| 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 | 45.1 | Very low | 35.3 | Very low | 224 Ų | 224 | 142.5 Ų | 142.5 | 100% | 1.103 | 80% | 0.804 | S | S | * | * | 0 | 97.3 | 0 | -119.9 | 170.4 | 84.9 | 0 | 0 | 107 | |||||
| 2 | V | 36.2 | Very low | 34.7 | Very low | 127 Ų | 127 | 144.3 Ų | 144.3 | 77% | 0.77 | 81% | 0.809 | S | S | * | * | trans | -90.8 | 109 | -179.5 | 177.7 | 0 | 0 | 0 | 0 | 106.7 | F4 | V2-F4 HydrophobicContact CG1-CD2 4.41Å; V2-F4 HydrophobicContact CG1-CE2 4.28Å; V2-F4 PolarHBondContact O-N 3.31Å | ||
| 3 | I | 34.5 | Very low | 34.5 | Very low | 132 Ų | 132 | 141.8 Ų | 141.8 | 68% | 0.677 | 80% | 0.803 | S | S | * | * | trans | -87.1 | 108.4 | 179.5 | -63.5 | 173.3 | 0 | 0 | 0 | 107.2 | L5 | I3-L5 PolarHBondContact O-N 2.94Š| ||
| 4 | F | 33.7 | Very low | 34.2 | Very low | 178 Ų | 178 | 141.3 Ų | 141.3 | 78% | 0.781 | 80% | 0.804 | S | S | * | * | trans | -72.5 | 110.1 | 172.5 | -86.8 | -93.7 | 0 | 0 | 0 | 109.5 | V2 I6 | V2-F4 HydrophobicContact CG1-CD2 4.41Å; V2-F4 HydrophobicContact CG1-CE2 4.28Å; V2-F4 PolarHBondContact O-N 3.31Å; F4-I6 PolarHBondContact O-N 2.63Å | ||
| 5 | L | 37 | Very low | 34 | Very low | 157 Ų | 157 | 144.6 Ų | 144.6 | 82% | 0.822 | 81% | 0.809 | S | S | * | * | trans | -84 | 103.1 | 169.9 | -79.8 | 153.9 | 0 | 0 | 0 | 108.5 | I3 T7 | I3-L5 PolarHBondContact O-N 2.94Å; L5-T7 PolarHBondContact O-N 3.43Å | ||
| 6 | I | 37.8 | Very low | 33.3 | Very low | 146 Ų | 146 | 146.4 Ų | 146.4 | 75% | 0.749 | 81% | 0.812 | S | S | * | * | trans | -78.6 | 106.4 | 174.3 | -60.9 | 172.6 | 0 | 0 | 0 | 107.8 | F4 I8 | F4-I6 PolarHBondContact O-N 2.63Å; I6-I8 HydrophobicContact CG2-CG1 4.14Å; I6-I8 PolarHBondContact O-N 2.89Å | ||
| 7 | T | 34.6 | Very low | 33 | Very low | 131 Ų | 131 | 142.2 Ų | 142.2 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | -82.6 | 104.5 | 172.4 | 48.4 | 0 | 0 | 0 | 0 | 109.7 | L5 S9 | L5-T7 PolarHBondContact O-N 3.43Å; T7-S9 PolarHBondContact O-N 2.77Å | ||
| 8 | I | 34.3 | Very low | 32.7 | Very low | 149 Ų | 149 | 140.6 Ų | 140.6 | 76% | 0.764 | 81% | 0.809 | S | S | * | * | trans | -83.3 | 106.2 | 171.4 | -60 | 175.6 | 0 | 0 | 0 | 108 | I6 A10 | I6-I8 HydrophobicContact CG2-CG1 4.14Å; I6-I8 PolarHBondContact O-N 2.89Å; I8-A10 PolarHBondContact O-N 2.74Å | ||
| 9 | S | 33 | Very low | 32.4 | Very low | 114 Ų | 114 | 141.8 Ų | 141.8 | 80% | 0.797 | 81% | 0.812 | S | S | * | * | trans | -78.2 | 95.3 | 171.2 | 55.4 | 0 | 0 | 0 | 0 | 109.7 | T7 S11 | T7-S9 PolarHBondContact O-N 2.77Å; S9-S11 PolarHBondContact O-N 2.66Å | ||
