| 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 | 41.5 | Very low | 43.5 | Very low | 240 Ų | 240 | 153.8 Ų | 153.8 | 100% | 1.182 | 80% | 0.798 | S | S | * | * | 0 | 138.2 | 0 | -78.3 | -162.2 | 162 | 0 | 0 | 108.6 | |||||
| 2 | H | 33.6 | Very low | 44.3 | Very low | 185 Ų | 185 | 150.8 Ų | 150.8 | 86% | 0.856 | 78% | 0.782 | S | S | * | * | trans | -91 | 136.8 | -175.3 | -60.5 | 93.3 | 0 | 0 | 0 | 110.7 | ||||
| 3 | P | 46.9 | Very low | 44.6 | Very low | 112 Ų | 112 | 145.2 Ų | 145.2 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | trans | -72.5 | 129.4 | 170 | 29.9 | -32 | 0 | 0 | 0 | 109.9 | N5 | P3-N5 PolarHBondContact O-N 2.87Å; P3-N5 VanDerWaalsContact O-N 3.17Å | ||
| 4 | I | 37 | Very low | 45 | Very low | 156 Ų | 156 | 145.4 Ų | 145.4 | 80% | 0.8 | 76% | 0.761 | S | S | * | * | trans | -75.2 | 104.3 | 176.6 | -61.4 | 169.4 | 0 | 0 | 0 | 107.9 | V6 | I4-V6 PolarHBondContact O-N 3.38Å; I4-V6 VanDerWaalsContact O-N 3.13Å | ||
| 5 | N | 36.3 | Very low | 45.1 | Very low | 154 Ų | 154 | 149 Ų | 149 | 82% | 0.824 | 76% | 0.762 | S | S | * | * | trans | -72.1 | 103.5 | 169.5 | -84.8 | -35.6 | 0 | 0 | 0 | 109.3 | P3 R7 | P3-N5 PolarHBondContact O-N 2.87Å; P3-N5 VanDerWaalsContact O-N 3.17Å; N5-R7 PolarHBondContact O-N 3.3Å | ||
| 6 | V | 41.1 | Very low | 44.9 | Very low | 121 Ų | 121 | 144.2 Ų | 144.2 | 73% | 0.733 | 76% | 0.761 | S | S | * | * | trans | -64.9 | 120.6 | 167.3 | -178.3 | 0 | 0 | 0 | 0 | 107.7 | I4 Q8 | I4-V6 PolarHBondContact O-N 3.38Å; I4-V6 VanDerWaalsContact O-N 3.13Å; V6-Q8 PolarHBondContact O-N 3.06Å | ||
| 7 | R | 40.9 | Very low | 45.2 | Very low | 248 Ų | 248 | 145.4 Ų | 145.4 | 94% | 0.936 | 77% | 0.767 | S | S | * | * | trans | -63.3 | 95.6 | -176.9 | -169.1 | -179.6 | -169.1 | -130.9 | 5.9 | 110.3 | N5 | N5-R7 PolarHBondContact O-N 3.3Š| ||
| 8 | Q | 49.9 | Very low | 44.9 | Very low | 160 Ų | 160 | 150 Ų | 150 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | trans | -75.7 | 142.8 | 174.2 | -78.8 | -179.5 | -26.6 | 0 | 0 | 110.9 | V6 | V6-Q8 PolarHBondContact O-N 3.06Š| ||
| 9 | D | 43.3 | Very low | 45.2 | Very low | 103 Ų | 103 | 152.3 Ų | 152.3 | 55% | 0.551 | 78% | 0.779 | S | S | * | * | trans | -71.3 | 127.9 | -177.3 | -172.6 | 29.3 | 0 | 0 | 0 | 110.8 | S11 | D9-S11 PolarHBondContact O-N 3.41Å; D9-S11 WeakPolarHBondContact OD2-CB 3.25Å; D9-S11 PolarHBondContact OD2-OG 2.88Å | ||
| 10 | P | 55.7 | Low | 45.4 | Very low | 130 Ų | 130 | 149.4 Ų | 149.4 | 84% | 0.844 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | -7.7 | -177.6 | -23.2 | 34.4 | 0 | 0 | 0 | 115.3 | I12 | P10-I12 VanDerWaalsContact C-N 3.33Å; P10-I12 PolarHBondContact O-N 3.09Å |
| 11 | S | 52.5 | Low | 45.9 | Very low | 83 Ų | 83 | 148.1 Ų | 148.1 | 58% | 0.58 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -16.3 | -175.7 | 72.1 | 0 | 0 | 0 | 0 | 114.6 | D9 P13 | D9-S11 PolarHBondContact O-N 3.41Å; D9-S11 WeakPolarHBondContact OD2-CB 3.25Å; D9-S11 PolarHBondContact OD2-OG 2.88Å; S11-P13 WeakPolarHBondContact O-CD 3.5Å |
| 12 | I | 52.8 | Low | 46.3 | Very low | 118 Ų | 118 | 145 Ų | 145 | 61% | 0.605 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -97.2 | 110.3 | -172.8 | -53.4 | 176.8 | 0 | 0 | 0 | 110.2 | P10 I14 | P10-I12 VanDerWaalsContact C-N 3.33Å; P10-I12 PolarHBondContact O-N 3.09Å; I12-I14 PolarHBondContact O-N 3.01Å; I12-I14 VanDerWaalsContact O-N 3.13Å |
| 13 | P | 48.8 | Very low | 47.2 | Very low | 78 Ų | 78 | 139.8 Ų | 139.8 | 51% | 0.506 | 73% | 0.732 | S | S | . | * | trans | -65.6 | 115.1 | 175.8 | 25.3 | -33.1 | 0 | 0 | 0 | 111.1 | S11 Y15 | S11-P13 WeakPolarHBondContact O-CD 3.5Å; P13-Y15 HydrophobicContact CB-CE2 3.96Å; P13-Y15 HydrophobicContact CG-CE2 3.72Å; P13-Y15 WeakPolarHBondContact O-CD2 3.38Å; P13-Y15 PolarHBondContact O-N 3.24Å; P13-Y15 VanDerWaalsContact O-N 3.09Å | ||
| 14 | I | 49.6 | Very low | 47.1 | Very low | 147 Ų | 147 | 139 Ų | 139 | 75% | 0.754 | 72% | 0.721 | S | S | * | * | trans | -77.6 | 93.9 | 176.6 | -56.5 | 176.7 | 0 | 0 | 0 | 109 | I12 G16 | I12-I14 PolarHBondContact O-N 3.01Å; I12-I14 VanDerWaalsContact O-N 3.13Å; I14-G16 PolarHBondContact O-N 3.49Å; I14-G16 VanDerWaalsContact O-N 3.14Å | ||
| 15 | Y | 46.3 | Very low | 47.8 | Very low | 200 Ų | 200 | 138 Ų | 138 | 78% | 0.784 | 72% | 0.722 | S | S | * | * | trans | -74.2 | 100.9 | 171.6 | -62.8 | -74.9 | 0 | 0 | 0 | 110.8 | P13 L17 | P13-Y15 HydrophobicContact CB-CE2 3.96Å; P13-Y15 HydrophobicContact CG-CE2 3.72Å; P13-Y15 WeakPolarHBondContact O-CD2 3.38Å; P13-Y15 PolarHBondContact O-N 3.24Å; P13-Y15 VanDerWaalsContact O-N 3.09Å; Y15-L17 PolarHBondContact O-N 3.34Å | ||
| 16 | G | 42.7 | Very low | 48.3 | Very low | 72 Ų | 72 | 141.4 Ų | 141.4 | 74% | 0.742 | 72% | 0.724 | S | S | * | * | trans | -68.7 | 108.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | I14 R18 | I14-G16 PolarHBondContact O-N 3.49Å; I14-G16 VanDerWaalsContact O-N 3.14Å; G16-R18 PolarHBondContact O-N 2.91Å; G16-R18 VanDerWaalsContact O-N 3.1Å | ||
| 17 | L | 48.9 | Very low | 48.6 | Very low | 164 Ų | 164 | 140.6 Ų | 140.6 | 86% | 0.859 | 72% | 0.715 | S | S | * | * | trans | -68 | 105.4 | 172.5 | -84.3 | 164.8 | 0 | 0 | 0 | 110.4 | Y15 Q19 | Y15-L17 PolarHBondContact O-N 3.34Å; L17-Q19 PolarHBondContact O-N 2.74Å; L17-Q19 VanDerWaalsContact O-N 3.13Å | ||
| 18 | R | 40.6 | Very low | 49 | Very low | 229 Ų | 229 | 136.6 Ų | 136.6 | 86% | 0.864 | 71% | 0.707 | S | S | * | * | trans | -66.9 | 109.4 | 172.5 | -165.6 | 179.4 | -172.1 | -167.3 | 2.4 | 109.3 | G16 S20 | G16-R18 PolarHBondContact O-N 2.91Å; G16-R18 VanDerWaalsContact O-N 3.1Å; R18-S20 VanDerWaalsContact C-N 3.33Å; R18-S20 PolarHBondContact O-N 2.73Å | ||
| 19 | Q | 50.2 | Low | 48.8 | Very low | 193 Ų | 193 | 136.5 Ų | 136.5 | 90% | 0.902 | 71% | 0.711 | S | S | * | * | trans | -73.8 | 83.4 | 177 | -68 | -177.7 | 4.4 | 0 | 0 | 110.8 | L17 | L17-Q19 PolarHBondContact O-N 2.74Å; L17-Q19 VanDerWaalsContact O-N 3.13Å | ||
| 20 | S | 49.5 | Very low | 49.2 | Very low | 94 Ų | 94 | 134.6 Ų | 134.6 | 66% | 0.657 | 71% | 0.706 | S | S | * | * | trans | -117.1 | 100.9 | 169.5 | 56.7 | 0 | 0 | 0 | 0 | 110 | R18 | R18-S20 VanDerWaalsContact C-N 3.33Å; R18-S20 PolarHBondContact O-N 2.73Å | ||
| 21 | I | 56 | Low | 48.9 | Very low | 123 Ų | 123 | 137.1 Ų | 137.1 | 63% | 0.631 | 70% | 0.7 | S | S | * | * | trans | -92.1 | 107.6 | 170.7 | -58.9 | 175.2 | 0 | 0 | 0 | 107.5 | L23 V32 | I21-L23 HydrophobicContact CG2-CD2 4.05Å; I21-L23 HydrophobicContact CG2-CG 4.29Å; I21-L23 PolarHBondContact O-N 3.02Å; I21-V32 HydrophobicContact CD1-CG2 4.36Å | ||
| 22 | L | 49.8 | Very low | 48.6 | Very low | 174 Ų | 174 | 137.2 Ų | 137.2 | 91% | 0.911 | 70% | 0.696 | S | S | * | * | trans | -83.3 | 103.8 | 170.6 | -168.7 | 71.7 | 0 | 0 | 0 | 108.6 | ||||
| 23 | L | 53.3 | Low | 48.2 | Very low | 77 Ų | 77 | 136.5 Ų | 136.5 | 40% | 0.403 | 69% | 0.694 | S | S | . | * | trans | -72.2 | 129.8 | 177 | -70.1 | 171.2 | 0 | 0 | 0 | 110.2 | I21 C30 | I21-L23 HydrophobicContact CG2-CD2 4.05Å; I21-L23 HydrophobicContact CG2-CG 4.29Å; I21-L23 PolarHBondContact O-N 3.02Å; L23-C30 HydrophobicContact CD1-CB 4.15Å; L23-C30 WeakPolarHBondContact CD1-O 3.11Å; L23-C30 HydrophobicContact CD2-CB 3.72Å | ||
| 24 | N | 43.6 | Very low | 48.1 | Very low | 94 Ų | 94 | 135.4 Ų | 135.4 | 50% | 0.503 | 69% | 0.688 | S | S | . | * | trans | -71.5 | 129.9 | 174.6 | -172.8 | -67.8 | 0 | 0 | 0 | 109.2 | R26 L27 | N24-R26 PolarHBondContact O-N 2.95Å; N24-R26 WeakPolarHBondContact OD1-CB 3.44Å; N24-R26 WeakPolarHBondContact OD1-CG 3.33Å; N24-R26 PolarHBondContact OD1-N 2.78Å; N24-L27 HydrophobicContact CB-CD1 4.27Å; N24-L27 HydrophobicContact CB-CG 4.35Å; N24-L27 WeakPolarHBondContact O-CB 3.4Å; N24-L27 PolarHBondContact O-N 3.33Å | ||
| 25 | T | 51.7 | Low | 48.1 | Very low | 136 Ų | 136 | 133.5 Ų | 133.5 | 83% | 0.834 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | -11.2 | -175.6 | 52.6 | 0 | 0 | 0 | 0 | 115 | ||
| 26 | R | 47.3 | Very low | 48.2 | Very low | 225 Ų | 225 | 127.4 Ų | 127.4 | 85% | 0.849 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -12 | 171.8 | -58 | -178.1 | 179.4 | -140.8 | -1.5 | 113.6 | N24 Q28 | N24-R26 PolarHBondContact O-N 2.95Å; N24-R26 WeakPolarHBondContact OD1-CB 3.44Å; N24-R26 WeakPolarHBondContact OD1-CG 3.33Å; N24-R26 PolarHBondContact OD1-N 2.78Å; R26-Q28 PolarHBondContact O-N 3.43Å |
| 27 | L | 47.7 | Very low | 48.3 | Very low | 105 Ų | 105 | 129.9 Ų | 129.9 | 55% | 0.55 | 67% | 0.672 | S | S | . | * | trans | -92.7 | 93.7 | 174.6 | -61.4 | 176.1 | 0 | 0 | 0 | 108.8 | N24 | N24-L27 HydrophobicContact CB-CD1 4.27Å; N24-L27 HydrophobicContact CB-CG 4.35Å; N24-L27 WeakPolarHBondContact O-CB 3.4Å; N24-L27 PolarHBondContact O-N 3.33Å | ||
| 28 | Q | 48.5 | Very low | 48.3 | Very low | 164 Ų | 164 | 125.3 Ų | 125.3 | 77% | 0.766 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | 158.4 | 166 | -66.2 | 172 | 4.1 | 0 | 0 | 109.1 | R26 C30 | R26-Q28 PolarHBondContact O-N 3.43Å; Q28-C30 VanDerWaalsContact C-N 3.31Å; Q28-C30 PolarHBondContact O-N 2.84Å |
| 29 | D | 46.9 | Very low | 48.7 | Very low | 158 Ų | 158 | 120 Ų | 120 | 85% | 0.845 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 63.6 | 17.7 | 176.5 | -47.9 | -36 | 0 | 0 | 0 | 117.8 | ||
| 30 | C | 50.5 | Low | 48.5 | Very low | 63 Ų | 63 | 115.7 Ų | 115.7 | 43% | 0.426 | 62% | 0.622 | S | S | . | * | trans | -95.3 | 121 | 170.6 | -67.4 | 0 | 0 | 0 | 0 | 111.5 | L23 Q28 | L23-C30 HydrophobicContact CD1-CB 4.15Å; L23-C30 WeakPolarHBondContact CD1-O 3.11Å; L23-C30 HydrophobicContact CD2-CB 3.72Å; Q28-C30 VanDerWaalsContact C-N 3.31Å; Q28-C30 PolarHBondContact O-N 2.84Å | ||
| 31 | Y | 49.1 | Very low | 48 | Very low | 183 Ų | 183 | 120.8 Ų | 120.8 | 72% | 0.718 | 63% | 0.627 | S | S | * | * | trans | -125.7 | 152.9 | 172.8 | 62.8 | -86.3 | 0 | 0 | 0 | 111.4 | D33 | Y31-D33 WeakPolarHBondContact CE2-OD1 3.48Š| ||
| 32 | V | 46.1 | Very low | 47.5 | Very low | 84 Ų | 84 | 119.8 Ų | 119.8 | 51% | 0.509 | 62% | 0.621 | S | S | . | * | trans | -95.2 | 117.1 | 171.9 | 179.4 | 0 | 0 | 0 | 0 | 108.1 | I21 S34 | I21-V32 HydrophobicContact CD1-CG2 4.36Å; V32-S34 VanDerWaalsContact C-N 3.3Å; V32-S34 PolarHBondContact O-N 3.04Å | ||
| 33 | D | 45.3 | Very low | 47.2 | Very low | 103 Ų | 103 | 114.6 Ų | 114.6 | 55% | 0.551 | 60% | 0.603 | S | S | * | * | trans | -62.5 | 87.6 | 173.6 | -90.9 | -52.7 | 0 | 0 | 0 | 110.7 | Y31 | Y31-D33 WeakPolarHBondContact CE2-OD1 3.48Š| ||
| 34 | S | 45.7 | Very low | 46.9 | Very low | 56 Ų | 56 | 121 Ų | 121 | 39% | 0.392 | 62% | 0.621 | S | S | . | * | trans | -74.6 | 124.1 | 168.3 | -67 | 0 | 0 | 0 | 0 | 109.1 | V32 A36 L37 | V32-S34 VanDerWaalsContact C-N 3.3Å; V32-S34 PolarHBondContact O-N 3.04Å; S34-A36 PolarHBondContact O-N 3.49Å; S34-L37 PolarHBondContact O-N 3.05Å | ||
| 35 | P | 51.4 | Low | 46.9 | Very low | 106 Ų | 106 | 120.2 Ų | 120.2 | 69% | 0.688 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -54.8 | -24 | -176.5 | -28.7 | 35.1 | 0 | 0 | 0 | 115.2 | ||
| 36 | A | 46.5 | Very low | 46.6 | Very low | 73 Ų | 73 | 117.4 Ų | 117.4 | 60% | 0.603 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -66.8 | -33 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | S34 | S34-A36 PolarHBondContact O-N 3.49Å |
| 37 | L | 45.1 | Very low | 46.3 | Very low | 123 Ų | 123 | 111 Ų | 111 | 64% | 0.644 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -81.8 | -33.5 | -176 | -87.6 | 160.5 | 0 | 0 | 0 | 112.7 | S34 N39 I40 | S34-L37 PolarHBondContact O-N 3.05Å; L37-N39 VanDerWaalsContact C-N 3.27Å; L37-N39 PolarHBondContact O-N 3.42Å; L37-I40 PolarHBondContact O-N 3.41Å |
| 38 | T | 48.8 | Very low | 46.4 | Very low | 69 Ų | 69 | 115.2 Ų | 115.2 | 42% | 0.423 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -61 | -36.6 | -179.4 | -33.9 | 0 | 0 | 0 | 0 | 112 | I40 M42 | T38-I40 PolarHBondContact O-N 2.99Å; T38-M42 WeakPolarHBondContact O-CB 3.11Å; T38-M42 WeakPolarHBondContact O-CG 3.28Å; T38-M42 PolarHBondContact O-N 3.01Å |
| 39 | N | 50.6 | Low | 46.2 | Very low | 118 Ų | 118 | 115.7 Ų | 115.7 | 63% | 0.631 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -64.7 | -36.5 | 179.6 | -75.5 | -26.7 | 0 | 0 | 0 | 113.5 | L37 A43 | L37-N39 VanDerWaalsContact C-N 3.27Å; L37-N39 PolarHBondContact O-N 3.42Å; N39-A43 VanDerWaalsContact O-CB 3.28Å; N39-A43 WeakPolarHBondContact O-CB 3.46Å; N39-A43 PolarHBondContact O-N 3.3Å |
| 40 | I | 44.9 | Very low | 46 | Very low | 101 Ų | 101 | 115.6 Ų | 115.6 | 52% | 0.518 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -73 | -39.5 | -174.9 | -60.3 | 172.6 | 0 | 0 | 0 | 111.1 | L37 T38 | L37-I40 PolarHBondContact O-N 3.41Å; T38-I40 PolarHBondContact O-N 2.99Å |
