBondContact O-N 3.13Å; N42-L46 PolarHBondContact O-N 3.06Å |
| 43 | L | 53.3 | Low | 52.2 | Low | 93 Ų | 93 | 124.2 Ų | 124.2 | 49% | 0.487 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -66.4 | -39.9 | 173.9 | -72.5 | 171.8 | 0 | 0 | 0 | 111.6 | K39 Y40 K45 L46 D47 | K39-L43 PolarHBondContact O-N 2.84Å; Y40-L43 HydrophobicContact CD1-CD1 4.35Å; Y40-L43 PolarHBondContact O-N 2.84Å; L43-K45 PolarHBondContact O-N 2.91Å; L43-L46 PolarHBondContact O-N 3.14Å; L43-D47 PolarHBondContact O-N 2.65Å |
| 44 | A | 54.4 | Low | 53.1 | Low | 70 Ų | 70 | 117.9 Ų | 117.9 | 58% | 0.579 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -60.8 | -26.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y40 | Y40-A44 PolarHBondContact O-N 2.92Å; Y40-A44 VanDerWaalsContact O-N 3.16Å |
| 45 | K | 52.7 | Low | 53.8 | Low | 149 Ų | 149 | 116.5 Ų | 116.5 | 65% | 0.648 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -79.2 | -32.4 | 173.8 | -67.2 | -178.5 | 179.5 | -177.1 | 0 | 112.7 | N42 L43 T48 | N42-K45 PolarHBondContact O-N 3.13Å; L43-K45 PolarHBondContact O-N 2.91Å; K45-T48 PolarHBondContact O-N 3.14Å; K45-T48 PolarHBondContact O-OG1 2.94Å |
| 46 | L | 50.9 | Low | 54.2 | Low | 106 Ų | 106 | 116.1 Ų | 116.1 | 56% | 0.555 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -73.6 | -27 | 179.2 | -82.1 | 159.9 | 0 | 0 | 0 | 113.3 | N42 L43 T48 T49 | N42-L46 PolarHBondContact O-N 3.06Å; L43-L46 PolarHBondContact O-N 3.14Å; L46-T48 PolarHBondContact O-N 3.41Å; L46-T48 VanDerWaalsContact O-N 3.08Å; L46-T49 PolarHBondContact O-N 3.26Å; L46-T49 PolarHBondContact O-OG1 3.39Å |
| 47 | D | 49.7 | Very low | 55.4 | Low | 150 Ų | 150 | 114.6 Ų | 114.6 | 80% | 0.802 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | -11.6 | 174.7 | -88.3 | -27.1 | 0 | 0 | 0 | 113.5 | L43 T49 | L43-D47 PolarHBondContact O-N 2.65Å; D47-T49 VanDerWaalsContact C-N 3.34Å |
| 48 | T | 50.5 | Low | 56.2 | Low | 106 Ų | 106 | 116.1 Ų | 116.1 | 65% | 0.65 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -13.9 | 172.7 | 67.7 | 0 | 0 | 0 | 0 | 113.5 | K45 L46 K50 | K45-T48 PolarHBondContact O-N 3.14Å; K45-T48 PolarHBondContact O-OG1 2.94Å; L46-T48 PolarHBondContact O-N 3.41Å; L46-T48 VanDerWaalsContact O-N 3.08Å; T48-K50 VanDerWaalsContact C-N 3.26Å; T48-K50 PolarHBondContact O-N 3.12Å |
| 49 | T | 50.5 | Low | 57 | Low | 93 Ų | 93 | 116.9 Ų | 116.9 | 57% | 0.571 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -81 | 76.3 | 176.3 | 52.8 | 0 | 0 | 0 | 0 | 110.8 | L46 D47 H51 | L46-T49 PolarHBondContact O-N 3.26Å; L46-T49 PolarHBondContact O-OG1 3.39Å; D47-T49 VanDerWaalsContact C-N 3.34Å; T49-H51 PolarHBondContact O-N 3.11Å |
| 50 | K | 56 | Low | 57.7 | Low | 200 Ų | 200 | 116.2 Ų | 116.2 | 87% | 0.87 | 60% | 0.599 | S | S | * | * | S | Bend | trans | 31.4 | 6.6 | 142.7 | -62.7 | -172.6 | -179.5 | -177.9 | 0 | 122.2 | T48 S52 | T48-K50 VanDerWaalsContact C-N 3.26Å; T48-K50 PolarHBondContact O-N 3.12Å; K50-S52 VanDerWaalsContact C-N 3.32Å; K50-S52 PolarHBondContact O-N 3.35Å |
| 51 | H | 51.5 | Low | 58.9 | Low | 184 Ų | 184 | 112 Ų | 112 | 85% | 0.852 | 60% | 0.595 | S | S | * | * | trans | -91.3 | 79.4 | 162.4 | -90.9 | 56.5 | 0 | 0 | 0 | 106.3 | T49 N53 | T49-H51 PolarHBondContact O-N 3.11Å; H51-N53 VanDerWaalsContact C-N 3.33Å; H51-N53 PolarHBondContact O-N 3.19Å | ||
| 52 | S | 52.7 | Low | 59.8 | Low | 73 Ų | 73 | 114.4 Ų | 114.4 | 51% | 0.51 | 60% | 0.597 | S | S | . | * | trans | -56 | 108.8 | 160.1 | 47.8 | 0 | 0 | 0 | 0 | 106 | K50 P54 E57 | K50-S52 VanDerWaalsContact C-N 3.32Å; K50-S52 PolarHBondContact O-N 3.35Å; S52-P54 WeakPolarHBondContact O-CD 3.33Å; S52-P54 VanDerWaalsContact O-N 3.09Å; S52-E57 WeakPolarHBondContact CB-OE1 3.45Å; S52-E57 PolarHBondContact OG-OE1 2.78Å | ||