| 10 | A | 31.9 | Very low | 32.3 | Very low | 89 Ų | 89 | 143.8 Ų | 143.8 | 74% | 0.736 | 81% | 0.814 | S | S | * | * | trans | -83.9 | 106 | 167.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | I8 L12 | I8-A10 PolarHBondContact O-N 2.74Å; A10-L12 PolarHBondContact O-N 3.25Å | ||
| 11 | S | 29.9 | Very low | 32.1 | Very low | 121 Ų | 121 | 142.6 Ų | 142.6 | 85% | 0.846 | 81% | 0.812 | S | S | * | * | trans | -70.7 | 112.5 | 171.9 | 33.1 | 0 | 0 | 0 | 0 | 109.7 | S9 | S9-S11 PolarHBondContact O-N 2.66Š| ||
| 12 | L | 29 | Very low | 31.2 | Very low | 164 Ų | 164 | 135.6 Ų | 135.6 | 86% | 0.859 | 80% | 0.798 | S | S | * | * | trans | -91.5 | 142.1 | 175.7 | -149.1 | 70 | 0 | 0 | 0 | 109.9 | A10 | A10-L12 PolarHBondContact O-N 3.25Š| ||
| 13 | P | 31.3 | Very low | 30.6 | Very low | 112 Ų | 112 | 137.6 Ų | 137.6 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | trans | -76 | 145.1 | -163.6 | -11.2 | 28 | 0 | 0 | 0 | 113.2 | H15 | P13-H15 PolarHBondContact O-N 2.88Š| ||
| 14 | T | 30.1 | Very low | 30.2 | Very low | 134 Ų | 134 | 139.8 Ų | 139.8 | 82% | 0.822 | 81% | 0.812 | S | S | * | * | trans | -58.5 | 99.9 | 173.5 | 47.3 | 0 | 0 | 0 | 0 | 111.3 | M16 | T14-M16 PolarHBondContact O-N 3.06Š| ||
| 15 | H | 31.1 | Very low | 29.7 | Very low | 191 Ų | 191 | 140.6 Ų | 140.6 | 88% | 0.884 | 82% | 0.816 | S | S | * | * | trans | -81.8 | 102.6 | 167.6 | -137.4 | -74.5 | 0 | 0 | 0 | 108.4 | P13 | P13-H15 PolarHBondContact O-N 2.88Š| ||
| 16 | M | 24.1 | Very low | 29.2 | Very low | 173 Ų | 173 | 140.8 Ų | 140.8 | 85% | 0.852 | 82% | 0.816 | S | S | * | * | trans | -77.2 | 145.5 | 167.6 | -65.9 | 170.7 | 81.9 | 0 | 0 | 109 | T14 | T14-M16 PolarHBondContact O-N 3.06Š| ||
| 17 | G | 27.4 | Very low | 29 | Very low | 75 Ų | 75 | 139.2 Ų | 139.2 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | trans | 102.7 | 77.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 18 | S | 28 | Very low | 28.9 | Very low | 114 Ų | 114 | 140.7 Ų | 140.7 | 80% | 0.797 | 82% | 0.819 | S | S | * | * | trans | -123.7 | 111.1 | 149.4 | 36 | 0 | 0 | 0 | 0 | 107.4 | Q20 | S18-Q20 PolarHBondContact O-N 3.18Å; S18-Q20 VanDerWaalsContact O-N 3.1Å | ||
| 19 | D | 27.4 | Very low | 29.2 | Very low | 163 Ų | 163 | 137.5 Ų | 137.5 | 87% | 0.872 | 81% | 0.81 | S | S | * | * | trans | -52.6 | 105.8 | 173.3 | -66.5 | -55.8 | 0 | 0 | 0 | 109.9 | ||||
| 20 | Q | 29 | Very low | 29.8 | Very low | 182 Ų | 182 | 136 Ų | 136 | 85% | 0.85 | 79% | 0.793 | S | S | * | * | trans | -75.5 | 122.5 | 162.7 | -74.9 | -170 | -67.1 | 0 | 0 | 107.6 | S18 G22 | S18-Q20 PolarHBondContact O-N 3.18Å; S18-Q20 VanDerWaalsContact O-N 3.1Å; Q20-G22 PolarHBondContact O-N 3.02Å | ||