| 41 | W | 39.7 | Very low | 45.6 | Very low | 202 Ų | 202 | 119.9 Ų | 119.9 | 77% | 0.765 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -67.1 | -48.1 | 175 | -169.6 | -85.8 | 0 | 0 | 0 | 111.1 | A43 R44 T45 | W41-A43 PolarHBondContact O-N 3.49Å; W41-R44 PolarHBondContact O-N 3.46Å; W41-T45 PolarHBondContact O-N 2.97Å; W41-T45 PolarHBondContact O-OG1 3.01Å |
| 42 | M | 45.7 | Very low | 45.5 | Very low | 102 Ų | 102 | 118.4 Ų | 118.4 | 50% | 0.502 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -59.1 | -43.9 | 179 | -71.7 | -71.1 | -70.9 | 0 | 0 | 112.4 | T38 R44 T45 C46 | T38-M42 WeakPolarHBondContact O-CB 3.11Å; T38-M42 WeakPolarHBondContact O-CG 3.28Å; T38-M42 PolarHBondContact O-N 3.01Å; M42-R44 VanDerWaalsContact C-N 3.3Å; M42-R44 PolarHBondContact O-N 3.43Å; M42-T45 WeakPolarHBondContact CA-OG1 3.33Å; M42-T45 PolarHBondContact O-N 3.5Å; M42-T45 PolarHBondContact O-OG1 3.05Å; M42-C46 WeakPolarHBondContact O-CB 3.36Å; M42-C46 PolarHBondContact O-N 3.15Å; M42-C46 PolarHBondContact O-SG 3.44Å |
| 43 | A | 43.6 | Very low | 44.9 | Very low | 65 Ų | 65 | 120.6 Ų | 120.6 | 54% | 0.537 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -59.7 | -38.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113 | N39 W41 A47 | N39-A43 VanDerWaalsContact O-CB 3.28Å; N39-A43 WeakPolarHBondContact O-CB 3.46Å; N39-A43 PolarHBondContact O-N 3.3Å; W41-A43 PolarHBondContact O-N 3.49Å; A43-A47 PolarHBondContact O-N 3.42Å |
| 44 | R | 47 | Very low | 44.8 | Very low | 210 Ų | 210 | 122.2 Ų | 122.2 | 79% | 0.792 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -72 | -32.8 | 177.7 | -72 | -178.9 | 174.6 | 176.8 | -1.4 | 112.8 | W41 M42 | W41-R44 PolarHBondContact O-N 3.46Å; M42-R44 VanDerWaalsContact C-N 3.3Å; M42-R44 PolarHBondContact O-N 3.43Å |
| 45 | T | 43.4 | Very low | 44.3 | Very low | 79 Ų | 79 | 123.6 Ų | 123.6 | 49% | 0.485 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -78.5 | -34.5 | 175.3 | 45.8 | 0 | 0 | 0 | 0 | 113.4 | W41 M42 | W41-T45 PolarHBondContact O-N 2.97Å; W41-T45 PolarHBondContact O-OG1 3.01Å; M42-T45 WeakPolarHBondContact CA-OG1 3.33Å; M42-T45 PolarHBondContact O-N 3.5Å; M42-T45 PolarHBondContact O-OG1 3.05Å |
| 46 | C | 44.7 | Very low | 43.8 | Very low | 77 Ų | 77 | 123.8 Ų | 123.8 | 52% | 0.52 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -78.2 | -18 | -176.5 | -68.3 | 0 | 0 | 0 | 0 | 113.9 | M42 K48 Q49 | M42-C46 WeakPolarHBondContact O-CB 3.36Å; M42-C46 PolarHBondContact O-N 3.15Å; M42-C46 PolarHBondContact O-SG 3.44Å; C46-K48 PolarHBondContact O-N 3.33Å; C46-Q49 PolarHBondContact O-N 3.15Å |
| 47 | A | 40.5 | Very low | 43.4 | Very low | 91 Ų | 91 | 124.4 Ų | 124.4 | 75% | 0.752 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.8 | -8.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | A43 | A43-A47 PolarHBondContact O-N 3.42Š|
| 48 | K | 50.4 | Low | 43.2 | Very low | 193 Ų | 193 | 123.9 Ų | 123.9 | 84% | 0.839 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.9 | 4.5 | -178.3 | -156.3 | 168.3 | -179.5 | 177.6 | 0 | 114.9 | C46 | C46-K48 PolarHBondContact O-N 3.33Š|
| 49 | Q | 43.8 | Very low | 42.8 | Very low | 173 Ų | 173 | 126.3 Ų | 126.3 | 81% | 0.808 | 70% | 0.704 | S | S | * | * | trans | -134.5 | 90.4 | 176 | -69 | -170.1 | -2.4 | 0 | 0 | 111.8 | C46 I51 | C46-Q49 PolarHBondContact O-N 3.15Å; Q49-I51 PolarHBondContact O-N 2.87Å | ||
| 50 | N | 44.3 | Very low | 42.3 | Very low | 156 Ų | 156 | 124 Ų | 124 | 83% | 0.834 | 70% | 0.697 | S | S | * | * | trans | -88.7 | 86.1 | 172.2 | 178.4 | 14.2 | 0 | 0 | 0 | 110.6 | ||||
| 51 | I | 41 | Very low | 42.2 | Very low | 153 Ų | 153 | 122.3 Ų | 122.3 | 79% | 0.785 | 69% | 0.694 | S | S | * | * | trans | -150.2 | 141.2 | 155.8 | -11 | 169.3 | 0 | 0 | 0 | 110.7 | Q49 T53 | Q49-I51 PolarHBondContact O-N 2.87Å; I51-T53 PolarHBondContact O-N 3.11Å | ||
| 52 | N | 47.2 | Very low | 42.1 | Very low | 152 Ų | 152 | 119.8 Ų | 119.8 | 81% | 0.813 | 68% | 0.684 | S | S | * | * | trans | -63.6 | 121.2 | -172.2 | -57.1 | -62 | 0 | 0 | 0 | 113.4 | ||||
| 53 | T | 34.3 | Very low | 41.9 | Very low | 130 Ų | 130 | 119.7 Ų | 119.7 | 80% | 0.798 | 68% | 0.683 | S | S | * | * | trans | -154.4 | 128.1 | 158.3 | -61.5 | 0 | 0 | 0 | 0 | 110 | I51 A55 | I51-T53 PolarHBondContact O-N 3.11Å; T53-A55 PolarHBondContact O-N 3.12Å | ||
| 54 | T | 41.7 | Very low | 42 | Very low | 137 Ų | 137 | 120.3 Ų | 120.3 | 84% | 0.84 | 68% | 0.68 | S | S | * | * | trans | -59 | 124.1 | 176 | -54.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 55 | A | 35.4 | Very low | 41.9 | Very low | 86 Ų | 86 | 113.1 Ų | 113.1 | 71% | 0.711 | 66% | 0.659 | S | S | * | * | trans | -60.9 | 130.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | T53 A57 | T53-A55 PolarHBondContact O-N 3.12Å; A55-A57 PolarHBondContact O-N 2.94Å; A55-A57 VanDerWaalsContact O-N 3.13Å | ||
| 56 | P | 41.3 | Very low | 42 | Very low | 109 Ų | 109 | 118.7 Ų | 118.7 | 71% | 0.708 | 67% | 0.671 | S | S | * | * | trans | -70.9 | 109.9 | 172.2 | 28.4 | -32.4 | 0 | 0 | 0 | 109.5 | T58 | P56-T58 VanDerWaalsContact C-N 3.33Å; P56-T58 PolarHBondContact O-N 3.02Å; P56-T58 PolarHBondContact O-OG1 3.47Å | ||
| 57 | A | 37.4 | Very low | 42.2 | Very low | 87 Ų | 87 | 121.8 Ų | 121.8 | 72% | 0.719 | 68% | 0.683 | S | S | * | * | trans | -61.5 | 92.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | A55 T59 | A55-A57 PolarHBondContact O-N 2.94Å; A55-A57 VanDerWaalsContact O-N 3.13Å; A57-T59 VanDerWaalsContact C-N 3.29Å; A57-T59 PolarHBondContact O-N 2.83Å | ||
| 58 | T | 41.9 | Very low | 42.6 | Very low | 112 Ų | 112 | 123 Ų | 123 | 69% | 0.687 | 68% | 0.683 | S | S | * | * | trans | -76.9 | 83.6 | -177.9 | -59.1 | 0 | 0 | 0 | 0 | 108.7 | P56 S60 | P56-T58 VanDerWaalsContact C-N 3.33Å; P56-T58 PolarHBondContact O-N 3.02Å; P56-T58 PolarHBondContact O-OG1 3.47Å; T58-S60 PolarHBondContact O-N 2.96Å; T58-S60 VanDerWaalsContact O-N 3.16Å | ||
| 59 | T | 39.2 | Very low | 42.4 | Very low | 119 Ų | 119 | 121.9 Ų | 121.9 | 73% | 0.73 | 69% | 0.685 | S | S | * | * | trans | -78.8 | 95.7 | -178.9 | 38.1 | 0 | 0 | 0 | 0 | 110.2 | A57 S61 | A57-T59 VanDerWaalsContact C-N 3.29Å; A57-T59 PolarHBondContact O-N 2.83Å; T59-S61 PolarHBondContact O-N 3.31Å | ||
| 60 | S | 41.8 | Very low | 42.7 | Very low | 69 Ų | 69 | 119.3 Ų | 119.3 | 48% | 0.483 | 68% | 0.675 | S | S | . | * | trans | -71.1 | 104 | 168.7 | 45 | 0 | 0 | 0 | 0 | 109.8 | T58 | T58-S60 PolarHBondContact O-N 2.96Å; T58-S60 VanDerWaalsContact O-N 3.16Å | ||
| 61 | S | 41.4 | Very low | 42.7 | Very low | 66 Ų | 66 | 117.5 Ų | 117.5 | 46% | 0.462 | 68% | 0.682 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.1 | 125.5 | 174.2 | 63.4 | 0 | 0 | 0 | 0 | 110.8 | T59 | T59-S61 PolarHBondContact O-N 3.31Å |
| 62 | W | 39.2 | Very low | 42.9 | Very low | 149 Ų | 149 | 115.4 Ų | 115.4 | 56% | 0.564 | 67% | 0.673 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -85.4 | 124.1 | 171.1 | -64.7 | 99 | 0 | 0 | 0 | 110.3 | L81 R83 | W62-L81 HydrophobicContact CB-CD2 4.27Å; W62-L81 HydrophobicContact CE3-CB 4.11Å; W62-L81 HydrophobicContact CZ3-CB 4.36Å; W62-R83 HydrophobicContact CE3-CB 4.28Å; W62-R83 HydrophobicContact CH2-CB 3.96Å; W62-R83 HydrophobicContact CH2-CG 3.97Å; W62-R83 HydrophobicContact CZ2-CG 4.45Å; W62-R83 HydrophobicContact CZ3-CB 3.63Å; W62-R83 HydrophobicContact CZ3-CG 4.07Å |
| 63 | E | 41.3 | Very low | 42.9 | Very low | 100 Ų | 100 | 113.4 Ų | 113.4 | 47% | 0.467 | 67% | 0.67 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.7 | 126.6 | 175 | -170.7 | 174.8 | -170.2 | 0 | 0 | 109.7 | V65 Q84 | E63-V65 HydrophobicContact CG-CG2 4.48Å; E63-V65 PolarHBondContact O-N 3.39Å; E63-Q84 PolarHBondContact OE2-NE2 3.49Å |
| 64 | V | 44.8 | Very low | 43.3 | Very low | 79 Ų | 79 | 115.3 Ų | 115.3 | 48% | 0.479 | 67% | 0.668 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.3 | 92.9 | 179.1 | -178.4 | 0 | 0 | 0 | 0 | 108.8 | R66 L79 L81 | V64-R66 PolarHBondContact O-N 3.11Å; V64-R66 VanDerWaalsContact O-N 3.11Å; V64-L79 HydrophobicContact CG1-CD1 4.19Å; V64-L79 HydrophobicContact CG1-CD2 3.7Å; V64-L79 HydrophobicContact CG1-CG 4.36Å; V64-L81 HydrophobicContact CG2-CD2 4.12Å |
| 65 | V | 45.5 | Very low | 43.4 | Very low | 58 Ų | 58 | 114.5 Ų | 114.5 | 35% | 0.352 | 67% | 0.668 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -76.5 | 100.5 | 179.1 | -175.8 | 0 | 0 | 0 | 0 | 109.5 | E63 | E63-V65 HydrophobicContact CG-CG2 4.48Å; E63-V65 PolarHBondContact O-N 3.39Å |
| 66 | R | 45.5 | Very low | 43.9 | Very low | 196 Ų | 196 | 117.9 Ų | 117.9 | 74% | 0.74 | 67% | 0.673 | S | S | * | * | trans | -81.1 | 119.1 | 169 | -79.8 | -173.3 | 171.9 | -169.3 | -1.2 | 110 | V64 P68 L79 | V64-R66 PolarHBondContact O-N 3.11Å; V64-R66 VanDerWaalsContact O-N 3.11Å; R66-P68 WeakPolarHBondContact O-CD 3.35Å; R66-L79 HydrophobicContact CG-CD2 4.37Å | ||
| 67 | N | 48.8 | Very low | 44.3 | Very low | 143 Ų | 143 | 117.5 Ų | 117.5 | 77% | 0.765 | 67% | 0.669 | S | S | * | * | trans | -102 | 105.3 | 162.6 | -88.4 | -31.9 | 0 | 0 | 0 | 109.2 | L69 | N67-L69 PolarHBondContact O-N 3Å; N67-L69 VanDerWaalsContact O-N 3.13Å | ||
| 68 | P | 47.8 | Very low | 45.1 | Very low | 117 Ų | 117 | 121.5 Ų | 121.5 | 76% | 0.76 | 67% | 0.67 | S | S | * | * | trans | -88.6 | 68.5 | -176.7 | 36.4 | -34.9 | 0 | 0 | 0 | 111.5 | R66 | R66-P68 WeakPolarHBondContact O-CD 3.35Š| ||
| 69 | L | 48 | Very low | 45.4 | Very low | 168 Ų | 168 | 120.6 Ų | 120.6 | 88% | 0.88 | 66% | 0.66 | S | S | * | * | trans | -136.9 | 62.6 | 170.7 | -72.4 | 178.8 | 0 | 0 | 0 | 111.1 | N67 | N67-L69 PolarHBondContact O-N 3Å; N67-L69 VanDerWaalsContact O-N 3.13Å | ||
| 70 | I | 48.2 | Very low | 46 | Very low | 119 Ų | 119 | 118.9 Ų | 118.9 | 61% | 0.61 | 65% | 0.65 | S | S | * | * | trans | -132 | 88.6 | 163.1 | -53.8 | 179.8 | 0 | 0 | 0 | 107.4 | N72 | I70-N72 HydrophobicContact CG2-CB 4.08Å; I70-N72 PolarHBondContact O-N 3.36Å | ||
| 71 | A | 44.7 | Very low | 46.3 | Very low | 118 Ų | 118 | 120.7 Ų | 120.7 | 98% | 0.975 | 65% | 0.653 | S | S | * | * | trans | -80 | 61.8 | 172 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 72 | N | 45.6 | Very low | 46.5 | Very low | 110 Ų | 110 | 125 Ų | 125 | 59% | 0.588 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -142.7 | 129.2 | 176 | -166.4 | 1.2 | 0 | 0 | 0 | 110 | I70 F74 | I70-N72 HydrophobicContact CG2-CB 4.08Å; I70-N72 PolarHBondContact O-N 3.36Å; N72-F74 PolarHBondContact O-N 3.48Å |
| 73 | S | 47.5 | Very low | 47.1 | Very low | 109 Ų | 109 | 126.1 Ų | 126.1 | 76% | 0.762 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -82.5 | 44.6 | -163.8 | 43.9 | 0 | 0 | 0 | 0 | 114.6 | ||
| 74 | F | 42.9 | Very low | 47.4 | Very low | 170 Ų | 170 | 125 Ų | 125 | 75% | 0.746 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -132.5 | 116.4 | 166.3 | -66.4 | -79.7 | 0 | 0 | 0 | 109.6 | N72 L76 | N72-F74 PolarHBondContact O-N 3.48Å; F74-L76 VanDerWaalsContact C-N 3.29Å; F74-L76 PolarHBondContact O-N 3.49Å |
| 75 | S | 44.3 | Very low | 47.3 | Very low | 121 Ų | 121 | 126.4 Ų | 126.4 | 85% | 0.846 | 66% | 0.662 | S | S | * | * | trans | -79.5 | 50.5 | -155 | 49.7 | 0 | 0 | 0 | 0 | 116.2 | V77 | S75-V77 PolarHBondContact O-N 3.01Š| ||
| 76 | L | 44.1 | Very low | 47.4 | Very low | 156 Ų | 156 | 130.9 Ų | 130.9 | 82% | 0.817 | 68% | 0.677 | S | S | * | * | trans | -91.4 | 87.5 | 171.3 | -68.2 | 178.3 | 0 | 0 | 0 | 111.5 | F74 K78 | F74-L76 VanDerWaalsContact C-N 3.29Å; F74-L76 PolarHBondContact O-N 3.49Å; L76-K78 PolarHBondContact O-N 3.22Å; L76-K78 VanDerWaalsContact O-N 3.09Å | ||
| 77 | V | 49.9 | Very low | 47.3 | Very low | 101 Ų | 101 | 127.6 Ų | 127.6 | 61% | 0.612 | 68% | 0.675 | S | S | * | * | trans | -71.1 | 102.5 | 173.4 | -174.3 | 0 | 0 | 0 | 0 | 109.7 | S75 L79 | S75-V77 PolarHBondContact O-N 3.01Å; V77-L79 HydrophobicContact CG1-CD2 3.57Å; V77-L79 HydrophobicContact CG1-CG 4.16Å; V77-L79 PolarHBondContact O-N 3.4Å | ||
| 78 | K | 54.9 | Low | 47.4 | Very low | 172 Ų | 172 | 129.9 Ų | 129.9 | 75% | 0.748 | 68% | 0.677 | S | S | * | * | trans | -71.4 | 93.1 | 173.9 | -174.6 | 175.9 | 179.8 | 175.7 | 0 | 110.7 | L76 | L76-K78 PolarHBondContact O-N 3.22Å; L76-K78 VanDerWaalsContact O-N 3.09Å | ||
| 79 | L | 49 | Very low | 46.9 | Very low | 92 Ų | 92 | 129.3 Ų | 129.3 | 48% | 0.482 | 68% | 0.675 | S | S | . | * | trans | -79 | 122.9 | 173 | -59.6 | -178.2 | 0 | 0 | 0 | 110.4 | V64 R66 V77 | V64-L79 HydrophobicContact CG1-CD1 4.19Å; V64-L79 HydrophobicContact CG1-CD2 3.7Å; V64-L79 HydrophobicContact CG1-CG 4.36Å; R66-L79 HydrophobicContact CG-CD2 4.37Å; V77-L79 HydrophobicContact CG1-CD2 3.57Å; V77-L79 HydrophobicContact CG1-CG 4.16Å; V77-L79 PolarHBondContact O-N 3.4Å | ||
| 80 | V | 51.9 | Low | 46.3 | Very low | 84 Ų | 84 | 126.9 Ų | 126.9 | 51% | 0.509 | 67% | 0.671 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.9 | 110 | 171.7 | -179.4 | 0 | 0 | 0 | 0 | 108.1 | R82 | V80-R82 PolarHBondContact O-N 2.67Å |