| 53 | N | 56.5 | Low | 60.3 | Low | 71 Ų | 71 | 114.1 Ų | 114.1 | 38% | 0.38 | 59% | 0.594 | S | S | . | * | trans | -56.9 | 119.8 | 176.6 | 178.5 | -8.1 | 0 | 0 | 0 | 106.6 | H51 E55 L56 E57 | H51-N53 VanDerWaalsContact C-N 3.33Å; H51-N53 PolarHBondContact O-N 3.19Å; N53-E55 PolarHBondContact O-N 3.18Å; N53-E55 WeakPolarHBondContact OD1-CB 3.45Å; N53-E55 PolarHBondContact OD1-N 3.03Å; N53-L56 HydrophobicContact CB-CB 4.24Å; N53-L56 HydrophobicContact CB-CD1 4.21Å; N53-L56 WeakPolarHBondContact O-CA 3.42Å; N53-L56 WeakPolarHBondContact O-CB 3.28Å; N53-L56 PolarHBondContact O-N 2.77Å; N53-E57 PolarHBondContact O-N 3.44Å | ||
| 54 | P | 67.6 | Low | 60.9 | Low | 84 Ų | 84 | 114.9 Ų | 114.9 | 55% | 0.545 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -59.7 | -23.2 | -177.7 | 23.1 | -33.9 | 0 | 0 | 0 | 111.9 | S52 K58 | S52-P54 WeakPolarHBondContact O-CD 3.33Å; S52-P54 VanDerWaalsContact O-N 3.09Å; P54-K58 WeakPolarHBondContact O-CB 3.33Å; P54-K58 VanDerWaalsContact O-CG 3.29Å; P54-K58 WeakPolarHBondContact O-CG 3.45Å; P54-K58 PolarHBondContact O-N 3.02Å; P54-K58 VanDerWaalsContact O-N 3.09Å |
| 55 | E | 66.9 | Low | 61.5 | Low | 146 Ų | 146 | 118.5 Ų | 118.5 | 68% | 0.682 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -68.3 | -36 | 172.4 | -59.1 | -166.3 | 117.9 | 0 | 0 | 112.5 | N53 L59 | N53-E55 PolarHBondContact O-N 3.18Å; N53-E55 WeakPolarHBondContact OD1-CB 3.45Å; N53-E55 PolarHBondContact OD1-N 3.03Å; E55-L59 WeakPolarHBondContact O-CB 3.25Å; E55-L59 PolarHBondContact O-N 3.08Å |
| 56 | L | 60.9 | Low | 61.9 | Low | 112 Ų | 112 | 117.2 Ų | 117.2 | 59% | 0.586 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -70.8 | -39.3 | 175.9 | -96 | 164.9 | 0 | 0 | 0 | 111.9 | N53 L59 K60 | N53-L56 HydrophobicContact CB-CB 4.24Å; N53-L56 HydrophobicContact CB-CD1 4.21Å; N53-L56 WeakPolarHBondContact O-CA 3.42Å; N53-L56 WeakPolarHBondContact O-CB 3.28Å; N53-L56 PolarHBondContact O-N 2.77Å; L56-L59 PolarHBondContact O-N 3.44Å; L56-K60 WeakPolarHBondContact O-CB 3.35Å; L56-K60 PolarHBondContact O-N 3.07Å |
| 57 | E | 69.8 | Low | 62.1 | Low | 116 Ų | 116 | 116.3 Ų | 116.3 | 54% | 0.542 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -65.1 | -41.8 | 174.9 | -74.1 | -171.9 | 179.1 | 0 | 0 | 111.6 | S52 N53 L59 K60 A61 | S52-E57 WeakPolarHBondContact CB-OE1 3.45Å; S52-E57 PolarHBondContact OG-OE1 2.78Å; N53-E57 PolarHBondContact O-N 3.44Å; E57-L59 VanDerWaalsContact C-N 3.35Å; E57-L59 PolarHBondContact O-N 2.76Å; E57-K60 PolarHBondContact O-N 3.25Å; E57-A61 WeakPolarHBondContact O-CB 3.48Å; E57-A61 PolarHBondContact O-N 3.28Å |
| 58 | K | 71.7 | Confident | 62.2 | Low | 160 Ų | 160 | 114 Ų | 114 | 70% | 0.696 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -61.1 | -42.5 | 172.1 | -74.3 | 175.3 | -176.4 | 178.7 | 0 | 111.9 | P54 H62 | P54-K58 WeakPolarHBondContact O-CB 3.33Å; P54-K58 VanDerWaalsContact O-CG 3.29Å; P54-K58 WeakPolarHBondContact O-CG 3.45Å; P54-K58 PolarHBondContact O-N 3.02Å; P54-K58 VanDerWaalsContact O-N 3.09Å; K58-H62 WeakPolarHBondContact O-CB 3.29Å; K58-H62 PolarHBondContact O-N 3.13Å |
| 59 | L | 72.9 | Confident | 62.3 | Low | 98 Ų | 98 | 116.7 Ų | 116.7 | 51% | 0.513 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -67.4 | -41.6 | 179.1 | -168.7 | 71.4 | 0 | 0 | 0 | 111.3 | E55 L56 E57 H62 L63 | E55-L59 WeakPolarHBondContact O-CB 3.25Å; E55-L59 PolarHBondContact O-N 3.08Å; L56-L59 PolarHBondContact O-N 3.44Å; E57-L59 VanDerWaalsContact C-N 3.35Å; E57-L59 PolarHBondContact O-N 2.76Å; L59-H62 PolarHBondContact O-N 2.91Å; L59-L63 HydrophobicContact CG-CD1 4.3Å; L59-L63 WeakPolarHBondContact O-CB 3.48Å; L59-L63 WeakPolarHBondContact O-CG 3.33Å; L59-L63 PolarHBondContact O-N 3.45Å |