| 21 | P | 29 | Very low | 30.5 | Very low | 119 Ų | 119 | 138.4 Ų | 138.4 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | trans | -61.2 | 134.5 | -179.6 | 24.3 | -31.5 | 0 | 0 | 0 | 109.3 | L23 | P21-L23 PolarHBondContact O-N 3.15Š| ||
| 22 | G | 25.8 | Very low | 31.6 | Very low | 77 Ų | 77 | 140.7 Ų | 140.7 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | trans | -34.6 | 105.4 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q20 M24 | Q20-G22 PolarHBondContact O-N 3.02Å; G22-M24 PolarHBondContact O-N 3.15Å | ||
| 23 | L | 24.2 | Very low | 33.7 | Very low | 168 Ų | 168 | 134.6 Ų | 134.6 | 88% | 0.88 | 75% | 0.751 | S | S | * | * | trans | -56.8 | 107.7 | 161.7 | -152.8 | 84.7 | 0 | 0 | 0 | 105.5 | P21 K25 | P21-L23 PolarHBondContact O-N 3.15Å; L23-K25 PolarHBondContact O-N 3.44Å | ||
| 24 | M | 25.2 | Very low | 35.7 | Very low | 178 Ų | 178 | 131.8 Ų | 131.8 | 88% | 0.877 | 73% | 0.732 | S | S | * | * | trans | -52.4 | 106 | 173.7 | -174 | 153.9 | 170.2 | 0 | 0 | 106.5 | G22 L26 | G22-M24 PolarHBondContact O-N 3.15Å; M24-L26 PolarHBondContact O-N 3.46Å | ||
| 25 | K | 24.4 | Very low | 38.2 | Very low | 196 Ų | 196 | 127.5 Ų | 127.5 | 85% | 0.852 | 71% | 0.708 | S | S | * | * | trans | -53.6 | 107.4 | 175.8 | -81.6 | -179 | 175.2 | 179.6 | 0 | 105.5 | L23 P27 | L23-K25 PolarHBondContact O-N 3.44Å; K25-P27 VanDerWaalsContact O-N 3.09Å | ||
| 26 | L | 26.5 | Very low | 40.7 | Very low | 160 Ų | 160 | 120.6 Ų | 120.6 | 84% | 0.838 | 67% | 0.674 | S | S | * | * | trans | -50.3 | 120.4 | 163 | -76.5 | 155.1 | 0 | 0 | 0 | 104.6 | M24 D28 | M24-L26 PolarHBondContact O-N 3.46Å; L26-D28 PolarHBondContact O-N 3.39Å | ||
| 27 | P | 32.7 | Very low | 43.5 | Very low | 114 Ų | 114 | 116.7 Ų | 116.7 | 74% | 0.74 | 65% | 0.654 | S | S | * | * | trans | -52 | 136.3 | -176.2 | 19.1 | -30.2 | 0 | 0 | 0 | 108.2 | K25 S29 | K25-P27 VanDerWaalsContact O-N 3.09Å; P27-S29 PolarHBondContact O-N 3.35Å | ||
| 28 | D | 33.5 | Very low | 46.1 | Very low | 161 Ų | 161 | 117.1 Ų | 117.1 | 86% | 0.861 | 65% | 0.65 | S | S | * | * | trans | -35.4 | 113.5 | -174 | -78.4 | -46.9 | 0 | 0 | 0 | 109.4 | L26 D30 | L26-D28 PolarHBondContact O-N 3.39Å; D28-D30 PolarHBondContact O-N 3.4Å | ||
| 29 | S | 40.2 | Very low | 48.5 | Very low | 82 Ų | 82 | 112.8 Ų | 112.8 | 57% | 0.573 | 62% | 0.619 | S | S | * | * | trans | -49.1 | 98 | -174.3 | -174 | 0 | 0 | 0 | 0 | 109 | P27 Y31 | P27-S29 PolarHBondContact O-N 3.35Å; S29-Y31 PolarHBondContact O-N 2.92Å; S29-Y31 WeakPolarHBondContact OG-CB 3.33Å; S29-Y31 WeakPolarHBondContact OG-CD2 3.27Å; S29-Y31 VanDerWaalsContact OG-CG 3.26Å | ||