| 81 | L | 47.4 | Very low | 45.8 | Very low | 106 Ų | 106 | 127.2 Ų | 127.2 | 56% | 0.555 | 68% | 0.681 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -81.1 | 113.4 | 175.6 | -74 | 166.5 | 0 | 0 | 0 | 109.7 | W62 V64 | W62-L81 HydrophobicContact CB-CD2 4.27Å; W62-L81 HydrophobicContact CE3-CB 4.11Å; W62-L81 HydrophobicContact CZ3-CB 4.36Å; V64-L81 HydrophobicContact CG2-CD2 4.12Å |
| 82 | R | 44.6 | Very low | 45.3 | Very low | 157 Ų | 157 | 125.6 Ų | 125.6 | 59% | 0.592 | 67% | 0.668 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -98.7 | 119.1 | 174.4 | -170.7 | 177.4 | -178.5 | 177.5 | 0.5 | 109.5 | V80 Q84 | V80-R82 PolarHBondContact O-N 2.67Å; R82-Q84 PolarHBondContact O-N 3.48Å |
| 83 | R | 53 | Low | 45.1 | Very low | 172 Ų | 172 | 126.7 Ų | 126.7 | 65% | 0.649 | 68% | 0.681 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -75 | 104 | 175 | -167 | 173.4 | 74.7 | -179.1 | 3.1 | 110 | W62 L85 | W62-R83 HydrophobicContact CE3-CB 4.28Å; W62-R83 HydrophobicContact CH2-CB 3.96Å; W62-R83 HydrophobicContact CH2-CG 3.97Å; W62-R83 HydrophobicContact CZ2-CG 4.45Å; W62-R83 HydrophobicContact CZ3-CB 3.63Å; W62-R83 HydrophobicContact CZ3-CG 4.07Å; R83-L85 PolarHBondContact O-N 2.87Å |
| 84 | Q | 46.3 | Very low | 44.4 | Very low | 78 Ų | 78 | 133.4 Ų | 133.4 | 36% | 0.364 | 69% | 0.689 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.5 | 102.9 | 173 | -69.6 | -81.9 | 34.6 | 0 | 0 | 109.5 | E63 R82 K86 | E63-Q84 PolarHBondContact OE2-NE2 3.49Å; R82-Q84 PolarHBondContact O-N 3.48Å; Q84-K86 PolarHBondContact O-N 3.49Å |
| 85 | L | 43.8 | Very low | 44.5 | Very low | 107 Ų | 107 | 135.2 Ų | 135.2 | 56% | 0.56 | 70% | 0.697 | S | S | * | * | trans | -80.4 | 95.7 | 172.4 | -176.1 | 65.7 | 0 | 0 | 0 | 109.3 | R83 N87 | R83-L85 PolarHBondContact O-N 2.87Å; L85-N87 VanDerWaalsContact C-N 3.29Å; L85-N87 WeakPolarHBondContact CG-OD1 3.25Å; L85-N87 PolarHBondContact O-N 2.92Å | ||
| 86 | K | 47 | Very low | 43.7 | Very low | 153 Ų | 153 | 135.9 Ų | 135.9 | 67% | 0.665 | 70% | 0.7 | S | S | * | * | trans | -79.9 | 74.5 | -176.5 | -160.4 | 169.3 | -167.7 | 168.1 | 0 | 111.2 | Q84 K88 | Q84-K86 PolarHBondContact O-N 3.49Å; K86-K88 PolarHBondContact O-N 2.85Å | ||
| 87 | N | 43.6 | Very low | 43 | Very low | 127 Ų | 127 | 131.7 Ų | 131.7 | 68% | 0.679 | 69% | 0.694 | S | S | * | * | trans | -62.7 | 93 | 174.2 | -78.6 | -8 | 0 | 0 | 0 | 110.8 | L85 C89 | L85-N87 VanDerWaalsContact C-N 3.29Å; L85-N87 WeakPolarHBondContact CG-OD1 3.25Å; L85-N87 PolarHBondContact O-N 2.92Å; N87-C89 PolarHBondContact O-N 3.18Å | ||
| 88 | K | 51.6 | Low | 41.9 | Very low | 190 Ų | 190 | 136.1 Ų | 136.1 | 83% | 0.826 | 71% | 0.708 | S | S | * | * | trans | -74.6 | 56.1 | 167.4 | -76.7 | -86 | -166.4 | 166.1 | 0 | 110.3 | K86 | K86-K88 PolarHBondContact O-N 2.85Š| ||
| 89 | C | 36.8 | Very low | 40.7 | Very low | 106 Ų | 106 | 131.9 Ų | 131.9 | 72% | 0.716 | 71% | 0.705 | S | S | * | * | trans | -148.9 | 98.5 | 172.4 | -157.9 | 0 | 0 | 0 | 0 | 111 | N87 | N87-C89 PolarHBondContact O-N 3.18Š| ||
| 90 | C | 35.1 | Very low | 40.1 | Very low | 117 Ų | 117 | 136.4 Ų | 136.4 | 79% | 0.791 | 72% | 0.721 | S | S | * | * | trans | 156.8 | 142.2 | 141.2 | -85.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 91 | P | 38.3 | Very low | 39.2 | Very low | 126 Ų | 126 | 140.2 Ų | 140.2 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | trans | -74.5 | 161.8 | 179.2 | 31.5 | -35 | 0 | 0 | 0 | 112.6 | ||||
| 92 | A | 34.2 | Very low | 38.7 | Very low | 84 Ų | 84 | 139.5 Ų | 139.5 | 69% | 0.694 | 74% | 0.742 | S | S | * | * | trans | -63.6 | 151.6 | -173 | 0 | 0 | 0 | 0 | 0 | 114.5 | R94 | A92-R94 PolarHBondContact O-N 3.38Å; A92-R94 VanDerWaalsContact O-N 3.1Å | ||
| 93 | P | 40 | Very low | 38.3 | Very low | 133 Ų | 133 | 141.6 Ų | 141.6 | 86% | 0.864 | 76% | 0.755 | S | S | * | * | trans | -72.5 | 103.5 | 175.4 | 30.3 | -33.8 | 0 | 0 | 0 | 110.7 | ||||
| 94 | R | 33.6 | Very low | 37.2 | Very low | 250 Ų | 250 | 144.6 Ų | 144.6 | 94% | 0.943 | 77% | 0.767 | S | S | * | * | trans | -73.4 | 127 | 171.1 | -73.8 | -173.5 | 171.6 | -167 | -2.2 | 110.3 | A92 | A92-R94 PolarHBondContact O-N 3.38Å; A92-R94 VanDerWaalsContact O-N 3.1Å | ||
| 95 | K | 44.3 | Very low | 36.5 | Very low | 207 Ų | 207 | 148.6 Ų | 148.6 | 90% | 0.9 | 79% | 0.789 | S | S | * | * | trans | -97.3 | 120.1 | 160.9 | -73.3 | -161.6 | 176.8 | -170.3 | 0 | 109.9 | ||||
| 96 | C | 29 | Very low | 36.1 | Very low | 136 Ų | 136 | 152.3 Ų | 152.3 | 92% | 0.919 | 80% | 0.801 | S | S | * | * | trans | -170.9 | 148.3 | 154.6 | -103.8 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 97 | G | 28.1 | Very low | 35.2 | Very low | 67 Ų | 67 | 152.9 Ų | 152.9 | 69% | 0.691 | 81% | 0.806 | S | S | * | * | cis | 136 | 78.2 | 13.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 98 | E | 28.1 | Very low | 34.7 | Very low | 195 Ų | 195 | 153.8 Ų | 153.8 | 91% | 0.911 | 80% | 0.804 | S | S | * | * | trans | 58.9 | 149.5 | 155.3 | -143.9 | 167.8 | -168.5 | 0 | 0 | 121.8 | ||||
| 99 | A | 29.9 | Very low | 33.6 | Very low | 83 Ų | 83 | 150.4 Ų | 150.4 | 69% | 0.686 | 79% | 0.794 | S | S | * | * | trans | 72.1 | 141.3 | 165.3 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 100 | K | 34.8 | Very low | 33.6 | Very low | 187 Ų | 187 | 152.1 Ų | 152.1 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | cis | -166.4 | 160 | -6.9 | -120.5 | 167.5 | -169 | 168.3 | 0 | 112.3 | ||||
| 101 | L | 33 | Very low | 33.7 | Very low | 163 Ų | 163 | 152.4 Ų | 152.4 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | trans | 66.3 | 161.5 | 161 | -62.3 | 165.3 | 0 | 0 | 0 | 116.9 | ||||
| 102 | S | 38.3 | Very low | 33.6 | Very low | 92 Ų | 92 | 152.7 Ų | 152.7 | 64% | 0.643 | 80% | 0.799 | S | S | * | * | cis | -162.7 | 152.6 | -29.5 | 56.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 103 | K | 34.8 | Very low | 33.5 | Very low | 200 Ų | 200 | 157.5 Ų | 157.5 | 87% | 0.87 | 81% | 0.81 | S | S | * | * | -170 | 166.5 | 76.4 | -89.1 | 174.7 | 179.2 | 170.7 | 0 | 111.1 | |||||
| 104 | R | 29.9 | Very low | 33.2 | Very low | 236 Ų | 236 | 160 Ų | 160 | 89% | 0.891 | 81% | 0.807 | S | S | * | * | trans | -31.5 | 150 | 173.3 | -66.2 | 176.3 | 175.4 | -160.1 | -1.2 | 115.8 | ||||
| 105 | L | 32.9 | Very low | 33.1 | Very low | 161 Ų | 161 | 152.4 Ų | 152.4 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | -156.8 | 160.8 | 62.3 | -166.5 | 63 | 0 | 0 | 0 | 115 | |||||
| 106 | K | 34.9 | Very low | 32.4 | Very low | 185 Ų | 185 | 148.2 Ų | 148.2 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -50.3 | 170.1 | -176.2 | -57 | -77.2 | -173.4 | 166.3 | 0 | 115.7 | ||||
| 107 | H | 27.3 | Very low | 32.6 | Very low | 165 Ų | 165 | 150.1 Ų | 150.1 | 76% | 0.764 | 79% | 0.785 | S | S | * | * | cis | -155.9 | 178.5 | 24.6 | -168.6 | 37.2 | 0 | 0 | 0 | 114 | ||||
| 108 | K | 33.5 | Very low | 32.8 | Very low | 147 Ų | 147 | 155.7 Ų | 155.7 | 64% | 0.639 | 79% | 0.793 | S | S | * | * | trans | -63.3 | 168.7 | 176.1 | -115.4 | 174.3 | 157.2 | -92.7 | 0 | 111.9 | ||||
| 109 | D | 29.8 | Very low | 32.9 | Very low | 118 Ų | 118 | 150.4 Ų | 150.4 | 63% | 0.631 | 78% | 0.782 | S | S | * | * | cis | -151.8 | 152.5 | 38.5 | -113.5 | -44.5 | 0 | 0 | 0 | 116.2 | ||||
| 110 | D | 36.2 | Very low | 32.9 | Very low | 143 Ų | 143 | 157.3 Ų | 157.3 | 77% | 0.765 | 79% | 0.79 | S | S | * | * | trans | -95.9 | 154.1 | 162.2 | -63.1 | -71.9 | 0 | 0 | 0 | 110.1 | ||||
| 111 | S | 37.5 | Very low | 32.8 | Very low | 123 Ų | 123 | 157.4 Ų | 157.4 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | -175.1 | 147.7 | 120 | 49.5 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 112 | V | 35.8 | Very low | 33 | Very low | 131 Ų | 131 | 160.4 Ų | 160.4 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | trans | -94.8 | 137.6 | 168.4 | 165.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 113 | M | 32.7 | Very low | 32.8 | Very low | 186 Ų | 186 | 162.8 Ų | 162.8 | 92% | 0.916 | 80% | 0.796 | S | S | * | * | trans | -140.9 | 164.5 | 153.4 | -96.1 | -160.3 | 70.7 | 0 | 0 | 112.7 | ||||
| 114 | K | 33.9 | Very low | 32.8 | Very low | 185 Ų | 185 | 158.1 Ų | 158.1 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -110.6 | 176 | -158.9 | -82.1 | -116.9 | -174.5 | 178.8 | 0 | 113.8 | ||||
| 115 | A | 30 | Very low | 33.2 | Very low | 90 Ų | 90 | 154.7 Ų | 154.7 | 74% | 0.744 | 79% | 0.787 | S | S | * | * | trans | 78.4 | 150.7 | 155.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 116 | T | 30.5 | Very low | 33.5 | Very low | 119 Ų | 119 | 152.2 Ų | 152.2 | 73% | 0.73 | 78% | 0.782 | S | S | * | * | cis | -158.7 | 156.1 | -0.5 | -103.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 117 | Q | 33.7 | Very low | 33.5 | Very low | 176 Ų | 176 | 149.1 Ų | 149.1 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | trans | 7.8 | 141.1 | 162.3 | -57.8 | 171 | 21.4 | 0 | 0 | 122.5 | ||||
| 118 | Q | 31.8 | Very low | 33.9 | Very low | 185 Ų | 185 | 151.3 Ų | 151.3 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | -172.9 | 155.3 | 110.5 | -108.4 | -172.6 | 6.1 | 0 | 0 | 116.5 | |||||
| 119 | A | 29.6 | Very low | 34 | Very low | 83 Ų | 83 | 149.8 Ų | 149.8 | 69% | 0.686 | 80% | 0.799 | S | S | * | * | trans | 60.5 | 115.5 | 153.2 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 120 | R | 31 | Very low | 34.3 | Very low | 228 Ų | 228 | 154.1 Ų | 154.1 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | 66.2 | 132.3 | 89 | -106 | -178.2 | 175.7 | -174 | 0.8 | 113.3 | |||||
| 121 | K | 31.9 | Very low | 34.2 | Very low | 189 Ų | 189 | 159 Ų | 159 | 82% | 0.822 | 82% | 0.82 | S | S | * | * | cis | -146.6 | 172.2 | 27.2 | -99 | -179.9 | 179.3 | 177.1 | 0 | 112.5 | ||||
| 122 | R | 36.5 | Very low | 34.5 | Very low | 227 Ų | 227 | 159.2 Ų | 159.2 | 86% | 0.857 | 82% | 0.819 | S | S | * | * | trans | -113.1 | 158.6 | -178.6 | -139.6 | -174.7 | -170.6 | 154.8 | 0.2 | 110.5 | ||||
| 123 | N | 33.9 | Very low | 34.5 | Very low | 141 Ų | 141 | 158.1 Ų | 158.1 | 75% | 0.754 | 82% | 0.824 | S | S | * | * | trans | 102.8 | 138 | 150.5 | -57.8 | -12.2 | 0 | 0 | 0 | 121.6 | ||||
| 124 | S | 36.6 | Very low | 34.2 | Very low | 102 Ų | 102 | 152.9 Ų | 152.9 | 71% | 0.713 | 82% | 0.817 | S | S | * | * | trans | -54.7 | 168.4 | 167.9 | 52.2 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 125 | I | 36.5 | Very low | 34.1 | Very low | 165 Ų | 165 | 153.3 Ų | 153.3 | 85% | 0.846 | 82% | 0.822 | S | S | * | * | -167.9 | 159.6 | 118.4 | -92.8 | 148.6 | 0 | 0 | 0 | 111 | |||||
| 126 | S | 39.1 | Very low | 34.2 | Very low | 108 Ų | 108 | 161 Ų | 161 | 76% | 0.755 | 83% | 0.831 | S | S | * | * | trans | -75.1 | 166 | -171.9 | 58.6 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 127 | S | 35.2 | Very low | 34.5 | Very low | 121 Ų | 121 | 166.7 Ų | 166.7 | 85% | 0.846 | 84% | 0.84 | S | S | * | * | trans | -152.1 | 154.5 | 136.1 | 62.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 128 | K | 36.3 | Very low | 35 | Very low | 210 Ų | 210 | 164 Ų | 164 | 91% | 0.913 | 84% | 0.837 | S | S | * | * | trans | -114 | 142.3 | 177.8 | -82.3 | 179.2 | 174 | 173.5 | 0 | 110.6 | ||||
| 129 | S | 36 | Very low | 35 | Very low | 115 Ų | 115 | 160.2 Ų | 160.2 | 80% | 0.804 | 84% | 0.837 | S | S | * | * | trans | -150 | 109.8 | 150.1 | 50.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 130 | K | 34.8 | Very low | 35 | Very low | 210 Ų | 210 | 160.2 Ų | 160.2 | 91% | 0.913 | 85% | 0.845 | S | S | * | * | 56.4 | 110.7 | 84 | -79.7 | -164.9 | 173.9 | -175.6 | 0 | 114.9 | |||||
| 131 | R | 35 | Very low | 35 | Very low | 245 Ų | 245 | 153 Ų | 153 | 93% | 0.925 | 84% | 0.842 | S | S | * | * | trans | -74.7 | 161 | 164.9 | -63.1 | 177.1 | 173.5 | 178.4 | -3.5 | 111.5 | ||||
| 132 | P | 43.6 | Very low | 35.4 | Very low | 127 Ų | 127 | 151.4 Ų | 151.4 | 83% | 0.825 | 84% | 0.841 | S | S | * | * | trans | -113 | 171.2 | 142.1 | 35.1 | -25.3 | 0 | 0 | 0 | 112.2 | ||||
| 133 | A | 35.4 | Very low | 35.5 | Very low | 109 Ų | 109 | 151.7 Ų | 151.7 | 90% | 0.901 | 84% | 0.842 | S | S | * | * | trans | -108.2 | 158.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 134 | G | 27.4 | Very low | 35.7 | Very low | 75 Ų | 75 | 154 Ų | 154 | 77% | 0.773 | 85% | 0.848 | S | S | * | * | trans | -171.9 | 148.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 135 | H | 31.4 | Very low | 36.1 | Very low | 194 Ų | 194 | 154.1 Ų | 154.1 | 90% | 0.898 | 85% | 0.849 | S | S | * | * | trans | -93.2 | 143.6 | -170.9 | -65.2 | -112.7 | 0 | 0 | 0 | 113.8 | ||||
| 136 | R | 31 | Very low | 36.7 | Very low | 251 Ų | 251 | 156.5 Ų | 156.5 | 95% | 0.947 | 85% | 0.853 | S | S | * | * | 168.4 | 143.3 | 125.6 | -96.2 | 175.8 | 170.6 | -179.8 | -3.4 | 112.6 | |||||