| 60 | K | 69 | Low | 62.4 | Low | 133 Ų | 133 | 119.8 Ų | 119.8 | 58% | 0.578 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -61.6 | -46.6 | 176.1 | -170.6 | -179.1 | 176.8 | -170 | 0 | 111.3 | L56 E57 H62 L63 E64 | L56-K60 WeakPolarHBondContact O-CB 3.35Å; L56-K60 PolarHBondContact O-N 3.07Å; E57-K60 PolarHBondContact O-N 3.25Å; K60-H62 VanDerWaalsContact C-N 3.29Å; K60-H62 PolarHBondContact O-N 3.11Å; K60-L63 PolarHBondContact O-N 2.98Å; K60-E64 VanDerWaalsContact CE-OE1 3.25Å; K60-E64 WeakPolarHBondContact CE-OE1 3.18Å; K60-E64 WeakPolarHBondContact O-CG 3.38Å; K60-E64 PolarHBondContact O-N 3.28Å |
| 61 | A | 74 | Confident | 62.1 | Low | 59 Ų | 59 | 116.3 Ų | 116.3 | 49% | 0.488 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -61.4 | -37.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | E57 K65 | E57-A61 WeakPolarHBondContact O-CB 3.48Å; E57-A61 PolarHBondContact O-N 3.28Å; A61-K65 WeakPolarHBondContact O-CB 3.34Å; A61-K65 PolarHBondContact O-N 3.09Å; A61-K65 VanDerWaalsContact O-N 3.1Å |
| 62 | H | 73.5 | Confident | 61.8 | Low | 104 Ų | 104 | 113.1 Ų | 113.1 | 48% | 0.481 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -69 | -39.6 | 176.2 | -161.5 | 88 | 0 | 0 | 0 | 112.4 | K58 L59 K60 K65 K66 | K58-H62 WeakPolarHBondContact O-CB 3.29Å; K58-H62 PolarHBondContact O-N 3.13Å; L59-H62 PolarHBondContact O-N 2.91Å; K60-H62 VanDerWaalsContact C-N 3.29Å; K60-H62 PolarHBondContact O-N 3.11Å; H62-K65 PolarHBondContact O-N 3.29Å; H62-K66 WeakPolarHBondContact NE2-CE 3.22Å; H62-K66 PolarHBondContact NE2-NZ 3.36Å; H62-K66 PolarHBondContact O-N 2.95Å |
| 63 | L | 62.3 | Low | 61.4 | Low | 89 Ų | 89 | 118 Ų | 118 | 47% | 0.466 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -68.5 | -39.9 | 175.6 | -72.5 | 173.2 | 0 | 0 | 0 | 111.9 | L59 K60 K65 K66 N67 | L59-L63 HydrophobicContact CG-CD1 4.3Å; L59-L63 WeakPolarHBondContact O-CB 3.48Å; L59-L63 WeakPolarHBondContact O-CG 3.33Å; L59-L63 PolarHBondContact O-N 3.45Å; K60-L63 PolarHBondContact O-N 2.98Å; L63-K65 VanDerWaalsContact C-N 3.33Å; L63-K65 PolarHBondContact O-N 2.93Å; L63-K66 PolarHBondContact O-N 3.22Å; L63-N67 VanDerWaalsContact O-CB 3.28Å; L63-N67 WeakPolarHBondContact O-CB 3.31Å; L63-N67 PolarHBondContact O-N 3.25Å |
| 64 | E | 65.3 | Low | 60.9 | Low | 109 Ų | 109 | 122.3 Ų | 122.3 | 51% | 0.509 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -63.6 | -38.5 | 174.8 | -75.5 | 176.1 | -175.9 | 0 | 0 | 111.7 | K60 T68 | K60-E64 VanDerWaalsContact CE-OE1 3.25Å; K60-E64 WeakPolarHBondContact CE-OE1 3.18Å; K60-E64 WeakPolarHBondContact O-CG 3.38Å; K60-E64 PolarHBondContact O-N 3.28Å; E64-T68 WeakPolarHBondContact O-CB 3.4Å; E64-T68 WeakPolarHBondContact O-CG2 3.47Å; E64-T68 PolarHBondContact O-N 3.21Å; E64-T68 PolarHBondContact O-OG1 3.46Å |
| 65 | K | 67.7 | Low | 59.7 | Low | 147 Ų | 147 | 123.3 Ų | 123.3 | 64% | 0.639 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -69.2 | -31.7 | 175.1 | -169.5 | 174.5 | -176.3 | 175.9 | 0 | 113.4 | A61 H62 L63 T68 | A61-K65 WeakPolarHBondContact O-CB 3.34Å; A61-K65 PolarHBondContact O-N 3.09Å; A61-K65 VanDerWaalsContact O-N 3.1Å; H62-K65 PolarHBondContact O-N 3.29Å; L63-K65 VanDerWaalsContact C-N 3.33Å; L63-K65 PolarHBondContact O-N 2.93Å; K65-T68 PolarHBondContact O-OG1 3.23Å |