| 30 | D | 44.7 | Very low | 50.9 | Low | 84 Ų | 84 | 108.8 Ų | 108.8 | 45% | 0.449 | 60% | 0.604 | S | S | . | * | G | 310 helix | trans | -58.9 | 11.3 | 170.5 | -111.1 | -25.9 | 0 | 0 | 0 | 112.2 | D28 M32 | D28-D30 PolarHBondContact O-N 3.4Å; D30-M32 VanDerWaalsContact C-N 3.26Å; D30-M32 PolarHBondContact O-N 2.79Å |
| 31 | Y | 46.3 | Very low | 52.8 | Low | 139 Ų | 139 | 106.2 Ų | 106.2 | 55% | 0.545 | 60% | 0.595 | S | S | . | * | G | 310 helix | trans | -70.4 | -6.8 | -172.4 | -85.8 | -101.1 | 0 | 0 | 0 | 114.9 | S29 R114 | S29-Y31 PolarHBondContact O-N 2.92Å; S29-Y31 WeakPolarHBondContact OG-CB 3.33Å; S29-Y31 WeakPolarHBondContact OG-CD2 3.27Å; S29-Y31 VanDerWaalsContact OG-CG 3.26Å; Y31-R114 PolarHBondContact OH-NH1 3.39Å; Y31-R114 PolarHBondContact OH-NH2 2.02Å |
| 32 | M | 54.3 | Low | 54.4 | Low | 169 Ų | 169 | 105.3 Ų | 105.3 | 83% | 0.833 | 58% | 0.583 | S | S | * | * | G | 310 helix | trans | -127.3 | 41.5 | -172.7 | -61.5 | -69.5 | 177.4 | 0 | 0 | 113.6 | D30 V34 | D30-M32 VanDerWaalsContact C-N 3.26Å; D30-M32 PolarHBondContact O-N 2.79Å; M32-V34 VanDerWaalsContact C-N 3.28Å |
| 33 | N | 71.5 | Confident | 56.1 | Low | 35 Ų | 35 | 107.7 Ų | 107.7 | 19% | 0.187 | 57% | 0.574 | C | S | . | * | trans | -84 | -0 | 168.5 | -75.3 | -47.8 | 0 | 0 | 0 | 113.4 | S35 K99 C115 | N33-S35 PolarHBondContact O-N 2.89Å; N33-K99 PolarHBondContact O-N 3.1Å; N33-C115 HydrophobicContact CB-CB 3.67Å | ||
| 34 | V | 75.1 | Confident | 57.5 | Low | 53 Ų | 53 | 107 Ų | 107 | 32% | 0.321 | 56% | 0.56 | S | S | . | * | B | Isolated β-bridge | trans | -76.6 | 117.3 | 174 | -177.9 | 0 | 0 | 0 | 0 | 108.9 | M32 Y36 I96 C97 | M32-V34 VanDerWaalsContact C-N 3.28Å; V34-Y36 HydrophobicContact CG1-CD2 3.52Å; V34-Y36 HydrophobicContact CG1-CE2 3.47Å; V34-Y36 VanDerWaalsContact CG1-CE2 3.47Å; V34-I96 HydrophobicContact CG2-CD1 4.36Å; V34-I96 HydrophobicContact CG2-CG1 4.42Å; V34-C97 VanDerWaalsContact CA-O 3.28Å; V34-C97 WeakPolarHBondContact CA-O 3.19Å |
| 35 | S | 81.6 | Confident | 58.6 | Low | 44 Ų | 44 | 106.1 Ų | 106.1 | 31% | 0.308 | 55% | 0.554 | S | S | . | * | trans | -120.7 | 79.9 | -167.5 | 64.4 | 0 | 0 | 0 | 0 | 112.1 | N33 C97 K99 G100 | N33-S35 PolarHBondContact O-N 2.89Å; S35-C97 PolarHBondContact N-O 3.07Å; S35-C97 VanDerWaalsContact N-O 3.1Å; S35-C97 PolarHBondContact O-SG 2.03Å; S35-K99 PolarHBondContact OG-N 3.18Å; S35-G100 PolarHBondContact OG-N 3.28Å | ||