| 137 | R | 37.5 | Very low | 36.6 | Very low | 240 Ų | 240 | 159.8 Ų | 159.8 | 91% | 0.906 | 86% | 0.857 | S | S | * | * | trans | -86.4 | 165.7 | 157.4 | -91 | -177.8 | -179.7 | 174.9 | 0.7 | 108.2 | ||||
| 138 | P | 44.4 | Very low | 36.9 | Very low | 119 Ų | 119 | 158.9 Ų | 158.9 | 77% | 0.773 | 85% | 0.85 | S | S | * | * | cis | -148.8 | -171.3 | 37.1 | 43.4 | -22.6 | 0 | 0 | 0 | 118 | ||||
| 139 | A | 31.9 | Very low | 37.4 | Very low | 105 Ų | 105 | 155.1 Ų | 155.1 | 87% | 0.868 | 85% | 0.851 | S | S | * | * | trans | 74.5 | 129.4 | 154.8 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 140 | G | 29 | Very low | 38.1 | Very low | 83 Ų | 83 | 159.1 Ų | 159.1 | 86% | 0.856 | 85% | 0.853 | S | S | * | * | trans | 125.3 | 134 | 164.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 141 | G | 30.6 | Very low | 38.7 | Very low | 76 Ų | 76 | 157.1 Ų | 157.1 | 78% | 0.784 | 85% | 0.847 | S | S | * | * | trans | 105.1 | 78.2 | 159.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 142 | I | 41.8 | Very low | 39.5 | Very low | 157 Ų | 157 | 154.8 Ų | 154.8 | 81% | 0.805 | 84% | 0.844 | S | S | * | * | trans | 33.9 | 120.5 | 132.7 | -60.7 | 165 | 0 | 0 | 0 | 118 | E144 | I142-E144 PolarHBondContact O-N 3.26Š| ||
| 143 | R | 38.3 | Very low | 39.7 | Very low | 233 Ų | 233 | 157.1 Ų | 157.1 | 88% | 0.879 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -62 | 120.6 | 159.2 | -87.1 | -179.9 | 161.1 | -147.4 | 0.3 | 110.1 | ||
| 144 | E | 38.2 | Very low | 40.3 | Very low | 189 Ų | 189 | 158 Ų | 158 | 88% | 0.883 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 121 | 156.8 | -70.6 | -173.1 | 159.4 | 0 | 0 | 109.6 | I142 K146 | I142-E144 PolarHBondContact O-N 3.26Å; E144-K146 PolarHBondContact O-N 2.93Å |
| 145 | S | 45.4 | Very low | 41.6 | Very low | 104 Ų | 104 | 159.1 Ų | 159.1 | 73% | 0.727 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 121.1 | 176.4 | -68.3 | 0 | 0 | 0 | 0 | 110.6 | E147 | S145-E147 VanDerWaalsContact C-N 3.31Å; S145-E147 PolarHBondContact O-N 2.9Å |
| 146 | K | 49.3 | Very low | 42.8 | Very low | 215 Ų | 215 | 154.1 Ų | 154.1 | 94% | 0.935 | 81% | 0.805 | S | S | * | * | trans | -76.6 | 79.8 | 172.2 | -172.4 | 179.7 | -176.9 | 174.9 | 0 | 110 | E144 | E144-K146 PolarHBondContact O-N 2.93Š| ||
| 147 | E | 35.1 | Very low | 44.2 | Very low | 178 Ų | 178 | 150.6 Ų | 150.6 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | trans | -82 | 146.2 | -178.8 | -165 | 163.4 | -168.8 | 0 | 0 | 112.8 | S145 | S145-E147 VanDerWaalsContact C-N 3.31Å; S145-E147 PolarHBondContact O-N 2.9Å | ||
| 148 | S | 43.2 | Very low | 45.4 | Very low | 102 Ų | 102 | 144.4 Ų | 144.4 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | trans | -92.9 | 119.8 | -157.6 | 50.5 | 0 | 0 | 0 | 0 | 115.1 | K150 | S148-K150 PolarHBondContact O-N 3.45Š| ||
| 149 | S | 46.2 | Very low | 46.6 | Very low | 131 Ų | 131 | 142.6 Ų | 142.6 | 92% | 0.916 | 76% | 0.757 | S | S | * | * | trans | -81 | 68.7 | 171 | 49.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 150 | K | 50.4 | Low | 48.2 | Very low | 199 Ų | 199 | 142.2 Ų | 142.2 | 87% | 0.865 | 74% | 0.74 | S | S | * | * | trans | -138.8 | 21.6 | -177.5 | -144.8 | -171.7 | 175.4 | -175.8 | 0 | 117.8 | S148 | S148-K150 PolarHBondContact O-N 3.45Š| ||
| 151 | E | 48.1 | Very low | 50.2 | Low | 167 Ų | 167 | 144.7 Ų | 144.7 | 78% | 0.78 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -108.5 | -30.6 | -175 | -159.5 | 166.7 | -176.2 | 0 | 0 | 115.2 | K153 | E151-K153 VanDerWaalsContact C-N 3.27Å; E151-K153 PolarHBondContact O-N 3.27Å |
| 152 | K | 50.3 | Low | 52 | Low | 197 Ų | 197 | 145.6 Ų | 145.6 | 86% | 0.857 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | 18.9 | -167.9 | -61.5 | -171.2 | 176.7 | -176.4 | 0 | 116.9 | ||
| 153 | K | 49 | Very low | 53.2 | Low | 175 Ų | 175 | 143.6 Ų | 143.6 | 76% | 0.761 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119 | -7.3 | -176.9 | -149.6 | 179.6 | -177.8 | -178.1 | 0 | 114.8 | E151 | E151-K153 VanDerWaalsContact C-N 3.27Å; E151-K153 PolarHBondContact O-N 3.27Å |
| 154 | L | 47.6 | Very low | 54.6 | Low | 128 Ų | 128 | 140.8 Ų | 140.8 | 67% | 0.67 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | -49.2 | -177.5 | -140.3 | 159.8 | 0 | 0 | 0 | 110.9 | V156 R157 Q158 | L154-V156 VanDerWaalsContact C-N 3.34Å; L154-V156 PolarHBondContact O-N 3.05Å; L154-R157 PolarHBondContact O-N 2.77Å; L154-R157 VanDerWaalsContact O-N 3.13Å; L154-Q158 PolarHBondContact O-N 3.11Å |
| 155 | T | 55.2 | Low | 56.1 | Low | 98 Ų | 98 | 134.9 Ų | 134.9 | 60% | 0.601 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -58.3 | -36.6 | 177.9 | 27.1 | 0 | 0 | 0 | 0 | 114.6 | R157 Q158 D159 | T155-R157 VanDerWaalsContact C-N 3.28Å; T155-R157 PolarHBondContact O-N 2.77Å; T155-Q158 PolarHBondContact O-N 2.88Å; T155-D159 PolarHBondContact O-N 3.38Å; T155-D159 VanDerWaalsContact O-N 3.07Å |
| 156 | V | 56.2 | Low | 56.9 | Low | 90 Ų | 90 | 136.9 Ų | 136.9 | 55% | 0.545 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -69.8 | -24.1 | 179.6 | 178.8 | 0 | 0 | 0 | 0 | 112.7 | L154 L160 | L154-V156 VanDerWaalsContact C-N 3.34Å; L154-V156 PolarHBondContact O-N 3.05Å; V156-L160 WeakPolarHBondContact O-CD1 3.33Å |
| 157 | R | 59.5 | Low | 57.5 | Low | 177 Ų | 177 | 133.2 Ų | 133.2 | 67% | 0.668 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -77.9 | -44.2 | 172.5 | -79.5 | -174 | 160.7 | -172.4 | -9.9 | 111 | L154 T155 D159 L160 E161 | L154-R157 PolarHBondContact O-N 2.77Å; L154-R157 VanDerWaalsContact O-N 3.13Å; T155-R157 VanDerWaalsContact C-N 3.28Å; T155-R157 PolarHBondContact O-N 2.77Å; R157-D159 PolarHBondContact O-N 3.07Å; R157-L160 CarbonylContact O-C 3.59Å; R157-L160 WeakPolarHBondContact O-CA 3.45Å; R157-L160 WeakPolarHBondContact O-CB 3.49Å; R157-L160 PolarHBondContact O-N 2.78Å; R157-E161 PolarHBondContact O-N 3.17Å |
| 158 | Q | 64.6 | Low | 58.5 | Low | 109 Ų | 109 | 128.8 Ų | 128.8 | 51% | 0.509 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -60.1 | -46.2 | -179.2 | -149.5 | 149.8 | 7 | 0 | 0 | 111.8 | L154 T155 L160 E161 D162 | L154-Q158 PolarHBondContact O-N 3.11Å; T155-Q158 PolarHBondContact O-N 2.88Å; Q158-L160 PolarHBondContact O-N 2.98Å; Q158-E161 PolarHBondContact O-N 3.07Å; Q158-E161 VanDerWaalsContact O-N 3.11Å; Q158-D162 WeakPolarHBondContact O-CB 3.22Å; Q158-D162 PolarHBondContact O-N 3.44Å |
| 159 | D | 68.6 | Low | 58.8 | Low | 82 Ų | 82 | 127.8 Ų | 127.8 | 44% | 0.439 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -58.9 | -26.7 | 172.3 | 169.5 | 90.5 | 0 | 0 | 0 | 114.5 | T155 R157 R163 | T155-D159 PolarHBondContact O-N 3.38Å; T155-D159 VanDerWaalsContact O-N 3.07Å; R157-D159 PolarHBondContact O-N 3.07Å; D159-R163 WeakPolarHBondContact O-CG 3.17Å; D159-R163 PolarHBondContact O-N 3.33Å; D159-R163 PolarHBondContact O-NE 3.13Å; D159-R163 IonicContact OD1-NE 2.68Å; D159-R163 IonicContact OD2-CZ 3.25Å; D159-R163 IonicContact OD2-NE 3.83Å; D159-R163 PolarHBondContact OD2-NE 2.84Å; D159-R163 IonicContact OD2-NH2 3.68Å; D159-R163 PolarHBondContact OD2-NH2 3.3Å |
| 160 | L | 65.8 | Low | 59.1 | Low | 97 Ų | 97 | 125.5 Ų | 125.5 | 51% | 0.508 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -83.4 | -38.3 | 174.6 | -83.1 | 166.8 | 0 | 0 | 0 | 112.2 | V156 R157 Q158 Y164 | V156-L160 WeakPolarHBondContact O-CD1 3.33Å; R157-L160 CarbonylContact O-C 3.59Å; R157-L160 WeakPolarHBondContact O-CA 3.45Å; R157-L160 WeakPolarHBondContact O-CB 3.49Å; R157-L160 PolarHBondContact O-N 2.78Å; Q158-L160 PolarHBondContact O-N 2.98Å; L160-Y164 PolarHBondContact O-N 3.46Å; L160-Y164 VanDerWaalsContact O-N 3.17Å |
| 161 | E | 70.4 | Confident | 59.2 | Low | 134 Ų | 134 | 122 Ų | 122 | 63% | 0.626 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -62.7 | -47.4 | 173 | -112.7 | 97 | -139.8 | 0 | 0 | 110.6 | R157 Q158 R163 Y164 A165 | R157-E161 PolarHBondContact O-N 3.17Å; Q158-E161 PolarHBondContact O-N 3.07Å; Q158-E161 VanDerWaalsContact O-N 3.11Å; E161-R163 PolarHBondContact O-N 3.3Å; E161-Y164 WeakPolarHBondContact O-CA 3.43Å; E161-Y164 WeakPolarHBondContact O-CB 3.43Å; E161-Y164 PolarHBondContact O-N 3.33Å; E161-A165 PolarHBondContact O-N 3.27Å |
| 162 | D | 68.6 | Low | 59.5 | Low | 96 Ų | 96 | 122.6 Ų | 122.6 | 51% | 0.513 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -62.7 | -44.8 | -177.9 | -65.5 | -27.3 | 0 | 0 | 0 | 111.4 | Q158 Y164 A165 E166 | Q158-D162 WeakPolarHBondContact O-CB 3.22Å; Q158-D162 PolarHBondContact O-N 3.44Å; D162-Y164 VanDerWaalsContact C-N 3.25Å; D162-Y164 PolarHBondContact O-N 3.39Å; D162-A165 WeakPolarHBondContact O-CB 2.99Å; D162-A165 PolarHBondContact O-N 3.36Å; D162-E166 PolarHBondContact O-N 3.28Å; D162-E166 VanDerWaalsContact O-N 3.08Å |
| 163 | R | 68 | Low | 59.2 | Low | 114 Ų | 114 | 117.9 Ų | 117.9 | 43% | 0.43 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -66.8 | -23.9 | 173.7 | -74.1 | -173.9 | -70.8 | 131 | -6.5 | 113.5 | D159 E161 H167 | D159-R163 WeakPolarHBondContact O-CG 3.17Å; D159-R163 PolarHBondContact O-N 3.33Å; D159-R163 PolarHBondContact O-NE 3.13Å; D159-R163 IonicContact OD1-NE 2.68Å; D159-R163 IonicContact OD2-CZ 3.25Å; D159-R163 IonicContact OD2-NE 3.83Å; D159-R163 PolarHBondContact OD2-NE 2.84Å; D159-R163 IonicContact OD2-NH2 3.68Å; D159-R163 PolarHBondContact OD2-NH2 3.3Å; E161-R163 PolarHBondContact O-N 3.3Å; R163-H167 PolarHBondContact O-CD2 3.47Å |
| 164 | Y | 67.4 | Low | 59 | Low | 174 Ų | 174 | 117.3 Ų | 117.3 | 68% | 0.682 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -76 | -39.2 | 172.3 | -149.4 | -93.4 | 0 | 0 | 0 | 110.8 | L160 E161 D162 H167 V168 | L160-Y164 PolarHBondContact O-N 3.46Å; L160-Y164 VanDerWaalsContact O-N 3.17Å; E161-Y164 WeakPolarHBondContact O-CA 3.43Å; E161-Y164 WeakPolarHBondContact O-CB 3.43Å; E161-Y164 PolarHBondContact O-N 3.33Å; D162-Y164 VanDerWaalsContact C-N 3.25Å; D162-Y164 PolarHBondContact O-N 3.39Å; Y164-H167 PolarHBondContact O-N 3.06Å; Y164-V168 HydrophobicContact CD1-CG2 3.82Å; Y164-V168 HydrophobicContact CE1-CG2 3.88Å; Y164-V168 WeakPolarHBondContact O-CG2 3.37Å; Y164-V168 PolarHBondContact O-N 3.43Å; Y164-V168 VanDerWaalsContact O-N 3.13Å |
| 165 | A | 70 | Confident | 58.9 | Low | 65 Ų | 65 | 116.9 Ų | 116.9 | 54% | 0.537 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -61.7 | -44.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | E161 D162 H167 V168 | E161-A165 PolarHBondContact O-N 3.27Å; D162-A165 WeakPolarHBondContact O-CB 2.99Å; D162-A165 PolarHBondContact O-N 3.36Å; A165-H167 PolarHBondContact O-N 3.46Å; A165-V168 PolarHBondContact O-N 2.68Å |
| 166 | E | 61.8 | Low | 58.3 | Low | 147 Ų | 147 | 120.6 Ų | 120.6 | 69% | 0.687 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -60 | -30.9 | 176.4 | -75 | -169.1 | 142.6 | 0 | 0 | 113.3 | D162 | D162-E166 PolarHBondContact O-N 3.28Å; D162-E166 VanDerWaalsContact O-N 3.08Å |
| 167 | H | 62.3 | Low | 57.7 | Low | 137 Ų | 137 | 123.9 Ų | 123.9 | 63% | 0.634 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -90.8 | -17.7 | -178.1 | -67.7 | -36.1 | 0 | 0 | 0 | 114.6 | R163 Y164 A165 | R163-H167 PolarHBondContact O-CD2 3.47Å; Y164-H167 PolarHBondContact O-N 3.06Å; A165-H167 PolarHBondContact O-N 3.46Å |
| 168 | V | 54.7 | Low | 56.8 | Low | 86 Ų | 86 | 119.2 Ų | 119.2 | 52% | 0.521 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -75.2 | -29.5 | 177.1 | 167 | 0 | 0 | 0 | 0 | 112.4 | Y164 A165 A170 | Y164-V168 HydrophobicContact CD1-CG2 3.82Å; Y164-V168 HydrophobicContact CE1-CG2 3.88Å; Y164-V168 WeakPolarHBondContact O-CG2 3.37Å; Y164-V168 PolarHBondContact O-N 3.43Å; Y164-V168 VanDerWaalsContact O-N 3.13Å; A165-V168 PolarHBondContact O-N 2.68Å; V168-A170 VanDerWaalsContact C-N 3.28Å; V168-A170 PolarHBondContact O-N 3.21Å |
| 169 | A | 50.8 | Low | 55.5 | Low | 81 Ų | 81 | 118 Ų | 118 | 67% | 0.669 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -71.4 | -17.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | T171 | A169-T171 VanDerWaalsContact C-N 3.34Å; A169-T171 PolarHBondContact O-N 3.35Å |
| 170 | A | 52.6 | Low | 54.3 | Low | 83 Ų | 83 | 120.9 Ų | 120.9 | 69% | 0.686 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -79.9 | -5 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | V168 | V168-A170 VanDerWaalsContact C-N 3.28Å; V168-A170 PolarHBondContact O-N 3.21Å |
| 171 | T | 51.2 | Low | 53.1 | Low | 125 Ų | 125 | 120.7 Ų | 120.7 | 77% | 0.767 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -104.2 | 2.5 | -172.7 | -47.8 | 0 | 0 | 0 | 0 | 113.6 | A169 | A169-T171 VanDerWaalsContact C-N 3.34Å; A169-T171 PolarHBondContact O-N 3.35Å |
| 172 | Q | 55.3 | Low | 51.6 | Low | 180 Ų | 180 | 119.2 Ų | 119.2 | 84% | 0.841 | 71% | 0.713 | S | S | * | * | trans | -125.5 | 78.2 | 179.3 | -70.7 | -173.3 | 77.8 | 0 | 0 | 112.2 | ||||