| 66 | K | 59.6 | Low | 59 | Low | 121 Ų | 121 | 126.2 Ų | 126.2 | 53% | 0.526 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -79.1 | -46.4 | 175.6 | -79.5 | -173.8 | 170.5 | 174.7 | 0 | 111.8 | H62 L63 T68 K69 E70 | H62-K66 WeakPolarHBondContact NE2-CE 3.22Å; H62-K66 PolarHBondContact NE2-NZ 3.36Å; H62-K66 PolarHBondContact O-N 2.95Å; L63-K66 PolarHBondContact O-N 3.22Å; K66-T68 VanDerWaalsContact C-N 3.33Å; K66-T68 PolarHBondContact O-N 3.32Å; K66-K69 PolarHBondContact O-N 3.39Å; K66-K69 VanDerWaalsContact O-N 3.1Å; K66-E70 PolarHBondContact O-N 3.16Å; K66-E70 VanDerWaalsContact O-N 3.16Å |
| 67 | N | 55 | Low | 58.3 | Low | 88 Ų | 88 | 128.1 Ų | 128.1 | 47% | 0.471 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -61.1 | -39.7 | 177.3 | -85.2 | -24.1 | 0 | 0 | 0 | 111.7 | L63 K69 E70 I71 | L63-N67 VanDerWaalsContact O-CB 3.28Å; L63-N67 WeakPolarHBondContact O-CB 3.31Å; L63-N67 PolarHBondContact O-N 3.25Å; N67-K69 PolarHBondContact O-N 3.29Å; N67-K69 VanDerWaalsContact O-N 3.17Å; N67-E70 CarbonylContact O-C 3.5Å; N67-E70 PolarHBondContact O-N 3.27Å; N67-I71 HydrophobicContact CB-CD1 4.14Å; N67-I71 WeakPolarHBondContact O-CB 3.45Å; N67-I71 VanDerWaalsContact O-CD1 3.31Å; N67-I71 WeakPolarHBondContact O-CD1 3.48Å; N67-I71 WeakPolarHBondContact O-CG1 3.42Å; N67-I71 PolarHBondContact O-N 3.41Å |
| 68 | T | 53.3 | Low | 57.1 | Low | 102 Ų | 102 | 133.7 Ų | 133.7 | 63% | 0.626 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -62.5 | -24.7 | 177.2 | 43.5 | 0 | 0 | 0 | 0 | 113.8 | E64 K65 K66 | E64-T68 WeakPolarHBondContact O-CB 3.4Å; E64-T68 WeakPolarHBondContact O-CG2 3.47Å; E64-T68 PolarHBondContact O-N 3.21Å; E64-T68 PolarHBondContact O-OG1 3.46Å; K65-T68 PolarHBondContact O-OG1 3.23Å; K66-T68 VanDerWaalsContact C-N 3.33Å; K66-T68 PolarHBondContact O-N 3.32Å |
| 69 | K | 52.5 | Low | 55.8 | Low | 162 Ų | 162 | 135.5 Ų | 135.5 | 70% | 0.704 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -83.4 | -27.2 | 172.8 | -67.8 | -173.5 | 171.4 | -170.1 | 0 | 113.3 | K66 N67 | K66-K69 PolarHBondContact O-N 3.39Å; K66-K69 VanDerWaalsContact O-N 3.1Å; N67-K69 PolarHBondContact O-N 3.29Å; N67-K69 VanDerWaalsContact O-N 3.17Å |
| 70 | E | 52.1 | Low | 54.8 | Low | 157 Ų | 157 | 135.3 Ų | 135.3 | 73% | 0.734 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -99.7 | -6.1 | 179.7 | -74.8 | -175 | 166.3 | 0 | 0 | 114.5 | K66 N67 V72 | K66-E70 PolarHBondContact O-N 3.16Å; K66-E70 VanDerWaalsContact O-N 3.16Å; N67-E70 CarbonylContact O-C 3.5Å; N67-E70 PolarHBondContact O-N 3.27Å; E70-V72 PolarHBondContact O-N 3.23Å |
| 71 | I | 48.6 | Very low | 53.8 | Low | 127 Ų | 127 | 137.4 Ų | 137.4 | 65% | 0.651 | 69% | 0.686 | S | S | * | * | trans | -74.3 | 46.4 | 163.3 | -58.4 | 154.5 | 0 | 0 | 0 | 108.7 | N67 Q73 | N67-I71 HydrophobicContact CB-CD1 4.14Å; N67-I71 WeakPolarHBondContact O-CB 3.45Å; N67-I71 VanDerWaalsContact O-CD1 3.31Å; N67-I71 WeakPolarHBondContact O-CD1 3.48Å; N67-I71 WeakPolarHBondContact O-CG1 3.42Å; N67-I71 PolarHBondContact O-N 3.41Å; I71-Q73 VanDerWaalsContact C-N 3.29Å; I71-Q73 PolarHBondContact O-N 3.38Å | ||
| 72 | V | 46.3 | Very low | 52.7 | Low | 118 Ų | 118 | 143.9 Ų | 143.9 | 72% | 0.715 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -73.5 | 95.8 | 151 | 178.9 | 0 | 0 | 0 | 0 | 104.6 | E70 L74 | E70-V72 PolarHBondContact O-N 3.23Å; V72-L74 PolarHBondContact O-N 2.83Å |
| 73 | Q | 43.9 | Very low | 51.5 | Low | 175 Ų | 175 | 144.2 Ų | 144.2 | 82% | 0.818 | 71% | 0.713 | S | S | * | * | trans | 11.5 | 92.2 | 164.1 | -75.1 | 168.4 | -16.5 | 0 | 0 | 115.5 | I71 P75 | I71-Q73 VanDerWaalsContact C-N 3.29Å; I71-Q73 PolarHBondContact O-N 3.38Å; Q73-P75 WeakPolarHBondContact O-CD 3.41Å | ||