| 36 | Y | 82.7 | Confident | 59.4 | Low | 46 Ų | 46 | 101 Ų | 101 | 18% | 0.18 | 53% | 0.534 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 155.3 | 172.3 | -71.1 | -71.3 | 0 | 0 | 0 | 112.1 | V34 E83 C84 C85 I92 N95 I96 C97 | V34-Y36 HydrophobicContact CG1-CD2 3.52Å; V34-Y36 HydrophobicContact CG1-CE2 3.47Å; V34-Y36 VanDerWaalsContact CG1-CE2 3.47Å; Y36-E83 WeakPolarHBondContact CB-OE2 3.41Å; Y36-E83 HydrophobicContact CD1-CB 3.74Å; Y36-E83 HydrophobicContact CE1-CB 4.47Å; Y36-E83 HydrophobicContact CG-CB 4.13Å; Y36-E83 VanDerWaalsContact CG-OE2 3.24Å; Y36-C84 WeakPolarHBondContact CA-O 3.39Å; Y36-C84 WeakPolarHBondContact CD1-O 3.28Å; Y36-C85 HydrophobicContact CE1-CB 4.24Å; Y36-I92 HydrophobicContact CD1-CG2 4.3Å; Y36-I92 HydrophobicContact CD2-CG2 4.32Å; Y36-I92 HydrophobicContact CE1-CG2 4.13Å; Y36-I92 HydrophobicContact CE2-CG2 4.15Å; Y36-I92 HydrophobicContact CG-CG2 4.4Å; Y36-N95 PolarHBondContact OH-O 2.74Å; Y36-I96 WeakPolarHBondContact OH-CA 2.98Å; Y36-I96 PolarHBondContact OH-N 2.94Å; Y36-C97 HydrophobicContact CD1-CB 3.86Å; Y36-C97 HydrophobicContact CD2-CB 4.39Å; Y36-C97 HydrophobicContact CE1-CB 3.48Å; Y36-C97 VanDerWaalsContact CE1-CB 3.48Å; Y36-C97 HydrophobicContact CE2-CB 4.06Å; Y36-C97 HydrophobicContact CG-CB 4.29Å; Y36-C97 PolarHBondContact OH-N 2.75Å |
| 37 | H | 84.4 | Confident | 60 | Low | 92 Ų | 92 | 99.8 Ų | 99.8 | 43% | 0.426 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 162.5 | 165.2 | 59.9 | 90.6 | 0 | 0 | 0 | 111.4 | C84 G86 | H37-C84 WeakPolarHBondContact CE1-CB 3.14Å; H37-C84 PolarHBondContact N-O 3.49Å; H37-C84 VanDerWaalsContact N-O 3.1Å; H37-C84 VanDerWaalsContact ND1-CB 3.35Å; H37-C84 WeakPolarHBondContact ND1-CB 3.36Å; H37-C84 WeakPolarHBondContact NE2-CB 3.46Å; H37-C84 WeakPolarHBondContact O-CB 3.42Å; H37-C84 PolarHBondContact O-N 2.87Å; H37-G86 PolarHBondContact NE2-O 3.2Å; H37-G86 VanDerWaalsContact NE2-O 3.13Å |
| 38 | A | 81.8 | Confident | 60.4 | Low | 83 Ų | 83 | 100.1 Ų | 100.1 | 69% | 0.686 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -66.5 | 140.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 39 | P | 78 | Confident | 60.7 | Low | 23 Ų | 23 | 96.9 Ų | 96.9 | 15% | 0.149 | 53% | 0.528 | C | S | . | . | P | Polyproline II helix | trans | -78.3 | 156.9 | 171.6 | 32.5 | -32.8 | 0 | 0 | 0 | 111.5 | L41 A64 C65 C84 | P39-L41 HydrophobicContact CG-CD2 4.27Å; P39-L41 PolarHBondContact O-N 2.9Å; P39-A64 HydrophobicContact CB-CB 4.18Å; P39-A64 HydrophobicContact CG-CB 4.31Å; P39-C65 CarbonylContact C-O 3.53Å; P39-C65 WeakPolarHBondContact CA-O 3.45Å; P39-C65 WeakPolarHBondContact CB-O 3.47Å; P39-C84 WeakPolarHBondContact CA-SG 3.37Å |