| 173 | A | 43.3 | Very low | 50.2 | Low | 98 Ų | 98 | 126.6 Ų | 126.6 | 81% | 0.81 | 73% | 0.734 | S | S | * | * | trans | -146.2 | 66.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 174 | L | 45 | Very low | 49.4 | Very low | 162 Ų | 162 | 131.4 Ų | 131.4 | 85% | 0.848 | 76% | 0.758 | S | S | * | * | trans | -87.1 | 131.2 | 157.9 | -173.2 | 69.1 | 0 | 0 | 0 | 107.5 | Q176 | L174-Q176 PolarHBondContact O-N 2.92Å; L174-Q176 VanDerWaalsContact O-N 3.14Å | ||
| 175 | P | 46.1 | Very low | 47.8 | Very low | 120 Ų | 120 | 126.3 Ų | 126.3 | 78% | 0.779 | 76% | 0.759 | S | S | * | * | trans | -72.1 | 110.9 | -175.3 | -13.7 | 28.4 | 0 | 0 | 0 | 111.1 | D177 | P175-D177 PolarHBondContact O-N 3.31Š| ||
| 176 | Q | 42.2 | Very low | 46.9 | Very low | 175 Ų | 175 | 129.7 Ų | 129.7 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | -91.2 | 71.8 | 170 | -168.1 | 172.2 | 4.6 | 0 | 0 | 109.7 | L174 S178 | L174-Q176 PolarHBondContact O-N 2.92Å; L174-Q176 VanDerWaalsContact O-N 3.14Å; Q176-S178 PolarHBondContact O-N 3.41Å; Q176-S178 PolarHBondContact O-OG 2.97Å | ||
| 177 | D | 43.7 | Very low | 45.9 | Very low | 159 Ų | 159 | 128.6 Ų | 128.6 | 85% | 0.85 | 78% | 0.779 | S | S | * | * | trans | -65.5 | 131.2 | 169.5 | -166.7 | 2.4 | 0 | 0 | 0 | 109.5 | P175 | P175-D177 PolarHBondContact O-N 3.31Š| ||
| 178 | S | 39.4 | Very low | 45 | Very low | 80 Ų | 80 | 130 Ų | 130 | 56% | 0.559 | 79% | 0.79 | S | S | * | * | trans | -124.4 | 79.5 | -160.4 | -65 | 0 | 0 | 0 | 0 | 110.1 | Q176 T180 | Q176-S178 PolarHBondContact O-N 3.41Å; Q176-S178 PolarHBondContact O-OG 2.97Å; S178-T180 PolarHBondContact O-N 3.49Å | ||
| 179 | G | 38.9 | Very low | 44.6 | Very low | 83 Ų | 83 | 133 Ų | 133 | 86% | 0.856 | 80% | 0.802 | S | S | * | * | trans | -70.3 | 106.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 180 | T | 43.8 | Very low | 44.2 | Very low | 142 Ų | 142 | 133.3 Ų | 133.3 | 87% | 0.871 | 80% | 0.797 | S | S | * | * | trans | -70.2 | 130.6 | -177 | 40.5 | 0 | 0 | 0 | 0 | 114.8 | S178 | S178-T180 PolarHBondContact O-N 3.49Š| ||
| 181 | A | 38.7 | Very low | 43.5 | Very low | 94 Ų | 94 | 136.9 Ų | 136.9 | 78% | 0.777 | 80% | 0.8 | S | S | * | * | trans | -154.5 | 139.7 | 154.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 182 | A | 40.7 | Very low | 43.3 | Very low | 102 Ų | 102 | 136.4 Ų | 136.4 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | trans | 58.5 | 79.3 | 157.8 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 183 | W | 39.4 | Very low | 42.6 | Very low | 251 Ų | 251 | 136 Ų | 136 | 95% | 0.951 | 80% | 0.795 | S | S | * | * | trans | -82.3 | 114.5 | 157.3 | -70.2 | 17.5 | 0 | 0 | 0 | 111.6 | ||||
| 184 | K | 50 | Low | 42.5 | Very low | 215 Ų | 215 | 140 Ų | 140 | 94% | 0.935 | 79% | 0.794 | S | S | * | * | trans | -156.1 | 134 | 147.8 | -73.3 | -152.3 | -173.3 | -54.4 | 0 | 111.7 | ||||
| 185 | G | 34.7 | Very low | 42.3 | Very low | 68 Ų | 68 | 144 Ų | 144 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | trans | 129.7 | 93.2 | 165.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | V187 | G185-V187 PolarHBondContact O-N 2.99Š| ||
| 186 | P | 50.1 | Low | 42.3 | Very low | 136 Ų | 136 | 146.2 Ų | 146.2 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | trans | -85.6 | 104.9 | 168.8 | 32.4 | -28.7 | 0 | 0 | 0 | 110.2 | ||||
| 187 | V | 40.3 | Very low | 42.3 | Very low | 124 Ų | 124 | 146.9 Ų | 146.9 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | trans | -135.4 | 106.5 | 171.5 | -176.9 | 0 | 0 | 0 | 0 | 110.5 | G185 | G185-V187 PolarHBondContact O-N 2.99Š| ||
| 188 | L | 44.8 | Very low | 42.2 | Very low | 165 Ų | 165 | 146.8 Ų | 146.8 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | trans | 36.7 | 105.7 | 148.5 | -61.2 | 165.4 | 0 | 0 | 0 | 119.1 | ||||
| 189 | L | 46.3 | Very low | 42.7 | Very low | 151 Ų | 151 | 147.5 Ų | 147.5 | 79% | 0.791 | 81% | 0.805 | S | S | * | * | trans | -58.1 | 144.4 | 155.7 | -161.7 | -82.4 | 0 | 0 | 0 | 109.1 | ||||
| 190 | P | 42.2 | Very low | 43.3 | Very low | 87 Ų | 87 | 151.5 Ų | 151.5 | 57% | 0.565 | 80% | 0.801 | S | S | * | * | cis | -125.1 | 130.7 | 37.6 | 15 | 9.6 | 0 | 0 | 0 | 117.1 | T192 | P190-T192 HydrophobicContact CB-CG2 3.72Å; P190-T192 PolarHBondContact O-N 3.32Å | ||
| 191 | E | 37.9 | Very low | 44.1 | Very low | 157 Ų | 157 | 152 Ų | 152 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | trans | -81.3 | 51.7 | 160.4 | -160.2 | -176.7 | 168.8 | 0 | 0 | 111.3 | Q193 | E191-Q193 PolarHBondContact O-N 2.96Å; E191-Q193 VanDerWaalsContact O-N 3.11Å | ||
| 192 | T | 45.4 | Very low | 45.6 | Very low | 115 Ų | 115 | 151.8 Ų | 151.8 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | 45.7 | 178 | 51.3 | 0 | 0 | 0 | 0 | 112.1 | P190 | P190-T192 HydrophobicContact CB-CG2 3.72Å; P190-T192 PolarHBondContact O-N 3.32Å |
| 193 | Q | 41.7 | Very low | 47.7 | Very low | 173 Ų | 173 | 152.7 Ų | 152.7 | 81% | 0.808 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -154.9 | 28.4 | 178.1 | -127.4 | 170.3 | 18.3 | 0 | 0 | 116.5 | E191 | E191-Q193 PolarHBondContact O-N 2.96Å; E191-Q193 VanDerWaalsContact O-N 3.11Å |
| 194 | K | 41.2 | Very low | 50 | Low | 180 Ų | 180 | 145.5 Ų | 145.5 | 78% | 0.783 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -136.4 | 22.2 | 170.6 | -122.3 | 177.9 | -175.5 | 179.8 | 0 | 116.2 | ||
| 195 | R | 40.9 | Very low | 51.7 | Low | 247 Ų | 247 | 137.5 Ų | 137.5 | 93% | 0.932 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -111.7 | 11.4 | 172.2 | -130 | 177.6 | -165.8 | 153.7 | 4.5 | 113.9 | ||
| 196 | Q | 46.5 | Very low | 54.2 | Low | 167 Ų | 167 | 140.6 Ų | 140.6 | 78% | 0.78 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -121 | 55 | -178.1 | -69.5 | -177.5 | -40.8 | 0 | 0 | 111.4 | ||
| 197 | Q | 42.6 | Very low | 55.9 | Low | 189 Ų | 189 | 137.1 Ų | 137.1 | 88% | 0.883 | 71% | 0.714 | S | S | * | * | trans | -163 | 9.4 | 165.7 | -119.8 | 168.7 | 17.9 | 0 | 0 | 117 | S199 | Q197-S199 VanDerWaalsContact C-N 3.32Å; Q197-S199 PolarHBondContact O-N 3.37Å | ||
| 198 | L | 41.4 | Very low | 58.1 | Low | 156 Ų | 156 | 132.7 Ų | 132.7 | 82% | 0.817 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -75.9 | 101.3 | 139.6 | -148.8 | 81.5 | 0 | 0 | 0 | 104.5 | E200 | L198-E200 PolarHBondContact O-N 3.39Š|
| 199 | S | 48.2 | Very low | 60.3 | Low | 96 Ų | 96 | 127.6 Ų | 127.6 | 67% | 0.671 | 66% | 0.662 | S | S | * | * | trans | -58.1 | 112.6 | 156.3 | 48.9 | 0 | 0 | 0 | 0 | 104.9 | Q197 D201 | Q197-S199 VanDerWaalsContact C-N 3.32Å; Q197-S199 PolarHBondContact O-N 3.37Å; S199-D201 PolarHBondContact O-N 2.93Å | ||
| 200 | E | 53.1 | Low | 62.4 | Low | 166 Ų | 166 | 122.4 Ų | 122.4 | 78% | 0.776 | 64% | 0.637 | S | S | * | * | trans | -54.5 | 108.2 | 170.4 | -71.4 | 177.1 | 157.5 | 0 | 0 | 106 | L198 T202 | L198-E200 PolarHBondContact O-N 3.39Å; E200-T202 VanDerWaalsContact C-N 3.3Å; E200-T202 WeakPolarHBondContact O-CA 3.41Å; E200-T202 PolarHBondContact O-N 2.99Å; E200-T202 PolarHBondContact O-OG1 2.78Å | ||
| 201 | D | 59.9 | Low | 64.8 | Low | 154 Ų | 154 | 124.3 Ų | 124.3 | 82% | 0.824 | 64% | 0.638 | S | S | * | * | trans | -62.5 | 95.7 | -167.7 | -164.7 | 21.5 | 0 | 0 | 0 | 106.7 | S199 L203 | S199-D201 PolarHBondContact O-N 2.93Å; D201-L203 WeakPolarHBondContact O-CA 3.31Å; D201-L203 PolarHBondContact O-N 3.3Å | ||
| 202 | T | 70.2 | Confident | 67.4 | Low | 88 Ų | 88 | 118.1 Ų | 118.1 | 54% | 0.54 | 62% | 0.617 | S | S | . | * | trans | -72.2 | 100 | -141.7 | -57.5 | 0 | 0 | 0 | 0 | 108.6 | E200 T204 P209 | E200-T202 VanDerWaalsContact C-N 3.3Å; E200-T202 WeakPolarHBondContact O-CA 3.41Å; E200-T202 PolarHBondContact O-N 2.99Å; E200-T202 PolarHBondContact O-OG1 2.78Å; T202-T204 VanDerWaalsContact O-CG2 3.23Å; T202-T204 WeakPolarHBondContact O-CG2 3.46Å; T202-T204 PolarHBondContact O-N 3.38Å; T202-P209 HydrophobicContact CG2-CB 4.3Å | ||
| 203 | L | 84.4 | Confident | 69.6 | Low | 122 Ų | 122 | 115.2 Ų | 115.2 | 64% | 0.639 | 59% | 0.593 | S | S | * | * | trans | -49.9 | 106.4 | -155.5 | -171.1 | 100 | 0 | 0 | 0 | 110.9 | D201 I205 T210 | D201-L203 WeakPolarHBondContact O-CA 3.31Å; D201-L203 PolarHBondContact O-N 3.3Å; L203-I205 HydrophobicContact CD2-CD1 4.29Å; L203-I205 HydrophobicContact CD2-CG1 4.15Å; L203-T210 PolarHBondContact O-N 3.35Å; L203-T210 PolarHBondContact O-OG1 3.41Å | ||
| 204 | T | 89.1 | Confident | 72.1 | Confident | 99 Ų | 99 | 112 Ų | 112 | 61% | 0.607 | 58% | 0.578 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -88.7 | 121 | -176.1 | 58 | 0 | 0 | 0 | 0 | 110.3 | T202 L208 | T202-T204 VanDerWaalsContact O-CG2 3.23Å; T202-T204 WeakPolarHBondContact O-CG2 3.46Å; T202-T204 PolarHBondContact O-N 3.38Å; T204-L208 CarbonylContact C-O 3.43Å; T204-L208 WeakPolarHBondContact CA-O 3.45Å |
| 205 | I | 85.4 | Confident | 74.6 | Confident | 48 Ų | 48 | 106.3 Ų | 106.3 | 25% | 0.246 | 56% | 0.564 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.1 | 113.4 | 175.8 | -55.4 | 176.7 | 0 | 0 | 0 | 106.5 | L203 G207 L208 T210 Y213 | L203-I205 HydrophobicContact CD2-CD1 4.29Å; L203-I205 HydrophobicContact CD2-CG1 4.15Å; I205-G207 PolarHBondContact O-N 3.46Å; I205-L208 PolarHBondContact N-O 3.02Å; I205-L208 PolarHBondContact O-N 3.1Å; I205-L208 VanDerWaalsContact O-N 3.1Å; I205-T210 HydrophobicContact CD1-CG2 4.37Å; I205-Y213 HydrophobicContact CB-CD1 4.12Å; I205-Y213 HydrophobicContact CB-CD2 4.22Å; I205-Y213 HydrophobicContact CB-CG 3.82Å; I205-Y213 HydrophobicContact CD1-CD1 3.99Å; I205-Y213 HydrophobicContact CD1-CG 4.46Å; I205-Y213 HydrophobicContact CG2-CD1 3.72Å; I205-Y213 HydrophobicContact CG2-CD2 3.74Å; I205-Y213 HydrophobicContact CG2-CE1 3.91Å; I205-Y213 HydrophobicContact CG2-CE2 3.94Å; I205-Y213 HydrophobicContact CG2-CG 3.64Å |
| 206 | H | 86.9 | Confident | 77.2 | Confident | 132 Ų | 132 | 95.7 Ų | 95.7 | 61% | 0.611 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 34.5 | -175 | -58.6 | -65.9 | 0 | 0 | 0 | 114.5 | L208 Y213 L251 | H206-L208 VanDerWaalsContact C-N 3.29Å; H206-L208 PolarHBondContact O-N 3.26Å; H206-Y213 AromaticContact CD2-CE2 3.67Å; H206-L251 HydrophobicContact CB-CD1 4.36Å; H206-L251 HydrophobicContact CB-CD2 3.87Å |
| 207 | G | 85.4 | Confident | 79.5 | Confident | 64 Ų | 64 | 92.5 Ų | 92.5 | 66% | 0.66 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.6 | 4.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | I205 | I205-G207 PolarHBondContact O-N 3.46Š|
| 208 | L | 86.8 | Confident | 81.9 | Confident | 30 Ų | 30 | 87.1 Ų | 87.1 | 16% | 0.157 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 145.5 | 169.9 | -60.5 | 176.5 | 0 | 0 | 0 | 109.7 | T204 I205 H206 L216 L251 Q254 | T204-L208 CarbonylContact C-O 3.43Å; T204-L208 WeakPolarHBondContact CA-O 3.45Å; I205-L208 PolarHBondContact N-O 3.02Å; I205-L208 PolarHBondContact O-N 3.1Å; I205-L208 VanDerWaalsContact O-N 3.1Å; H206-L208 VanDerWaalsContact C-N 3.29Å; H206-L208 PolarHBondContact O-N 3.26Å; L208-L216 HydrophobicContact CD1-CD2 4.21Å; L208-L251 HydrophobicContact CD1-CD2 4.03Å; L208-Q254 HydrophobicContact CD1-CG 4.47Å; L208-Q254 HydrophobicContact CD2-CG 3.86Å |
| 209 | P | 91.4 | Very high | 84.5 | Confident | 59 Ų | 59 | 83 Ų | 83 | 38% | 0.383 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.7 | 155.5 | 165.6 | 28.9 | -35.2 | 0 | 0 | 0 | 109.8 | T202 E211 G212 Y213 | T202-P209 HydrophobicContact CG2-CB 4.3Å; P209-E211 PolarHBondContact O-N 2.93Å; P209-G212 WeakPolarHBondContact O-CA 3.42Å; P209-G212 PolarHBondContact O-N 3.28Å; P209-Y213 PolarHBondContact O-N 2.94Å |
| 210 | T | 91 | Very high | 86.7 | Confident | 42 Ų | 42 | 79.8 Ų | 79.8 | 26% | 0.258 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -55.3 | -39.1 | -173.5 | -72.8 | 0 | 0 | 0 | 0 | 112.6 | L203 I205 G212 Y213 Q214 | L203-T210 PolarHBondContact O-N 3.35Å; L203-T210 PolarHBondContact O-OG1 3.41Å; I205-T210 HydrophobicContact CD1-CG2 4.37Å; T210-G212 PolarHBondContact O-N 3.45Å; T210-Y213 PolarHBondContact O-N 2.92Å; T210-Q214 WeakPolarHBondContact O-CB 3.36Å; T210-Q214 PolarHBondContact O-N 3.48Å |
| 211 | E | 92.5 | Very high | 88.7 | Confident | 127 Ų | 127 | 72.1 Ų | 72.1 | 59% | 0.593 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -64.9 | -39.3 | 176.2 | -58.4 | 68.4 | -150.1 | 0 | 0 | 111.6 | P209 Q214 A215 | P209-E211 PolarHBondContact O-N 2.93Å; E211-Q214 PolarHBondContact O-N 3.27Å; E211-A215 WeakPolarHBondContact O-CB 3.38Å; E211-A215 PolarHBondContact O-N 2.89Å |
| 212 | G | 90.8 | Very high | 90.3 | Very high | 27 Ų | 27 | 69.1 Ų | 69.1 | 28% | 0.278 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -68.2 | -41.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | P209 T210 L216 | P209-G212 WeakPolarHBondContact O-CA 3.42Å; P209-G212 PolarHBondContact O-N 3.28Å; T210-G212 PolarHBondContact O-N 3.45Å; G212-L216 WeakPolarHBondContact O-CB 3.42Å; G212-L216 PolarHBondContact O-N 3.31Å |