| 74 | L | 46.7 | Very low | 51.1 | Low | 161 Ų | 161 | 146.3 Ų | 146.3 | 84% | 0.843 | 73% | 0.73 | S | S | * | * | trans | -58.2 | 118.3 | 155.1 | -89.8 | 143.9 | 0 | 0 | 0 | 107.7 | V72 K76 | V72-L74 PolarHBondContact O-N 2.83Å; L74-K76 PolarHBondContact O-N 3.22Å; L74-K76 VanDerWaalsContact O-N 3.15Å | ||
| 75 | P | 42.8 | Very low | 50.9 | Low | 105 Ų | 105 | 151.6 Ų | 151.6 | 68% | 0.682 | 75% | 0.745 | S | S | * | * | trans | -64.3 | 119.9 | -177.6 | 23.7 | -31.1 | 0 | 0 | 0 | 108.9 | Q73 D77 | Q73-P75 WeakPolarHBondContact O-CD 3.41Å; P75-D77 PolarHBondContact O-N 3.23Å | ||
| 76 | K | 51.9 | Low | 50.6 | Low | 207 Ų | 207 | 149.9 Ų | 149.9 | 90% | 0.9 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -66.2 | 4.6 | -174.2 | -74.3 | -176.9 | 175.4 | 179.7 | 0 | 114.9 | L74 | L74-K76 PolarHBondContact O-N 3.22Å; L74-K76 VanDerWaalsContact O-N 3.15Å |
| 77 | D | 46.2 | Very low | 50.9 | Low | 152 Ų | 152 | 147.7 Ų | 147.7 | 81% | 0.813 | 74% | 0.743 | S | S | * | * | trans | -118.8 | 38 | -168 | -72 | -48.1 | 0 | 0 | 0 | 115.9 | P75 | P75-D77 PolarHBondContact O-N 3.23Š| ||
| 78 | R | 43.4 | Very low | 51.6 | Low | 233 Ų | 233 | 145.3 Ų | 145.3 | 88% | 0.879 | 74% | 0.739 | S | S | * | * | trans | -106.3 | 87.6 | 158.3 | -68.5 | -163.9 | -173.9 | -170 | 4.3 | 110.5 | A80 | R78-A80 PolarHBondContact O-N 2.95Š| ||
| 79 | K | 45.5 | Very low | 52.5 | Low | 198 Ų | 198 | 148.5 Ų | 148.5 | 86% | 0.861 | 75% | 0.747 | S | S | * | * | trans | -41.4 | 123.3 | 157.1 | -70.2 | -179.6 | 178.3 | 177.7 | 0 | 107.5 | Q81 | K79-Q81 PolarHBondContact O-N 2.67Š| ||
| 80 | A | 50.3 | Low | 53.1 | Low | 95 Ų | 95 | 151 Ų | 151 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | trans | -50.8 | 99.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | R78 K82 | R78-A80 PolarHBondContact O-N 2.95Å; A80-K82 VanDerWaalsContact C-N 3.26Å; A80-K82 PolarHBondContact O-N 2.8Å | ||
| 81 | Q | 48 | Very low | 53.9 | Low | 176 Ų | 176 | 148.2 Ų | 148.2 | 82% | 0.822 | 74% | 0.739 | S | S | * | * | trans | -63.8 | 96.4 | 168.4 | -90 | -179.9 | -5.7 | 0 | 0 | 106.1 | K79 T83 | K79-Q81 PolarHBondContact O-N 2.67Å; Q81-T83 PolarHBondContact O-N 2.74Å | ||
| 82 | K | 52 | Low | 55 | Low | 195 Ų | 195 | 148.7 Ų | 148.7 | 85% | 0.848 | 73% | 0.732 | S | S | * | * | trans | -61.1 | 91.5 | 161.9 | -78.2 | -178.2 | 176.8 | 179.5 | 0 | 106.4 | A80 T84 | A80-K82 VanDerWaalsContact C-N 3.26Å; A80-K82 PolarHBondContact O-N 2.8Å; K82-T84 VanDerWaalsContact C-N 3.31Å; K82-T84 PolarHBondContact O-N 2.67Å | ||
| 83 | T | 49 | Very low | 56.2 | Low | 112 Ų | 112 | 146.6 Ų | 146.6 | 69% | 0.687 | 72% | 0.72 | S | S | * | * | trans | -71.5 | 93.2 | 168.6 | 41.5 | 0 | 0 | 0 | 0 | 106.8 | Q81 R85 | Q81-T83 PolarHBondContact O-N 2.74Å; T83-R85 PolarHBondContact O-N 2.82Å | ||
| 84 | T | 52.2 | Low | 57.4 | Low | 133 Ų | 133 | 143.1 Ų | 143.1 | 82% | 0.816 | 71% | 0.706 | S | S | * | * | trans | -69.5 | 76.7 | 164.7 | 39 | 0 | 0 | 0 | 0 | 108 | K82 | K82-T84 VanDerWaalsContact C-N 3.31Å; K82-T84 PolarHBondContact O-N 2.67Å | ||
| 85 | R | 62.4 | Low | 58.2 | Low | 219 Ų | 219 | 140.9 Ų | 140.9 | 83% | 0.826 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 132 | 162.4 | -92.3 | -179.6 | 148.8 | 166.7 | -6.2 | 107.5 | T83 L87 | T83-R85 PolarHBondContact O-N 2.82Å; R85-L87 PolarHBondContact O-N 3.41Å |
| 86 | P | 60.9 | Low | 59.6 | Low | 111 Ų | 111 | 144.1 Ų | 144.1 | 72% | 0.721 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 126.6 | 175.6 | 25.1 | -32 | 0 | 0 | 0 | 109 | G88 | P86-G88 PolarHBondContact O-N 3.05Š|