| 40 | S | 77.4 | Confident | 60.6 | Low | 79 Ų | 79 | 100.4 Ų | 100.4 | 55% | 0.552 | 54% | 0.535 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 125 | 163.3 | -65.5 | 0 | 0 | 0 | 0 | 109.4 | C65 | S40-C65 PolarHBondContact N-O 3.37Å; S40-C65 PolarHBondContact O-N 2.84Å |
| 41 | L | 69.9 | Low | 60.1 | Low | 129 Ų | 129 | 104.5 Ų | 104.5 | 68% | 0.675 | 56% | 0.556 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -93 | 120.7 | 179.4 | -57.8 | -177.4 | 0 | 0 | 0 | 110.1 | P39 M79 | P39-L41 HydrophobicContact CG-CD2 4.27Å; P39-L41 PolarHBondContact O-N 2.9Å; L41-M79 HydrophobicContact CD2-CE 2.96Å; L41-M79 HydrophobicContact CD2-SD 4.24Å; L41-M79 HydrophobicContact CG-CE 4.43Å |
| 42 | L | 62.7 | Low | 59.7 | Low | 100 Ų | 100 | 102 Ų | 102 | 52% | 0.524 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -120.7 | 130.3 | 173.3 | -74.1 | 119.9 | 0 | 0 | 0 | 111.1 | K63 C65 | L42-K63 HydrophobicContact CB-CB 4.44Å; L42-K63 PolarHBondContact N-O 3.15Å; L42-K63 PolarHBondContact O-N 3.22Å; L42-C65 HydrophobicContact CD1-CB 4.45Å |
| 43 | H | 60.5 | Low | 59.1 | Low | 127 Ų | 127 | 100.1 Ų | 100.1 | 59% | 0.588 | 55% | 0.55 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -99.4 | 125.2 | 171.3 | -164.4 | 88 | 0 | 0 | 0 | 108.4 | V60 L62 | H43-V60 WeakPolarHBondContact CE1-CG1 3.19Å; H43-V60 WeakPolarHBondContact NE2-CG1 3.47Å; H43-L62 VanDerWaalsContact ND1-CD2 3.3Å; H43-L62 WeakPolarHBondContact ND1-CD2 3.31Å |
| 44 | Y | 53.8 | Low | 57.8 | Low | 153 Ų | 153 | 110.2 Ų | 110.2 | 60% | 0.6 | 59% | 0.586 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -117.5 | 129.6 | 176.6 | -150.3 | -90.3 | 0 | 0 | 0 | 110.4 | L47 | Y44-L47 HydrophobicContact CE1-CD1 4.5Å; Y44-L47 HydrophobicContact CE1-CG 4.04Å |
| 45 | Q | 49.3 | Very low | 56.4 | Low | 160 Ų | 160 | 113.7 Ų | 113.7 | 75% | 0.748 | 61% | 0.607 | S | S | * | * | trans | -83.4 | 145.9 | 173.7 | -72.1 | 179.4 | -49.6 | 0 | 0 | 109.8 | L47 | Q45-L47 PolarHBondContact O-N 3.02Š| ||
| 46 | M | 41.4 | Very low | 54.7 | Low | 88 Ų | 88 | 116.5 Ų | 116.5 | 43% | 0.433 | 62% | 0.619 | S | S | . | * | trans | -37.5 | 121.7 | -179.2 | -67.1 | -74.6 | -72.8 | 0 | 0 | 112.4 | D48 G58 | M46-D48 PolarHBondContact O-N 3.01Å; M46-G58 VanDerWaalsContact SD-CA 3.54Å | ||
| 47 | L | 39.2 | Very low | 53.2 | Low | 134 Ų | 134 | 120.8 Ų | 120.8 | 70% | 0.702 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -64.1 | 89.1 | 158.7 | -81.6 | 155.2 | 0 | 0 | 0 | 106.3 | Y44 Q45 | Y44-L47 HydrophobicContact CE1-CD1 4.5Å; Y44-L47 HydrophobicContact CE1-CG 4.04Å; Q45-L47 PolarHBondContact O-N 3.02Å |