| 213 | Y | 92.8 | Very high | 91.4 | Very high | 54 Ų | 54 | 69 Ų | 69 | 21% | 0.212 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -65.9 | -41.1 | 173 | -178.7 | -98.8 | 0 | 0 | 0 | 112 | I205 H206 P209 T210 L216 Y217 L251 | I205-Y213 HydrophobicContact CB-CD1 4.12Å; I205-Y213 HydrophobicContact CB-CD2 4.22Å; I205-Y213 HydrophobicContact CB-CG 3.82Å; I205-Y213 HydrophobicContact CD1-CD1 3.99Å; I205-Y213 HydrophobicContact CD1-CG 4.46Å; I205-Y213 HydrophobicContact CG2-CD1 3.72Å; I205-Y213 HydrophobicContact CG2-CD2 3.74Å; I205-Y213 HydrophobicContact CG2-CE1 3.91Å; I205-Y213 HydrophobicContact CG2-CE2 3.94Å; I205-Y213 HydrophobicContact CG2-CG 3.64Å; H206-Y213 AromaticContact CD2-CE2 3.67Å; P209-Y213 PolarHBondContact O-N 2.94Å; T210-Y213 PolarHBondContact O-N 2.92Å; Y213-L216 PolarHBondContact O-N 2.85Å; Y213-Y217 WeakPolarHBondContact O-CB 3.42Å; Y213-Y217 PolarHBondContact O-N 3.22Å; Y213-L251 HydrophobicContact CD2-CD2 4.18Å; Y213-L251 HydrophobicContact CE2-CD1 4.42Å; Y213-L251 HydrophobicContact CE2-CD2 4.26Å |
| 214 | Q | 93.9 | Very high | 91.9 | Very high | 106 Ų | 106 | 65 Ų | 65 | 50% | 0.495 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.4 | -48.6 | 175.5 | 178.7 | 170.5 | 3.5 | 0 | 0 | 111.2 | T210 E211 L216 Y217 H218 | T210-Q214 WeakPolarHBondContact O-CB 3.36Å; T210-Q214 PolarHBondContact O-N 3.48Å; E211-Q214 PolarHBondContact O-N 3.27Å; Q214-L216 VanDerWaalsContact C-N 3.33Å; Q214-L216 PolarHBondContact O-N 2.82Å; Q214-Y217 WeakPolarHBondContact O-CB 3.42Å; Q214-Y217 PolarHBondContact O-N 2.88Å; Q214-Y217 VanDerWaalsContact O-N 3.11Å; Q214-H218 VanDerWaalsContact CG-CD2 3.49Å; Q214-H218 WeakPolarHBondContact CG-CD2 3.39Å; Q214-H218 PolarHBondContact NE2-NE2 3.01Å; Q214-H218 PolarHBondContact O-CD2 3.23Å; Q214-H218 PolarHBondContact O-N 2.79Å |
| 215 | A | 93.6 | Very high | 92.1 | Very high | 59 Ų | 59 | 63.2 Ų | 63.2 | 49% | 0.488 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -58.6 | -43.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | E211 Y217 H218 A219 | E211-A215 WeakPolarHBondContact O-CB 3.38Å; E211-A215 PolarHBondContact O-N 2.89Å; A215-Y217 VanDerWaalsContact C-N 3.35Å; A215-Y217 PolarHBondContact O-N 3.47Å; A215-H218 PolarHBondContact O-N 2.96Å; A215-A219 VanDerWaalsContact O-CB 3.28Å; A215-A219 WeakPolarHBondContact O-CB 3.34Å; A215-A219 PolarHBondContact O-N 3.36Å |
| 216 | L | 94.6 | Very high | 92.6 | Very high | 25 Ų | 25 | 66.8 Ų | 66.8 | 13% | 0.131 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -59.2 | -45 | 173.6 | -168.1 | 89.9 | 0 | 0 | 0 | 111.5 | L208 G212 Y213 Q214 A219 V220 A250 L251 | L208-L216 HydrophobicContact CD1-CD2 4.21Å; G212-L216 WeakPolarHBondContact O-CB 3.42Å; G212-L216 PolarHBondContact O-N 3.31Å; Y213-L216 PolarHBondContact O-N 2.85Å; Q214-L216 VanDerWaalsContact C-N 3.33Å; Q214-L216 PolarHBondContact O-N 2.82Å; L216-A219 PolarHBondContact O-N 3.17Å; L216-V220 WeakPolarHBondContact O-CB 3.32Å; L216-V220 WeakPolarHBondContact O-CG2 3.43Å; L216-V220 PolarHBondContact O-N 3.34Å; L216-A250 HydrophobicContact CD1-CB 4.08Å; L216-A250 HydrophobicContact CD2-CB 4.35Å; L216-A250 HydrophobicContact CG-CB 4.36Å; L216-L251 HydrophobicContact CD2-CD2 3.48Å; L216-L251 VanDerWaalsContact CD2-CD2 3.48Å; L216-L251 HydrophobicContact CD2-CG 3.74Å |
| 217 | Y | 94.9 | Very high | 92.8 | Very high | 100 Ų | 100 | 63.1 Ų | 63.1 | 39% | 0.392 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.5 | -49.7 | 179.2 | -172.2 | -85.7 | 0 | 0 | 0 | 111.5 | Y213 Q214 A215 A219 V220 V221 L247 | Y213-Y217 WeakPolarHBondContact O-CB 3.42Å; Y213-Y217 PolarHBondContact O-N 3.22Å; Q214-Y217 WeakPolarHBondContact O-CB 3.42Å; Q214-Y217 PolarHBondContact O-N 2.88Å; Q214-Y217 VanDerWaalsContact O-N 3.11Å; A215-Y217 VanDerWaalsContact C-N 3.35Å; A215-Y217 PolarHBondContact O-N 3.47Å; Y217-A219 PolarHBondContact O-N 3.04Å; Y217-V220 PolarHBondContact O-N 3.26Å; Y217-V221 HydrophobicContact CD1-CB 4.2Å; Y217-V221 HydrophobicContact CD1-CG2 4.07Å; Y217-V221 HydrophobicContact CD2-CG2 3.93Å; Y217-V221 HydrophobicContact CE1-CB 3.95Å; Y217-V221 HydrophobicContact CE1-CG1 4.01Å; Y217-V221 HydrophobicContact CE1-CG2 3.92Å; Y217-V221 HydrophobicContact CE2-CG2 3.79Å; Y217-V221 HydrophobicContact CG-CG2 4.07Å; Y217-V221 WeakPolarHBondContact O-CB 3.41Å; Y217-V221 VanDerWaalsContact O-CG2 3.22Å; Y217-V221 WeakPolarHBondContact O-CG2 3.14Å; Y217-V221 PolarHBondContact O-N 3.35Å; Y217-L247 HydrophobicContact CD2-CD1 3.99Å; Y217-L247 HydrophobicContact CD2-CD2 4.08Å; Y217-L247 HydrophobicContact CE2-CD1 3.92Å |
| 218 | H | 94.8 | Very high | 93 | Very high | 75 Ų | 75 | 66.9 Ų | 66.9 | 35% | 0.347 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.9 | -47.4 | 177.1 | -71.7 | -78.2 | 0 | 0 | 0 | 111.6 | Q214 A215 V220 V221 E222 | Q214-H218 VanDerWaalsContact CG-CD2 3.49Å; Q214-H218 WeakPolarHBondContact CG-CD2 3.39Å; Q214-H218 PolarHBondContact NE2-NE2 3.01Å; Q214-H218 PolarHBondContact O-CD2 3.23Å; Q214-H218 PolarHBondContact O-N 2.79Å; A215-H218 PolarHBondContact O-N 2.96Å; H218-V220 VanDerWaalsContact C-N 3.31Å; H218-V220 PolarHBondContact O-N 3.08Å; H218-V221 PolarHBondContact O-N 3.26Å; H218-E222 HydrophobicContact CB-CG 4.44Å; H218-E222 IonicContact CE1-OE1 2.67Å; H218-E222 IonicContact CG-OE1 2.74Å; H218-E222 IonicContact ND1-OE1 3.37Å; H218-E222 PolarHBondContact ND1-OE1 3.48Å; H218-E222 WeakPolarHBondContact O-CB 3.45Å; H218-E222 WeakPolarHBondContact O-CG 3.35Å; H218-E222 PolarHBondContact O-N 3.13Å |
| 219 | A | 94.5 | Very high | 93.2 | Very high | 71 Ų | 71 | 69.7 Ų | 69.7 | 59% | 0.587 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -60 | -36.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | A215 L216 Y217 P223 | A215-A219 VanDerWaalsContact O-CB 3.28Å; A215-A219 WeakPolarHBondContact O-CB 3.34Å; A215-A219 PolarHBondContact O-N 3.36Å; L216-A219 PolarHBondContact O-N 3.17Å; Y217-A219 PolarHBondContact O-N 3.04Å; A219-P223 WeakPolarHBondContact O-CD 3.35Å; A219-P223 WeakPolarHBondContact O-CG 3.33Å |
| 220 | V | 94.8 | Very high | 93.2 | Very high | 28 Ų | 28 | 69.3 Ų | 69.3 | 17% | 0.17 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -86.1 | -43.2 | 179.3 | 174.4 | 0 | 0 | 0 | 0 | 112.1 | L216 Y217 H218 M224 K246 L247 A250 | L216-V220 WeakPolarHBondContact O-CB 3.32Å; L216-V220 WeakPolarHBondContact O-CG2 3.43Å; L216-V220 PolarHBondContact O-N 3.34Å; Y217-V220 PolarHBondContact O-N 3.26Å; H218-V220 VanDerWaalsContact C-N 3.31Å; H218-V220 PolarHBondContact O-N 3.08Å; V220-M224 WeakPolarHBondContact O-CG 3.45Å; V220-K246 HydrophobicContact CG1-CB 3.67Å; V220-L247 HydrophobicContact CB-CD2 3.92Å; V220-L247 HydrophobicContact CB-CG 4.48Å; V220-L247 HydrophobicContact CG1-CD2 3.95Å; V220-L247 HydrophobicContact CG1-CG 3.97Å; V220-L247 HydrophobicContact CG2-CD2 4.43Å; V220-A250 HydrophobicContact CG2-CB 3.87Å |
| 221 | V | 94.9 | Very high | 93.3 | Very high | 4 Ų | 4 | 70.4 Ų | 70.4 | 2% | 0.024 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -86.7 | -38.1 | -167.1 | -178.3 | 0 | 0 | 0 | 0 | 112.4 | Y217 H218 M224 L225 I243 L247 | Y217-V221 HydrophobicContact CD1-CB 4.2Å; Y217-V221 HydrophobicContact CD1-CG2 4.07Å; Y217-V221 HydrophobicContact CD2-CG2 3.93Å; Y217-V221 HydrophobicContact CE1-CB 3.95Å; Y217-V221 HydrophobicContact CE1-CG1 4.01Å; Y217-V221 HydrophobicContact CE1-CG2 3.92Å; Y217-V221 HydrophobicContact CE2-CG2 3.79Å; Y217-V221 HydrophobicContact CG-CG2 4.07Å; Y217-V221 WeakPolarHBondContact O-CB 3.41Å; Y217-V221 VanDerWaalsContact O-CG2 3.22Å; Y217-V221 WeakPolarHBondContact O-CG2 3.14Å; Y217-V221 PolarHBondContact O-N 3.35Å; H218-V221 PolarHBondContact O-N 3.26Å; V221-M224 PolarHBondContact O-N 3.25Å; V221-M224 VanDerWaalsContact O-N 3.15Å; V221-L225 HydrophobicContact CG1-CD1 3.67Å; V221-L225 HydrophobicContact CG1-CG 3.89Å; V221-L225 WeakPolarHBondContact O-CG 3.48Å; V221-L225 PolarHBondContact O-N 3.17Å; V221-I243 HydrophobicContact CG1-CD1 4.33Å; V221-I243 HydrophobicContact CG1-CG2 4.36Å; V221-I243 HydrophobicContact CG2-CG2 3.94Å; V221-L247 HydrophobicContact CG2-CD1 3.83Å; V221-L247 HydrophobicContact CG2-CD2 4Å; V221-L247 HydrophobicContact CG2-CG 4.06Å |
| 222 | E | 93.4 | Very high | 93.3 | Very high | 91 Ų | 91 | 68.8 Ų | 68.8 | 43% | 0.425 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -61.4 | -49.7 | -178 | -66.3 | -175.4 | 174.6 | 0 | 0 | 112.7 | H218 M224 L225 W226 | H218-E222 HydrophobicContact CB-CG 4.44Å; H218-E222 IonicContact CE1-OE1 2.67Å; H218-E222 IonicContact CG-OE1 2.74Å; H218-E222 IonicContact ND1-OE1 3.37Å; H218-E222 PolarHBondContact ND1-OE1 3.48Å; H218-E222 WeakPolarHBondContact O-CB 3.45Å; H218-E222 WeakPolarHBondContact O-CG 3.35Å; H218-E222 PolarHBondContact O-N 3.13Å; E222-M224 PolarHBondContact O-N 3.05Å; E222-L225 PolarHBondContact O-N 2.93Å; E222-W226 PolarHBondContact O-N 3.34Å |
| 223 | P | 93.4 | Very high | 93.5 | Very high | 86 Ų | 86 | 70.9 Ų | 70.9 | 56% | 0.558 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -59 | -26.3 | 177.6 | -23.7 | 35.3 | 0 | 0 | 0 | 113.3 | A219 K233 | A219-P223 WeakPolarHBondContact O-CD 3.35Å; A219-P223 WeakPolarHBondContact O-CG 3.33Å; P223-K233 PolarHBondContact O-NZ 3.47Å |
| 224 | M | 94.5 | Very high | 93.6 | Very high | 38 Ų | 38 | 79.6 Ų | 79.6 | 19% | 0.187 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -80.1 | -31.5 | 176.3 | -62.3 | -170.1 | 76 | 0 | 0 | 112.8 | V220 V221 E222 K233 L239 A242 I243 K246 | V220-M224 WeakPolarHBondContact O-CG 3.45Å; V221-M224 PolarHBondContact O-N 3.25Å; V221-M224 VanDerWaalsContact O-N 3.15Å; E222-M224 PolarHBondContact O-N 3.05Å; M224-K233 WeakPolarHBondContact O-CD 3.3Å; M224-K233 PolarHBondContact O-NZ 3.02Å; M224-K233 VanDerWaalsContact O-NZ 3.15Å; M224-L239 HydrophobicContact CB-CD1 4.2Å; M224-L239 HydrophobicContact CE-CD1 4.49Å; M224-L239 WeakPolarHBondContact O-CD1 3.48Å; M224-A242 HydrophobicContact CE-CB 3.49Å; M224-A242 VanDerWaalsContact CE-CB 3.49Å; M224-I243 HydrophobicContact CB-CD1 4.45Å; M224-I243 HydrophobicContact CB-CG1 3.93Å; M224-I243 HydrophobicContact CE-CG1 4.12Å; M224-I243 HydrophobicContact SD-CG1 3.93Å; M224-K246 HydrophobicContact CE-CG 4.28Å; M224-K246 HydrophobicContact SD-CB 3.96Å; M224-K246 HydrophobicContact SD-CG 3.94Å |
| 225 | L | 94.9 | Very high | 93.7 | Very high | 62 Ų | 62 | 82.4 Ų | 82.4 | 33% | 0.325 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -82.4 | -20.2 | 177.2 | -69.5 | -178.4 | 0 | 0 | 0 | 114.4 | V221 E222 K233 L239 I243 | V221-L225 HydrophobicContact CG1-CD1 3.67Å; V221-L225 HydrophobicContact CG1-CG 3.89Å; V221-L225 WeakPolarHBondContact O-CG 3.48Å; V221-L225 PolarHBondContact O-N 3.17Å; E222-L225 PolarHBondContact O-N 2.93Å; L225-K233 WeakPolarHBondContact O-CB 3.47Å; L225-K233 PolarHBondContact O-N 3.36Å; L225-L239 HydrophobicContact CD2-CD2 4.28Å; L225-I243 HydrophobicContact CD2-CD1 3.91Å; L225-I243 HydrophobicContact CG-CD1 4.44Å |
| 226 | W | 94.5 | Very high | 93.8 | Very high | 123 Ų | 123 | 82 Ų | 82 | 47% | 0.466 | 44% | 0.437 | S | S | . | . | B | Isolated β-bridge | trans | -105.3 | 146.7 | 178.6 | -63.1 | 100.2 | 0 | 0 | 0 | 112.5 | E222 G230 P232 K233 | E222-W226 PolarHBondContact O-N 3.34Å; W226-G230 VanDerWaalsContact CE3-O 3.26Å; W226-G230 VanDerWaalsContact CZ3-O 3.25Å; W226-G230 WeakPolarHBondContact CZ3-O 3.23Å; W226-P232 HydrophobicContact CE3-CB 4.49Å; W226-P232 HydrophobicContact CE3-CG 4.05Å; W226-P232 HydrophobicContact CH2-CG 3.94Å; W226-P232 HydrophobicContact CZ3-CB 4.39Å; W226-P232 HydrophobicContact CZ3-CG 3.53Å; W226-K233 WeakPolarHBondContact O-CE 3.42Å; W226-K233 PolarHBondContact O-NZ 3.09Å |
| 227 | N | 92.4 | Very high | 93.9 | Very high | 55 Ų | 55 | 87 Ų | 87 | 29% | 0.294 | 46% | 0.463 | S | S | . | . | trans | -80.6 | 159.6 | 166.8 | -70.8 | -51 | 0 | 0 | 0 | 110.7 | S229 G230 T231 K233 | N227-S229 WeakPolarHBondContact CB-OG 3.41Å; N227-S229 PolarHBondContact O-N 3.43Å; N227-G230 PolarHBondContact O-N 2.68Å; N227-T231 WeakPolarHBondContact CB-O 3.18Å; N227-T231 PolarHBondContact N-O 3.24Å; N227-T231 PolarHBondContact ND2-O 3.3Å; N227-T231 PolarHBondContact ND2-OG1 3.01Å; N227-K233 VanDerWaalsContact OD1-CE 3.25Å; N227-K233 WeakPolarHBondContact OD1-CE 3.41Å; N227-K233 WeakPolarHBondContact OD1-CG 3.43Å | ||
| 228 | P | 89.3 | Confident | 94 | Very high | 142 Ų | 142 | 89.6 Ų | 89.6 | 92% | 0.922 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -22.1 | 170.8 | -24.5 | 34.7 | 0 | 0 | 0 | 113.9 | G230 | P228-G230 PolarHBondContact O-N 3Š|
| 229 | S | 90.1 | Very high | 94.1 | Very high | 90 Ų | 90 | 87.2 Ų | 87.2 | 63% | 0.629 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | 8.4 | 173.1 | 56.8 | 0 | 0 | 0 | 0 | 114.6 | N227 T231 | N227-S229 WeakPolarHBondContact CB-OG 3.41Å; N227-S229 PolarHBondContact O-N 3.43Å; S229-T231 PolarHBondContact O-N 3.14Å; S229-T231 PolarHBondContact OG-OG1 2.96Å; S229-T231 VanDerWaalsContact OG-OG1 3.09Å |