| 87 | L | 65.6 | Low | 60.4 | Low | 75 Ų | 75 | 138.5 Ų | 138.5 | 39% | 0.393 | 67% | 0.674 | S | S | . | * | P | Polyproline II helix | trans | -55.8 | 128.3 | 179.3 | -69.2 | 166.3 | 0 | 0 | 0 | 109.9 | R85 E91 R92 M95 | R85-L87 PolarHBondContact O-N 3.41Å; L87-E91 WeakPolarHBondContact CA-OE2 3.4Å; L87-E91 HydrophobicContact CB-CB 4.05Å; L87-E91 HydrophobicContact CD2-CB 3.84Å; L87-E91 HydrophobicContact CD2-CG 4.33Å; L87-E91 VanDerWaalsContact CD2-OE2 3.31Å; L87-E91 WeakPolarHBondContact CD2-OE2 3.35Å; L87-E91 HydrophobicContact CG-CB 4.46Å; L87-R92 HydrophobicContact CB-CG 4.19Å; L87-R92 PolarHBondContact O-NE 2.97Å; L87-R92 VanDerWaalsContact O-NE 3.13Å; L87-M95 HydrophobicContact CD1-CE 4.05Å |
| 88 | G | 70.7 | Confident | 61.7 | Low | 38 Ų | 38 | 135.2 Ų | 135.2 | 39% | 0.392 | 66% | 0.656 | S | S | . | * | P | Polyproline II helix | trans | -62.9 | 158.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111 | P86 R90 E91 R92 | P86-G88 PolarHBondContact O-N 3.05Å; G88-R90 PolarHBondContact O-N 3Å; G88-E91 PolarHBondContact N-OE2 3.17Å; G88-E91 PolarHBondContact O-N 3.43Å; G88-R92 PolarHBondContact O-N 3.28Å; G88-R92 VanDerWaalsContact O-N 3.14Å |
| 89 | E | 72.3 | Confident | 63.4 | Low | 170 Ų | 170 | 130.1 Ų | 130.1 | 79% | 0.794 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -53.7 | -34.5 | -175.8 | -165.2 | 168.2 | -158.8 | 0 | 0 | 112.7 | R92 T93 | E89-R92 PolarHBondContact O-N 3.47Å; E89-T93 PolarHBondContact O-N 3.31Å; E89-T93 VanDerWaalsContact O-N 3.12Å; E89-T93 PolarHBondContact O-OG1 3.26Å |
| 90 | R | 65.5 | Low | 64.9 | Low | 214 Ų | 214 | 129.9 Ų | 129.9 | 81% | 0.808 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -66.3 | -38.7 | 176.5 | -154.3 | 173.7 | -177.2 | -174.3 | 0.6 | 113.5 | G88 T93 I94 | G88-R90 PolarHBondContact O-N 3Å; R90-T93 PolarHBondContact O-N 3.17Å; R90-I94 WeakPolarHBondContact O-CG1 3.4Å; R90-I94 PolarHBondContact O-N 3.43Å |
| 91 | E | 67.3 | Low | 66.4 | Low | 98 Ų | 98 | 129.7 Ų | 129.7 | 46% | 0.458 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -72.3 | -33.6 | 177.4 | -64.7 | 171.9 | 138.6 | 0 | 0 | 111.3 | L87 G88 T93 I94 M95 | L87-E91 WeakPolarHBondContact CA-OE2 3.4Å; L87-E91 HydrophobicContact CB-CB 4.05Å; L87-E91 HydrophobicContact CD2-CB 3.84Å; L87-E91 HydrophobicContact CD2-CG 4.33Å; L87-E91 VanDerWaalsContact CD2-OE2 3.31Å; L87-E91 WeakPolarHBondContact CD2-OE2 3.35Å; L87-E91 HydrophobicContact CG-CB 4.46Å; G88-E91 PolarHBondContact N-OE2 3.17Å; G88-E91 PolarHBondContact O-N 3.43Å; E91-T93 VanDerWaalsContact C-N 3.34Å; E91-I94 PolarHBondContact O-N 3.45Å; E91-M95 WeakPolarHBondContact O-CG 3.43Å; E91-M95 PolarHBondContact O-N 2.89Å; E91-M95 VanDerWaalsContact O-N 3.11Å |
| 92 | R | 72.4 | Confident | 67.9 | Low | 138 Ų | 138 | 125.8 Ų | 125.8 | 52% | 0.521 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -63.6 | -39.2 | 172.5 | -62 | -177.2 | -169.4 | -166.2 | -0.8 | 111.9 | L87 G88 E89 M95 R96 | L87-R92 HydrophobicContact CB-CG 4.19Å; L87-R92 PolarHBondContact O-NE 2.97Å; L87-R92 VanDerWaalsContact O-NE 3.13Å; G88-R92 PolarHBondContact O-N 3.28Å; G88-R92 VanDerWaalsContact O-N 3.14Å; E89-R92 PolarHBondContact O-N 3.47Å; R92-M95 PolarHBondContact O-N 3.45Å; R92-R96 WeakPolarHBondContact O-CG 3.24Å; R92-R96 PolarHBondContact O-N 3.49Å; R92-R96 VanDerWaalsContact O-N 3.11Å |
| 93 | T | 71 | Confident | 69.1 | Low | 74 Ų | 74 | 122.8 Ų | 122.8 | 45% | 0.454 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -64.9 | -40.4 | 176.7 | -57.5 | 0 | 0 | 0 | 0 | 111.7 | E89 R90 E91 R96 V97 | E89-T93 PolarHBondContact O-N 3.31Å; E89-T93 VanDerWaalsContact O-N 3.12Å; E89-T93 PolarHBondContact O-OG1 3.26Å; R90-T93 PolarHBondContact O-N 3.17Å; E91-T93 VanDerWaalsContact C-N 3.34Å; T93-R96 PolarHBondContact O-N 3.27Å; T93-V97 WeakPolarHBondContact O-CG2 3.42Å; T93-V97 PolarHBondContact O-N 2.93Å; T93-V97 VanDerWaalsContact O-N 3.07Å |