| 48 | D | 40.1 | Very low | 51.8 | Low | 122 Ų | 122 | 117.9 Ų | 117.9 | 65% | 0.652 | 64% | 0.639 | S | S | * | * | 168.4 | 121.3 | 129.6 | -82.9 | -27 | 0 | 0 | 0 | 106.9 | M46 H50 | M46-D48 PolarHBondContact O-N 3.01Å; D48-H50 PolarHBondContact O-N 2.78Å | |||
| 49 | G | 40.9 | Very low | 50.8 | Low | 92 Ų | 92 | 118 Ų | 118 | 95% | 0.948 | 63% | 0.628 | S | S | * | * | trans | -65.8 | 24.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 50 | H | 36.6 | Very low | 50.2 | Low | 156 Ų | 156 | 119.8 Ų | 119.8 | 72% | 0.722 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -92.6 | 116.4 | 166.1 | -74.4 | -65.1 | 0 | 0 | 0 | 107.5 | D48 P52 | D48-H50 PolarHBondContact O-N 2.78Å; H50-P52 WeakPolarHBondContact O-CD 3.38Å |
| 51 | L | 34.4 | Very low | 50.1 | Low | 170 Ų | 170 | 122.3 Ų | 122.3 | 89% | 0.89 | 64% | 0.639 | S | S | * | * | trans | -37.5 | 112.8 | 166.7 | -73.8 | 153 | 0 | 0 | 0 | 108.3 | D53 | L51-D53 PolarHBondContact O-N 2.04Š| ||
| 52 | P | 38.6 | Very low | 50.8 | Low | 88 Ų | 88 | 117.3 Ų | 117.3 | 57% | 0.571 | 61% | 0.613 | S | S | * | * | trans | -63.7 | 110.6 | 179.3 | 22.5 | -28.9 | 0 | 0 | 0 | 106.3 | H50 R54 D56 | H50-P52 WeakPolarHBondContact O-CD 3.38Å; P52-R54 PolarHBondContact O-N 2.85Å; P52-D56 HydrophobicContact CB-CB 4.05Å | ||
| 53 | D | 41.1 | Very low | 52 | Low | 129 Ų | 129 | 116.7 Ų | 116.7 | 69% | 0.69 | 61% | 0.606 | S | S | * | * | trans | -44 | 136.9 | 157.8 | -172.6 | 11.6 | 0 | 0 | 0 | 106.8 | L51 T55 D56 | L51-D53 PolarHBondContact O-N 2.04Å; D53-T55 PolarHBondContact O-N 3.12Å; D53-D56 PolarHBondContact O-N 3.11Å | ||
| 54 | R | 43.8 | Very low | 53.3 | Low | 247 Ų | 247 | 110.6 Ų | 110.6 | 93% | 0.932 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | 22.5 | -158.1 | -161 | -177.9 | 172.5 | -176.1 | -1.7 | 114.4 | P52 | P52-R54 PolarHBondContact O-N 2.85Š|
| 55 | T | 46.1 | Very low | 55.1 | Low | 125 Ų | 125 | 103.8 Ų | 103.8 | 77% | 0.767 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.4 | -6.8 | 174.4 | 55.1 | 0 | 0 | 0 | 0 | 113.3 | D53 D57 | D53-T55 PolarHBondContact O-N 3.12Å; T55-D57 PolarHBondContact O-N 3.22Å |
| 56 | D | 47 | Very low | 57.1 | Low | 104 Ų | 104 | 96.2 Ų | 96.2 | 56% | 0.556 | 52% | 0.518 | S | S | * | . | trans | -88.5 | 96.6 | 173.7 | -159.7 | 27.2 | 0 | 0 | 0 | 109.1 | P52 D53 G58 | P52-D56 HydrophobicContact CB-CB 4.05Å; D53-D56 PolarHBondContact O-N 3.11Å; D56-G58 PolarHBondContact O-N 3.18Å | ||