| 230 | G | 91.1 | Very high | 94.2 | Very high | 50 Ų | 50 | 84.1 Ų | 84.1 | 52% | 0.515 | 44% | 0.444 | S | S | . | . | S | Bend | trans | 68.9 | 12.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | W226 N227 P228 | W226-G230 VanDerWaalsContact CE3-O 3.26Å; W226-G230 VanDerWaalsContact CZ3-O 3.25Å; W226-G230 WeakPolarHBondContact CZ3-O 3.23Å; N227-G230 PolarHBondContact O-N 2.68Å; P228-G230 PolarHBondContact O-N 3Å |
| 231 | T | 92.9 | Very high | 94.3 | Very high | 66 Ų | 66 | 89.3 Ų | 89.3 | 41% | 0.405 | 46% | 0.464 | S | S | . | . | P | Polyproline II helix | trans | -94.2 | 141.4 | 176.8 | 55.9 | 0 | 0 | 0 | 0 | 111.4 | N227 S229 K233 | N227-T231 WeakPolarHBondContact CB-O 3.18Å; N227-T231 PolarHBondContact N-O 3.24Å; N227-T231 PolarHBondContact ND2-O 3.3Å; N227-T231 PolarHBondContact ND2-OG1 3.01Å; S229-T231 PolarHBondContact O-N 3.14Å; S229-T231 PolarHBondContact OG-OG1 2.96Å; S229-T231 VanDerWaalsContact OG-OG1 3.09Å; T231-K233 PolarHBondContact O-N 2.86Å |
| 232 | P | 94.3 | Very high | 94.4 | Very high | 92 Ų | 92 | 91 Ų | 91 | 60% | 0.597 | 48% | 0.479 | S | S | * | . | B | Isolated β-bridge | trans | -62.1 | 132.9 | 173.9 | -19.6 | 30.6 | 0 | 0 | 0 | 111.1 | W226 | W226-P232 HydrophobicContact CE3-CB 4.49Å; W226-P232 HydrophobicContact CE3-CG 4.05Å; W226-P232 HydrophobicContact CH2-CG 3.94Å; W226-P232 HydrophobicContact CZ3-CB 4.39Å; W226-P232 HydrophobicContact CZ3-CG 3.53Å |
| 233 | K | 94.4 | Very high | 94.5 | Very high | 71 Ų | 71 | 87.4 Ų | 87.4 | 31% | 0.309 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -71.7 | 144.4 | 169.7 | -76.1 | 158.6 | 173.3 | 156.7 | 0 | 109.8 | P223 M224 L225 W226 N227 T231 Y235 L239 | P223-K233 PolarHBondContact O-NZ 3.47Å; M224-K233 WeakPolarHBondContact O-CD 3.3Å; M224-K233 PolarHBondContact O-NZ 3.02Å; M224-K233 VanDerWaalsContact O-NZ 3.15Å; L225-K233 WeakPolarHBondContact O-CB 3.47Å; L225-K233 PolarHBondContact O-N 3.36Å; W226-K233 WeakPolarHBondContact O-CE 3.42Å; W226-K233 PolarHBondContact O-NZ 3.09Å; N227-K233 VanDerWaalsContact OD1-CE 3.25Å; N227-K233 WeakPolarHBondContact OD1-CE 3.41Å; N227-K233 WeakPolarHBondContact OD1-CG 3.43Å; T231-K233 PolarHBondContact O-N 2.86Å; K233-Y235 PolarHBondContact O-N 3.49Å; K233-L239 HydrophobicContact CB-CD2 4.31Å |
| 234 | R | 94.5 | Very high | 94.6 | Very high | 237 Ų | 237 | 90.8 Ų | 90.8 | 89% | 0.894 | 47% | 0.468 | S | S | * | . | P | Polyproline II helix | trans | -68.3 | 132.4 | 167.7 | -68.1 | -173.5 | 178.8 | -174 | 0.4 | 108.9 | S236 | R234-S236 PolarHBondContact O-N 2.88Š|
| 235 | Y | 95.1 | Very high | 94.7 | Very high | 165 Ų | 165 | 93.9 Ų | 93.9 | 65% | 0.647 | 48% | 0.482 | S | S | * | . | P | Polyproline II helix | trans | -64.7 | 129.6 | 175.5 | -171.2 | -97.3 | 0 | 0 | 0 | 110.6 | K233 G240 | K233-Y235 PolarHBondContact O-N 3.49Å; Y235-G240 WeakPolarHBondContact OH-CA 3.45Å |
| 236 | S | 95.6 | Very high | 94.8 | Very high | 51 Ų | 51 | 95.9 Ų | 95.9 | 36% | 0.357 | 49% | 0.488 | S | S | . | . | trans | -128.2 | 161.1 | 174.6 | 77.4 | 0 | 0 | 0 | 0 | 110 | R234 E238 L239 G240 | R234-S236 PolarHBondContact O-N 2.88Å; S236-E238 PolarHBondContact O-N 2.98Å; S236-L239 PolarHBondContact O-N 3.09Å; S236-L239 WeakPolarHBondContact OG-CB 3.37Å; S236-L239 PolarHBondContact OG-N 3.37Å; S236-G240 PolarHBondContact O-N 2.97Å | ||
| 237 | L | 97.6 | Very high | 94.8 | Very high | 129 Ų | 129 | 91 Ų | 91 | 68% | 0.675 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -61.8 | -35.2 | 176.8 | -178.4 | 61.6 | 0 | 0 | 0 | 111.9 | G240 K241 | L237-G240 PolarHBondContact O-N 3.11Å; L237-K241 WeakPolarHBondContact O-CG 3.36Å; L237-K241 PolarHBondContact O-N 3.48Å |
| 238 | E | 96.9 | Very high | 94.9 | Very high | 156 Ų | 156 | 96 Ų | 96 | 73% | 0.729 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -67.1 | -44.4 | 176.1 | -64.4 | 175.7 | 168.5 | 0 | 0 | 111.4 | S236 G240 K241 A242 | S236-E238 PolarHBondContact O-N 2.98Å; E238-G240 VanDerWaalsContact C-N 3.33Å; E238-G240 PolarHBondContact O-N 3.13Å; E238-K241 PolarHBondContact O-N 3.36Å; E238-A242 WeakPolarHBondContact O-CB 3.34Å; E238-A242 PolarHBondContact O-N 3.2Å |
| 239 | L | 96.6 | Very high | 95.2 | Very high | 24 Ų | 24 | 92.7 Ų | 92.7 | 13% | 0.126 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -60.5 | -43.5 | 174.5 | -179.1 | 59.8 | 0 | 0 | 0 | 111.2 | M224 L225 K233 S236 K241 A242 I243 | M224-L239 HydrophobicContact CB-CD1 4.2Å; M224-L239 HydrophobicContact CE-CD1 4.49Å; M224-L239 WeakPolarHBondContact O-CD1 3.48Å; L225-L239 HydrophobicContact CD2-CD2 4.28Å; K233-L239 HydrophobicContact CB-CD2 4.31Å; S236-L239 PolarHBondContact O-N 3.09Å; S236-L239 WeakPolarHBondContact OG-CB 3.37Å; S236-L239 PolarHBondContact OG-N 3.37Å; L239-K241 PolarHBondContact O-N 3.23Å; L239-A242 PolarHBondContact O-N 3.1Å; L239-I243 HydrophobicContact CD1-CD1 4.04Å; L239-I243 HydrophobicContact CD1-CG1 4.25Å; L239-I243 HydrophobicContact CG-CD1 3.86Å; L239-I243 HydrophobicContact CG-CG1 4.49Å; L239-I243 WeakPolarHBondContact O-CB 3.39Å; L239-I243 VanDerWaalsContact O-CG1 3.32Å; L239-I243 WeakPolarHBondContact O-CG1 3.46Å; L239-I243 PolarHBondContact O-N 3.13Å |
| 240 | G | 96.7 | Very high | 95.4 | Very high | 6 Ų | 6 | 89.4 Ų | 89.4 | 6% | 0.062 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -61.8 | -38 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y235 S236 L237 E238 K244 | Y235-G240 WeakPolarHBondContact OH-CA 3.45Å; S236-G240 PolarHBondContact O-N 2.97Å; L237-G240 PolarHBondContact O-N 3.11Å; E238-G240 VanDerWaalsContact C-N 3.33Å; E238-G240 PolarHBondContact O-N 3.13Å; G240-K244 WeakPolarHBondContact O-CG 3.46Å; G240-K244 PolarHBondContact O-N 2.81Å |
| 241 | K | 97.6 | Very high | 95.4 | Very high | 138 Ų | 138 | 88.2 Ų | 88.2 | 60% | 0.6 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -65.9 | -47.4 | 172.4 | -74 | 174 | 179.6 | -178.9 | 0 | 111.3 | L237 E238 L239 I243 K244 Q245 | L237-K241 WeakPolarHBondContact O-CG 3.36Å; L237-K241 PolarHBondContact O-N 3.48Å; E238-K241 PolarHBondContact O-N 3.36Å; L239-K241 PolarHBondContact O-N 3.23Å; K241-I243 PolarHBondContact O-N 2.93Å; K241-K244 PolarHBondContact O-N 3.39Å; K241-Q245 WeakPolarHBondContact O-CB 3.33Å; K241-Q245 PolarHBondContact O-N 3.39Å |
| 242 | A | 96.6 | Very high | 95.2 | Very high | 40 Ų | 40 | 88.2 Ų | 88.2 | 33% | 0.331 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -63.2 | -41.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112 | M224 E238 L239 Q245 K246 | M224-A242 HydrophobicContact CE-CB 3.49Å; M224-A242 VanDerWaalsContact CE-CB 3.49Å; E238-A242 WeakPolarHBondContact O-CB 3.34Å; E238-A242 PolarHBondContact O-N 3.2Å; L239-A242 PolarHBondContact O-N 3.1Å; A242-Q245 PolarHBondContact O-N 3.09Å; A242-K246 WeakPolarHBondContact O-CB 3.41Å; A242-K246 WeakPolarHBondContact O-CG 3.48Å; A242-K246 PolarHBondContact O-N 3.22Å |
| 243 | I | 96.1 | Very high | 94.8 | Very high | 14 Ų | 14 | 87.1 Ų | 87.1 | 7% | 0.072 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -59 | -49.5 | 173.8 | -75.7 | 166.5 | 0 | 0 | 0 | 111 | V221 M224 L225 L239 K241 Q245 K246 L247 | V221-I243 HydrophobicContact CG1-CD1 4.33Å; V221-I243 HydrophobicContact CG1-CG2 4.36Å; V221-I243 HydrophobicContact CG2-CG2 3.94Å; M224-I243 HydrophobicContact CB-CD1 4.45Å; M224-I243 HydrophobicContact CB-CG1 3.93Å; M224-I243 HydrophobicContact CE-CG1 4.12Å; M224-I243 HydrophobicContact SD-CG1 3.93Å; L225-I243 HydrophobicContact CD2-CD1 3.91Å; L225-I243 HydrophobicContact CG-CD1 4.44Å; L239-I243 HydrophobicContact CD1-CD1 4.04Å; L239-I243 HydrophobicContact CD1-CG1 4.25Å; L239-I243 HydrophobicContact CG-CD1 3.86Å; L239-I243 HydrophobicContact CG-CG1 4.49Å; L239-I243 WeakPolarHBondContact O-CB 3.39Å; L239-I243 VanDerWaalsContact O-CG1 3.32Å; L239-I243 WeakPolarHBondContact O-CG1 3.46Å; L239-I243 PolarHBondContact O-N 3.13Å; K241-I243 PolarHBondContact O-N 2.93Å; I243-Q245 PolarHBondContact O-N 3.13Å; I243-K246 PolarHBondContact O-N 3.18Å; I243-L247 HydrophobicContact CG2-CD1 3.93Å; I243-L247 WeakPolarHBondContact O-CB 3.33Å; I243-L247 WeakPolarHBondContact O-CG 3.48Å; I243-L247 PolarHBondContact O-N 2.93Å |
| 244 | K | 95.6 | Very high | 93.9 | Very high | 157 Ų | 157 | 87.5 Ų | 87.5 | 68% | 0.683 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -62.6 | -42.6 | 179.1 | -74.6 | -176.7 | 176.2 | -168.3 | 0 | 112.3 | G240 K241 W248 | G240-K244 WeakPolarHBondContact O-CG 3.46Å; G240-K244 PolarHBondContact O-N 2.81Å; K241-K244 PolarHBondContact O-N 3.39Å; K244-W248 WeakPolarHBondContact O-CB 3.4Å; K244-W248 PolarHBondContact O-N 2.96Å |
| 245 | Q | 96.6 | Very high | 92.3 | Very high | 103 Ų | 103 | 78.3 Ų | 78.3 | 48% | 0.481 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -60.9 | -47.4 | 176.6 | -179 | 61.5 | 29.4 | 0 | 0 | 111.2 | K241 A242 I243 W248 E249 | K241-Q245 WeakPolarHBondContact O-CB 3.33Å; K241-Q245 PolarHBondContact O-N 3.39Å; A242-Q245 PolarHBondContact O-N 3.09Å; I243-Q245 PolarHBondContact O-N 3.13Å; Q245-W248 PolarHBondContact O-N 3.14Å; Q245-E249 WeakPolarHBondContact CG-OE1 3.42Å; Q245-E249 PolarHBondContact NE2-OE1 3.01Å; Q245-E249 WeakPolarHBondContact O-CG 3.49Å; Q245-E249 PolarHBondContact O-N 3.49Å |
| 246 | K | 95.8 | Very high | 90.4 | Very high | 105 Ų | 105 | 73.7 Ų | 73.7 | 46% | 0.457 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -67.8 | -37.5 | -179.8 | -76.6 | -74.7 | 162.9 | -152.2 | 0 | 113.4 | V220 M224 A242 I243 E249 A250 | V220-K246 HydrophobicContact CG1-CB 3.67Å; M224-K246 HydrophobicContact CE-CG 4.28Å; M224-K246 HydrophobicContact SD-CB 3.96Å; M224-K246 HydrophobicContact SD-CG 3.94Å; A242-K246 WeakPolarHBondContact O-CB 3.41Å; A242-K246 WeakPolarHBondContact O-CG 3.48Å; A242-K246 PolarHBondContact O-N 3.22Å; I243-K246 PolarHBondContact O-N 3.18Å; K246-E249 WeakPolarHBondContact CD-OE2 3.35Å; K246-E249 WeakPolarHBondContact CE-OE2 3.37Å; K246-E249 IonicContact NZ-OE2 3.66Å; K246-E249 PolarHBondContact NZ-OE2 3.49Å; K246-A250 VanDerWaalsContact O-CB 3.31Å; K246-A250 WeakPolarHBondContact O-CB 3.49Å; K246-A250 PolarHBondContact O-N 3.2Å |
| 247 | L | 95.6 | Very high | 88.4 | Confident | 19 Ų | 19 | 76.1 Ų | 76.1 | 10% | 0.099 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -62.9 | -43.2 | 172.6 | -78.1 | 169.5 | 0 | 0 | 0 | 111.6 | Y217 V220 V221 I243 A250 L251 | Y217-L247 HydrophobicContact CD2-CD1 3.99Å; Y217-L247 HydrophobicContact CD2-CD2 4.08Å; Y217-L247 HydrophobicContact CE2-CD1 3.92Å; V220-L247 HydrophobicContact CB-CD2 3.92Å; V220-L247 HydrophobicContact CB-CG 4.48Å; V220-L247 HydrophobicContact CG1-CD2 3.95Å; V220-L247 HydrophobicContact CG1-CG 3.97Å; V220-L247 HydrophobicContact CG2-CD2 4.43Å; V221-L247 HydrophobicContact CG2-CD1 3.83Å; V221-L247 HydrophobicContact CG2-CD2 4Å; V221-L247 HydrophobicContact CG2-CG 4.06Å; I243-L247 HydrophobicContact CG2-CD1 3.93Å; I243-L247 WeakPolarHBondContact O-CB 3.33Å; I243-L247 WeakPolarHBondContact O-CG 3.48Å; I243-L247 PolarHBondContact O-N 2.93Å; L247-A250 PolarHBondContact O-N 3.16Å; L247-L251 WeakPolarHBondContact O-CB 3.19Å; L247-L251 VanDerWaalsContact O-CG 3.3Å; L247-L251 WeakPolarHBondContact O-CG 3.4Å; L247-L251 PolarHBondContact O-N 3.31Å |
| 248 | W | 94.7 | Very high | 86 | Confident | 162 Ų | 162 | 73.8 Ų | 73.8 | 61% | 0.614 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -63.6 | -47.7 | 176.9 | -178.5 | -105.1 | 0 | 0 | 0 | 112.2 | K244 Q245 A250 L251 C252 | K244-W248 WeakPolarHBondContact O-CB 3.4Å; K244-W248 PolarHBondContact O-N 2.96Å; Q245-W248 PolarHBondContact O-N 3.14Å; W248-A250 VanDerWaalsContact C-N 3.3Å; W248-A250 PolarHBondContact O-N 2.93Å; W248-L251 PolarHBondContact O-N 3.46Å; W248-C252 VanDerWaalsContact CE2-SG 3.59Å; W248-C252 PolarHBondContact O-N 3.18Å; W248-C252 PolarHBondContact O-SG 2.57Å; W248-C252 VanDerWaalsContact O-SG 3.38Å |
| 249 | E | 95.6 | Very high | 83.4 | Confident | 71 Ų | 71 | 74.8 Ų | 74.8 | 33% | 0.332 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -55.2 | -45.7 | 174.3 | -74.5 | 168.4 | -168.1 | 0 | 0 | 111.7 | Q245 K246 C252 S253 | Q245-E249 WeakPolarHBondContact CG-OE1 3.42Å; Q245-E249 PolarHBondContact NE2-OE1 3.01Å; Q245-E249 WeakPolarHBondContact O-CG 3.49Å; Q245-E249 PolarHBondContact O-N 3.49Å; K246-E249 WeakPolarHBondContact CD-OE2 3.35Å; K246-E249 WeakPolarHBondContact CE-OE2 3.37Å; K246-E249 IonicContact NZ-OE2 3.66Å; K246-E249 PolarHBondContact NZ-OE2 3.49Å; E249-C252 PolarHBondContact O-N 3.26Å; E249-S253 WeakPolarHBondContact O-CB 3.28Å; E249-S253 PolarHBondContact O-N 3.26Å; E249-S253 PolarHBondContact O-OG 3.1Å |