| 94 | I | 69.5 | Low | 70.4 | Confident | 101 Ų | 101 | 124 Ų | 124 | 52% | 0.518 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -61.5 | -47.7 | 176.4 | -64.6 | 166.3 | 0 | 0 | 0 | 110.6 | R90 E91 R96 V97 D98 | R90-I94 WeakPolarHBondContact O-CG1 3.4Å; R90-I94 PolarHBondContact O-N 3.43Å; E91-I94 PolarHBondContact O-N 3.45Å; I94-R96 VanDerWaalsContact C-N 3.29Å; I94-R96 PolarHBondContact O-N 3.42Å; I94-V97 PolarHBondContact O-N 3.15Å; I94-V97 VanDerWaalsContact O-N 3.13Å; I94-D98 PolarHBondContact O-N 3.16Å |
| 95 | M | 64.1 | Low | 71.6 | Confident | 114 Ų | 114 | 123.5 Ų | 123.5 | 56% | 0.562 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -57.5 | -38.2 | 176 | -72.9 | -87 | -154.9 | 0 | 0 | 112.9 | L87 E91 R92 Q99 | L87-M95 HydrophobicContact CD1-CE 4.05Å; E91-M95 WeakPolarHBondContact O-CG 3.43Å; E91-M95 PolarHBondContact O-N 2.89Å; E91-M95 VanDerWaalsContact O-N 3.11Å; R92-M95 PolarHBondContact O-N 3.45Å; M95-Q99 WeakPolarHBondContact O-CB 3.4Å; M95-Q99 PolarHBondContact O-N 3.09Å |
| 96 | R | 70.8 | Confident | 72.3 | Confident | 173 Ų | 173 | 122.7 Ų | 122.7 | 65% | 0.653 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -68.4 | -38.5 | 176.7 | -71 | -177.5 | -160 | 173.7 | 6.1 | 112.7 | R92 T93 I94 Q99 R100 | R92-R96 WeakPolarHBondContact O-CG 3.24Å; R92-R96 PolarHBondContact O-N 3.49Å; R92-R96 VanDerWaalsContact O-N 3.11Å; T93-R96 PolarHBondContact O-N 3.27Å; I94-R96 VanDerWaalsContact C-N 3.29Å; I94-R96 PolarHBondContact O-N 3.42Å; R96-Q99 PolarHBondContact O-N 3.48Å; R96-R100 PolarHBondContact O-N 3.28Å |
| 97 | V | 70.4 | Confident | 72.6 | Confident | 89 Ų | 89 | 123 Ų | 123 | 54% | 0.539 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -64.5 | -45.4 | 176.5 | 174.2 | 0 | 0 | 0 | 0 | 109.8 | T93 I94 Q99 R100 L101 | T93-V97 WeakPolarHBondContact O-CG2 3.42Å; T93-V97 PolarHBondContact O-N 2.93Å; T93-V97 VanDerWaalsContact O-N 3.07Å; I94-V97 PolarHBondContact O-N 3.15Å; I94-V97 VanDerWaalsContact O-N 3.13Å; V97-Q99 VanDerWaalsContact C-N 3.34Å; V97-Q99 PolarHBondContact O-N 3.41Å; V97-R100 PolarHBondContact O-N 3.12Å; V97-L101 PolarHBondContact O-N 3.15Å |
| 98 | D | 73.2 | Confident | 73 | Confident | 84 Ų | 84 | 125.5 Ų | 125.5 | 45% | 0.449 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -61.4 | -42.2 | 176.1 | -75.6 | -18.4 | 0 | 0 | 0 | 111.6 | I94 R100 L101 I102 | I94-D98 PolarHBondContact O-N 3.16Å; D98-R100 PolarHBondContact O-N 3.33Å; D98-L101 WeakPolarHBondContact O-CB 3.44Å; D98-L101 PolarHBondContact O-N 3.29Å; D98-L101 VanDerWaalsContact O-N 3.17Å; D98-I102 VanDerWaalsContact O-CG1 3.24Å; D98-I102 WeakPolarHBondContact O-CG1 3.49Å; D98-I102 PolarHBondContact O-N 3.38Å |
| 99 | Q | 78.4 | Confident | 73.1 | Confident | 126 Ų | 126 | 130.1 Ų | 130.1 | 59% | 0.589 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -65.3 | -36.7 | 178.6 | -165 | 164.1 | 17.4 | 0 | 0 | 112.9 | M95 R96 V97 I102 Q103 | M95-Q99 WeakPolarHBondContact O-CB 3.4Å; M95-Q99 PolarHBondContact O-N 3.09Å; R96-Q99 PolarHBondContact O-N 3.48Å; V97-Q99 VanDerWaalsContact C-N 3.34Å; V97-Q99 PolarHBondContact O-N 3.41Å; Q99-I102 PolarHBondContact O-N 2.83Å; Q99-Q103 PolarHBondContact O-N 2.79Å |
| 100 | R | 77.1 | Confident | 73.1 | Confident | 192 Ų | 192 | 127.8 Ų | 127.8 | 73% | 0.725 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -65.5 | -40.6 | 171.2 | -99.4 | -175.5 | 167.8 | -173.2 | -3.6 | 112.3 | R96 V97 D98 I102 Q103 M104 | R96-R100 PolarHBondContact O-N 3.28Å; V97-R100 PolarHBondContact O-N 3.12Å; D98-R100 PolarHBondContact O-N 3.33Å; R100-I102 VanDerWaalsContact C-N 3.32Å; R100-Q103 PolarHBondContact O-N 3.32Å; R100-M104 PolarHBondContact O-N 3.36Å; R100-M104 VanDerWaalsContact O-N 3.12Å |