| 250 | A | 93.9 | Very high | 80.5 | Confident | 22 Ų | 22 | 76.4 Ų | 76.4 | 18% | 0.182 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -66 | -42.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L216 V220 K246 L247 W248 S253 Q254 | L216-A250 HydrophobicContact CD1-CB 4.08Å; L216-A250 HydrophobicContact CD2-CB 4.35Å; L216-A250 HydrophobicContact CG-CB 4.36Å; V220-A250 HydrophobicContact CG2-CB 3.87Å; K246-A250 VanDerWaalsContact O-CB 3.31Å; K246-A250 WeakPolarHBondContact O-CB 3.49Å; K246-A250 PolarHBondContact O-N 3.2Å; L247-A250 PolarHBondContact O-N 3.16Å; W248-A250 VanDerWaalsContact C-N 3.3Å; W248-A250 PolarHBondContact O-N 2.93Å; A250-S253 PolarHBondContact O-N 3.25Å; A250-Q254 WeakPolarHBondContact O-CB 3.44Å; A250-Q254 PolarHBondContact O-N 2.92Å |
| 251 | L | 91.8 | Very high | 77.8 | Confident | 25 Ų | 25 | 79.3 Ų | 79.3 | 13% | 0.131 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -61.5 | -47.3 | 175.2 | -74.2 | 168.3 | 0 | 0 | 0 | 112 | H206 L208 Y213 L216 L247 W248 S253 Q254 G255 | H206-L251 HydrophobicContact CB-CD1 4.36Å; H206-L251 HydrophobicContact CB-CD2 3.87Å; L208-L251 HydrophobicContact CD1-CD2 4.03Å; Y213-L251 HydrophobicContact CD2-CD2 4.18Å; Y213-L251 HydrophobicContact CE2-CD1 4.42Å; Y213-L251 HydrophobicContact CE2-CD2 4.26Å; L216-L251 HydrophobicContact CD2-CD2 3.48Å; L216-L251 VanDerWaalsContact CD2-CD2 3.48Å; L216-L251 HydrophobicContact CD2-CG 3.74Å; L247-L251 WeakPolarHBondContact O-CB 3.19Å; L247-L251 VanDerWaalsContact O-CG 3.3Å; L247-L251 WeakPolarHBondContact O-CG 3.4Å; L247-L251 PolarHBondContact O-N 3.31Å; W248-L251 PolarHBondContact O-N 3.46Å; L251-S253 VanDerWaalsContact C-N 3.29Å; L251-S253 PolarHBondContact O-N 3.26Å; L251-Q254 PolarHBondContact O-N 2.94Å; L251-G255 PolarHBondContact O-N 2.89Å |
| 252 | C | 88.3 | Confident | 75 | Confident | 66 Ų | 66 | 80.7 Ų | 80.7 | 45% | 0.446 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62 | -38.2 | 176.4 | -67.7 | 0 | 0 | 0 | 0 | 112.1 | W248 E249 | W248-C252 VanDerWaalsContact CE2-SG 3.59Å; W248-C252 PolarHBondContact O-N 3.18Å; W248-C252 PolarHBondContact O-SG 2.57Å; W248-C252 VanDerWaalsContact O-SG 3.38Å; E249-C252 PolarHBondContact O-N 3.26Å |
| 253 | S | 84.6 | Confident | 72.3 | Confident | 69 Ų | 69 | 87.8 Ų | 87.8 | 48% | 0.483 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -69.5 | -39.1 | 179.1 | -55.3 | 0 | 0 | 0 | 0 | 112 | E249 A250 L251 G255 A256 I257 | E249-S253 WeakPolarHBondContact O-CB 3.28Å; E249-S253 PolarHBondContact O-N 3.26Å; E249-S253 PolarHBondContact O-OG 3.1Å; A250-S253 PolarHBondContact O-N 3.25Å; L251-S253 VanDerWaalsContact C-N 3.29Å; L251-S253 PolarHBondContact O-N 3.26Å; S253-G255 VanDerWaalsContact C-N 3.33Å; S253-G255 PolarHBondContact O-N 3.42Å; S253-A256 PolarHBondContact O-N 2.84Å; S253-I257 PolarHBondContact O-N 3.23Å |
| 254 | Q | 76.4 | Confident | 69.6 | Low | 78 Ų | 78 | 94.7 Ų | 94.7 | 36% | 0.364 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.5 | -33.6 | 179.6 | -164.5 | 63.9 | 26.8 | 0 | 0 | 112.4 | L208 A250 L251 A256 I257 S258 | L208-Q254 HydrophobicContact CD1-CG 4.47Å; L208-Q254 HydrophobicContact CD2-CG 3.86Å; A250-Q254 WeakPolarHBondContact O-CB 3.44Å; A250-Q254 PolarHBondContact O-N 2.92Å; L251-Q254 PolarHBondContact O-N 2.94Å; Q254-A256 VanDerWaalsContact C-N 3.33Å; Q254-A256 PolarHBondContact O-N 2.8Å; Q254-I257 PolarHBondContact O-N 2.96Å; Q254-S258 PolarHBondContact O-N 3.32Å |
| 255 | G | 60.4 | Low | 66.8 | Low | 44 Ų | 44 | 97.6 Ų | 97.6 | 45% | 0.454 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -57.5 | -43.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L251 S253 I257 S258 E259 | L251-G255 PolarHBondContact O-N 2.89Å; S253-G255 VanDerWaalsContact C-N 3.33Å; S253-G255 PolarHBondContact O-N 3.42Å; G255-I257 VanDerWaalsContact C-N 3.34Å; G255-I257 PolarHBondContact O-N 2.87Å; G255-S258 PolarHBondContact O-N 3.38Å; G255-E259 PolarHBondContact O-N 3.28Å |
| 256 | A | 56.3 | Low | 64.1 | Low | 69 Ų | 69 | 102.2 Ų | 102.2 | 57% | 0.57 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -67.4 | -30.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | S253 Q254 | S253-A256 PolarHBondContact O-N 2.84Å; Q254-A256 VanDerWaalsContact C-N 3.33Å; Q254-A256 PolarHBondContact O-N 2.8Å |
| 257 | I | 53.6 | Low | 61.3 | Low | 102 Ų | 102 | 103.5 Ų | 103.5 | 52% | 0.523 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -77.2 | -37.6 | 177.5 | -61.6 | 171.3 | 0 | 0 | 0 | 110.9 | S253 Q254 G255 E259 G260 A261 | S253-I257 PolarHBondContact O-N 3.23Å; Q254-I257 PolarHBondContact O-N 2.96Å; G255-I257 VanDerWaalsContact C-N 3.34Å; G255-I257 PolarHBondContact O-N 2.87Å; I257-E259 VanDerWaalsContact C-N 3.3Å; I257-E259 PolarHBondContact O-N 2.91Å; I257-G260 PolarHBondContact O-N 3.18Å; I257-A261 WeakPolarHBondContact O-CB 3.37Å; I257-A261 PolarHBondContact O-N 3.28Å |
| 258 | S | 46 | Very low | 58.3 | Low | 79 Ų | 79 | 106 Ų | 106 | 55% | 0.552 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -60.8 | -38.8 | 177.5 | -164.2 | 0 | 0 | 0 | 0 | 112.3 | Q254 G255 G260 A261 | Q254-S258 PolarHBondContact O-N 3.32Å; G255-S258 PolarHBondContact O-N 3.38Å; S258-G260 VanDerWaalsContact C-N 3.33Å; S258-G260 PolarHBondContact O-N 3.13Å; S258-A261 PolarHBondContact O-N 3.3Å |
| 259 | E | 41.9 | Very low | 55.4 | Low | 177 Ų | 177 | 108.8 Ų | 108.8 | 83% | 0.827 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -69.4 | -28.4 | 178.9 | -151.6 | 171.8 | -149.2 | 0 | 0 | 112.8 | G255 I257 | G255-E259 PolarHBondContact O-N 3.28Å; I257-E259 VanDerWaalsContact C-N 3.3Å; I257-E259 PolarHBondContact O-N 2.91Å |
| 260 | G | 37.3 | Very low | 52.6 | Low | 58 Ų | 58 | 115.1 Ų | 115.1 | 60% | 0.598 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -83.9 | -31.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | I257 S258 Q262 | I257-G260 PolarHBondContact O-N 3.18Å; S258-G260 VanDerWaalsContact C-N 3.33Å; S258-G260 PolarHBondContact O-N 3.13Å; G260-Q262 VanDerWaalsContact C-N 3.34Å; G260-Q262 PolarHBondContact O-N 3.13Å |
| 261 | A | 38.4 | Very low | 49.8 | Very low | 67 Ų | 67 | 124.7 Ų | 124.7 | 55% | 0.554 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | -3.7 | -170.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | I257 S258 K263 | I257-A261 WeakPolarHBondContact O-CB 3.37Å; I257-A261 PolarHBondContact O-N 3.28Å; S258-A261 PolarHBondContact O-N 3.3Å; A261-K263 VanDerWaalsContact C-N 3.35Å; A261-K263 PolarHBondContact O-N 2.98Å |
| 262 | Q | 39.3 | Very low | 47.3 | Very low | 167 Ų | 167 | 129.5 Ų | 129.5 | 78% | 0.78 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | -7 | -179.9 | -86.8 | -73.3 | -28.6 | 0 | 0 | 115.1 | G260 | G260-Q262 VanDerWaalsContact C-N 3.34Å; G260-Q262 PolarHBondContact O-N 3.13Å |
| 263 | K | 41 | Very low | 44.6 | Very low | 189 Ų | 189 | 129.9 Ų | 129.9 | 82% | 0.822 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -90.4 | -25.6 | -178.8 | -84.2 | -171.7 | 172.7 | -179.3 | 0 | 116.2 | A261 | A261-K263 VanDerWaalsContact C-N 3.35Å; A261-K263 PolarHBondContact O-N 2.98Å |
| 264 | D | 39.4 | Very low | 42.1 | Very low | 159 Ų | 159 | 133.6 Ų | 133.6 | 85% | 0.85 | 73% | 0.725 | S | S | * | * | trans | -114 | 50.5 | -170.1 | -76.2 | -40.1 | 0 | 0 | 0 | 114.4 | ||||
| 265 | R | 35.5 | Very low | 40.2 | Very low | 218 Ų | 218 | 137.7 Ų | 137.7 | 82% | 0.823 | 74% | 0.743 | S | S | * | * | trans | -115.3 | 48.9 | 170.1 | -151 | 176.6 | -174 | 176.8 | 2.1 | 114.7 | ||||
| 266 | F | 39.7 | Very low | 39 | Very low | 200 Ų | 200 | 144.4 Ų | 144.4 | 88% | 0.877 | 76% | 0.763 | S | S | * | * | trans | -136.6 | 75.3 | 163.9 | -70.5 | -72 | 0 | 0 | 0 | 113.5 | G268 | F266-G268 PolarHBondContact O-N 3.17Š| ||
| 267 | P | 37.9 | Very low | 38.2 | Very low | 133 Ų | 133 | 147.9 Ų | 147.9 | 86% | 0.864 | 77% | 0.768 | S | S | * | * | trans | -77.3 | 72.4 | 167.1 | 32.9 | -32.9 | 0 | 0 | 0 | 110.2 | ||||
| 268 | G | 32.9 | Very low | 37.8 | Very low | 70 Ų | 70 | 148.5 Ų | 148.5 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | trans | -106.8 | 29.6 | -162.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | F266 | F266-G268 PolarHBondContact O-N 3.17Š| ||
| 269 | R | 32.6 | Very low | 37.1 | Very low | 222 Ų | 222 | 149 Ų | 149 | 84% | 0.838 | 78% | 0.778 | S | S | * | * | trans | -157.7 | 125.8 | 164.2 | -132.6 | 174.1 | -172.5 | -139.9 | 0.8 | 115.2 | ||||
| 270 | K | 37.9 | Very low | 36.9 | Very low | 203 Ų | 203 | 148.4 Ų | 148.4 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | trans | -77.8 | 140 | 165.3 | -62.5 | -176.4 | 178.4 | -176.5 | 0 | 110.6 | ||||
| 271 | R | 33.7 | Very low | 37.1 | Very low | 223 Ų | 223 | 152.4 Ų | 152.4 | 84% | 0.842 | 79% | 0.787 | S | S | * | * | trans | -136.7 | 143.8 | 141.4 | -81.2 | -163.3 | 169.8 | -158.3 | -3.5 | 108.8 | ||||
| 272 | P | 41.1 | Very low | 37 | Very low | 127 Ų | 127 | 158.1 Ų | 158.1 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | trans | -94.5 | 152.3 | -168.6 | 36.2 | -34.8 | 0 | 0 | 0 | 113.7 | ||||
| 273 | G | 29.8 | Very low | 37 | Very low | 74 Ų | 74 | 161.9 Ų | 161.9 | 76% | 0.763 | 81% | 0.807 | S | S | * | * | trans | 79.1 | 107.6 | 149.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 274 | V | 32.6 | Very low | 37.4 | Very low | 147 Ų | 147 | 159 Ų | 159 | 89% | 0.891 | 81% | 0.807 | S | S | * | * | -139.9 | 143.4 | 111.3 | 175.2 | 0 | 0 | 0 | 0 | 107 | |||||
| 275 | H | 35.9 | Very low | 37.5 | Very low | 163 Ų | 163 | 161.1 Ų | 161.1 | 76% | 0.755 | 81% | 0.809 | S | S | * | * | trans | -87 | 125.6 | 178.3 | 164.3 | -68.6 | 0 | 0 | 0 | 110.3 | ||||
| 276 | E | 37.2 | Very low | 37.6 | Very low | 185 Ų | 185 | 159.2 Ų | 159.2 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | trans | -156.1 | 120.1 | 150.7 | -119 | 167.1 | -141.3 | 0 | 0 | 111.2 | ||||
| 277 | E | 38.7 | Very low | 37.9 | Very low | 143 Ų | 143 | 159.5 Ų | 159.5 | 67% | 0.668 | 82% | 0.815 | S | S | * | * | trans | -84.9 | 149.5 | 166.3 | -158.9 | -152.9 | 127.7 | 0 | 0 | 108.3 | V279 | E277-V279 PolarHBondContact OE1-N 3.3Š| ||
| 278 | P | 44.2 | Very low | 37.8 | Very low | 114 Ų | 114 | 159 Ų | 159 | 74% | 0.74 | 81% | 0.814 | S | S | * | * | -146 | 128.1 | 111.8 | 31.7 | -14.7 | 0 | 0 | 0 | 116.4 | |||||
| 279 | V | 33 | Very low | 38.5 | Very low | 91 Ų | 91 | 165.7 Ų | 165.7 | 55% | 0.552 | 82% | 0.823 | S | S | * | * | 59.1 | 105 | 126.9 | -171.7 | 0 | 0 | 0 | 0 | 118.7 | E277 N281 | E277-V279 PolarHBondContact OE1-N 3.3Å; V279-N281 PolarHBondContact O-N 3.38Å | |||
| 280 | L | 37.1 | Very low | 39.2 | Very low | 164 Ų | 164 | 168.1 Ų | 168.1 | 86% | 0.859 | 84% | 0.84 | S | S | * | * | trans | -60.9 | 116.8 | 164.3 | -77.2 | 157.8 | 0 | 0 | 0 | 113.6 | K282 | L280-K282 PolarHBondContact O-N 3.4Š| ||
| 281 | N | 40.8 | Very low | 39.3 | Very low | 142 Ų | 142 | 166.4 Ų | 166.4 | 76% | 0.759 | 84% | 0.838 | S | S | * | * | trans | -93.5 | 81.3 | 172.9 | -78.2 | -37.2 | 0 | 0 | 0 | 113.7 | V279 | V279-N281 PolarHBondContact O-N 3.38Š| ||
| 282 | K | 37.4 | Very low | 39.6 | Very low | 187 Ų | 187 | 163.4 Ų | 163.4 | 81% | 0.813 | 84% | 0.838 | S | S | * | * | trans | 34.7 | 116 | 135.3 | -58.5 | 175.9 | -173.9 | 172.9 | 0 | 119.5 | L280 | L280-K282 PolarHBondContact O-N 3.4Š| ||
| 283 | W | 39.6 | Very low | 39.5 | Very low | 246 Ų | 246 | 165.4 Ų | 165.4 | 93% | 0.932 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 144.2 | 160.9 | -75.9 | 49.2 | 0 | 0 | 0 | 112.2 | ||
| 284 | P | 47.5 | Very low | 40.1 | Very low | 127 Ų | 127 | 170.8 Ų | 170.8 | 83% | 0.825 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 129 | 173.8 | 31.2 | -32.6 | 0 | 0 | 0 | 112.2 | ||
| 285 | K | 43.3 | Very low | 40.5 | Very low | 204 Ų | 204 | 172.3 Ų | 172.3 | 89% | 0.887 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -84 | 142.3 | 173.7 | -74.7 | -176.1 | 176.5 | 179.9 | 0 | 112 | ||
| 286 | L | 37.7 | Very low | 40.9 | Very low | 178 Ų | 178 | 172.9 Ų | 172.9 | 93% | 0.932 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 138.9 | 170.8 | -70.1 | 152.7 | 0 | 0 | 0 | 111.6 | ||
| 287 | K | 44.5 | Very low | 41.1 | Very low | 207 Ų | 207 | 172 Ų | 172 | 90% | 0.9 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -96.6 | 116.3 | 163.4 | -71.9 | -163.9 | 176.4 | -171.5 | 0 | 109.8 | ||
| 288 | S | 37.3 | Very low | 41.3 | Very low | 122 Ų | 122 | 174.2 Ų | 174.2 | 85% | 0.853 | 86% | 0.858 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 134.1 | 159.8 | 43.2 | 0 | 0 | 0 | 0 | 109.3 | ||
| 289 | K | 46.5 | Very low | 41.1 | Very low | 210 Ų | 210 | 179.3 Ų | 179.3 | 91% | 0.913 | 87% | 0.868 | S | S | * | * | P | Polyproline II helix | trans | -96.8 | 137.7 | 172.4 | -166.4 | 176.3 | -178.9 | -177 | 0 | 108 | ||
| 290 | K | 48 | Very low | 41.8 | Very low | 273 Ų | 273 | 187.3 Ų | 187.3 | 100% | 1.187 | 90% | 0.896 | S | S | * | * | trans | -120.5 | 0 | 168.6 | -149.4 | -179.9 | -172.6 | -176 | 0 | 107.8 |
Retrieved 290 of 290 residues in 116.1 ms
(Link to these results)