| 101 | L | 81.3 | Confident | 73.6 | Confident | 91 Ų | 91 | 122.8 Ų | 122.8 | 48% | 0.476 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -62.8 | -42.3 | 177 | -159.2 | 89.5 | 0 | 0 | 0 | 110.9 | V97 D98 M104 L105 | V97-L101 PolarHBondContact O-N 3.15Å; D98-L101 WeakPolarHBondContact O-CB 3.44Å; D98-L101 PolarHBondContact O-N 3.29Å; D98-L101 VanDerWaalsContact O-N 3.17Å; L101-M104 HydrophobicContact CD1-CE 4.15Å; L101-M104 PolarHBondContact O-N 2.9Å; L101-L105 WeakPolarHBondContact O-CG 3.38Å; L101-L105 PolarHBondContact O-N 3.21Å |
| 102 | I | 79.3 | Confident | 74 | Confident | 94 Ų | 94 | 124.3 Ų | 124.3 | 48% | 0.482 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -63.2 | -43.9 | 175.9 | -67.2 | 164.2 | 0 | 0 | 0 | 110.5 | D98 Q99 R100 M104 L105 Y106 | D98-I102 VanDerWaalsContact O-CG1 3.24Å; D98-I102 WeakPolarHBondContact O-CG1 3.49Å; D98-I102 PolarHBondContact O-N 3.38Å; Q99-I102 PolarHBondContact O-N 2.83Å; R100-I102 VanDerWaalsContact C-N 3.32Å; I102-M104 VanDerWaalsContact C-N 3.31Å; I102-M104 PolarHBondContact O-N 3.49Å; I102-L105 PolarHBondContact O-N 3.11Å; I102-L105 VanDerWaalsContact O-N 3.13Å; I102-Y106 HydrophobicContact CG2-CD2 3.88Å; I102-Y106 HydrophobicContact CG2-CE2 4.36Å; I102-Y106 WeakPolarHBondContact O-CD2 3.36Å; I102-Y106 PolarHBondContact O-N 3.13Å; I102-Y106 VanDerWaalsContact O-N 3.11Å |
| 103 | Q | 78.3 | Confident | 74.1 | Confident | 132 Ų | 132 | 123.4 Ų | 123.4 | 62% | 0.617 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -60.5 | -37 | 176.2 | -80.8 | -178 | -15.9 | 0 | 0 | 113.3 | Q99 R100 L105 G107 | Q99-Q103 PolarHBondContact O-N 2.79Å; R100-Q103 PolarHBondContact O-N 3.32Å; Q103-L105 VanDerWaalsContact C-N 3.32Å; Q103-L105 PolarHBondContact O-N 3.48Å; Q103-G107 WeakPolarHBondContact O-CA 3.42Å; Q103-G107 PolarHBondContact O-N 3.37Å |
| 104 | M | 77 | Confident | 74.3 | Confident | 137 Ų | 137 | 126.9 Ų | 126.9 | 68% | 0.675 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -71.8 | -24.3 | 176.1 | -71 | -172.9 | -65.4 | 0 | 0 | 113.9 | R100 L101 I102 | R100-M104 PolarHBondContact O-N 3.36Å; R100-M104 VanDerWaalsContact O-N 3.12Å; L101-M104 HydrophobicContact CD1-CE 4.15Å; L101-M104 PolarHBondContact O-N 2.9Å; I102-M104 VanDerWaalsContact C-N 3.31Å; I102-M104 PolarHBondContact O-N 3.49Å |
| 105 | L | 76.7 | Confident | 74.7 | Confident | 123 Ų | 123 | 128.9 Ų | 128.9 | 64% | 0.644 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -85.8 | -25.4 | -179.7 | -71.6 | 172.6 | 0 | 0 | 0 | 112.8 | L101 I102 Q103 | L101-L105 WeakPolarHBondContact O-CG 3.38Å; L101-L105 PolarHBondContact O-N 3.21Å; I102-L105 PolarHBondContact O-N 3.11Å; I102-L105 VanDerWaalsContact O-N 3.13Å; Q103-L105 VanDerWaalsContact C-N 3.32Å; Q103-L105 PolarHBondContact O-N 3.48Å |
| 106 | Y | 77.6 | Confident | 75.6 | Confident | 202 Ų | 202 | 130.2 Ų | 130.2 | 79% | 0.792 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -123.9 | -6.1 | -171.3 | -67.8 | -80.8 | 0 | 0 | 0 | 115 | I102 | I102-Y106 HydrophobicContact CG2-CD2 3.88Å; I102-Y106 HydrophobicContact CG2-CE2 4.36Å; I102-Y106 WeakPolarHBondContact O-CD2 3.36Å; I102-Y106 PolarHBondContact O-N 3.13Å; I102-Y106 VanDerWaalsContact O-N 3.11Å |
| 107 | G | 66.7 | Low | 76 | Confident | 119 Ų | 119 | 126.3 Ų | 126.3 | 100% | 1.227 | 66% | 0.656 | S | S | * | * | trans | -101 | 0 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111 | Q103 | Q103-G107 WeakPolarHBondContact O-CA 3.42Å; Q103-G107 PolarHBondContact O-N 3.37Å |
Retrieved 107 of 107 residues in 24.9 ms
(Link to these results)