| 57 | D | 49.9 | Very low | 59.4 | Low | 135 Ų | 135 | 97.5 Ų | 97.5 | 72% | 0.722 | 53% | 0.526 | S | S | * | . | trans | -65 | 75.1 | 178.2 | -161.4 | 14.4 | 0 | 0 | 0 | 108.9 | T55 L59 | T55-D57 PolarHBondContact O-N 3.22Å; D57-L59 PolarHBondContact O-N 3.23Å | ||
| 58 | G | 55.2 | Low | 61.9 | Low | 31 Ų | 31 | 100 Ų | 100 | 32% | 0.32 | 54% | 0.535 | S | S | . | . | trans | -62.7 | 79.1 | -167.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | M46 D56 V60 | M46-G58 VanDerWaalsContact SD-CA 3.54Å; D56-G58 PolarHBondContact O-N 3.18Å; G58-V60 PolarHBondContact O-N 3.33Å | ||
| 59 | L | 60.7 | Low | 64.3 | Low | 87 Ų | 87 | 98.2 Ų | 98.2 | 46% | 0.455 | 53% | 0.525 | S | S | . | . | trans | -69 | 103.4 | -174.4 | -100.5 | 134.8 | 0 | 0 | 0 | 109.1 | D57 K61 E74 | D57-L59 PolarHBondContact O-N 3.23Å; L59-K61 PolarHBondContact O-N 2.77Å; L59-E74 HydrophobicContact CD2-CB 4.18Å | ||
| 60 | V | 65 | Low | 66.7 | Low | 60 Ų | 60 | 95.6 Ų | 95.6 | 36% | 0.364 | 49% | 0.491 | S | S | . | . | P | Polyproline II helix | trans | -55.1 | 117 | 167.5 | 175.5 | 0 | 0 | 0 | 0 | 109 | H43 G58 L62 | H43-V60 WeakPolarHBondContact CE1-CG1 3.19Å; H43-V60 WeakPolarHBondContact NE2-CG1 3.47Å; G58-V60 PolarHBondContact O-N 3.33Å; V60-L62 HydrophobicContact CG1-CD2 4.46Å |
| 61 | K | 76.1 | Confident | 69.3 | Low | 131 Ų | 131 | 91.7 Ų | 91.7 | 57% | 0.57 | 48% | 0.475 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 122 | 178.2 | -70.3 | -178.1 | -175.2 | 176.4 | 0 | 110.2 | L59 T72 | L59-K61 PolarHBondContact O-N 2.77Å; K61-T72 HydrophobicContact CB-CG2 3.71Å; K61-T72 HydrophobicContact CD-CG2 4.09Å; K61-T72 HydrophobicContact CG-CG2 4.18Å |
| 62 | L | 83.9 | Confident | 71.8 | Confident | 24 Ų | 24 | 87.6 Ų | 87.6 | 13% | 0.126 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 145.3 | 176.5 | -59.6 | 175.5 | 0 | 0 | 0 | 110 | H43 V60 T72 F73 L76 M79 | H43-L62 VanDerWaalsContact ND1-CD2 3.3Å; H43-L62 WeakPolarHBondContact ND1-CD2 3.31Å; V60-L62 HydrophobicContact CG1-CD2 4.46Å; L62-T72 CarbonylContact O-C 3.53Å; L62-T72 VanDerWaalsContact O-CA 3.27Å; L62-T72 WeakPolarHBondContact O-CA 3.46Å; L62-F73 HydrophobicContact CB-CB 4.42Å; L62-F73 PolarHBondContact N-O 2.77Å; L62-F73 PolarHBondContact O-N 3.01Å; L62-L76 HydrophobicContact CD1-CB 4.02Å; L62-L76 HydrophobicContact CD1-CD1 4.1Å; L62-M79 HydrophobicContact CB-SD 4.28Å |
| 63 | K | 88 | Confident | 74.1 | Confident | 87 Ų | 87 | 84.6 Ų | 84.6 | 38% | 0.378 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 129.6 | -179 | -165 | 175.1 | 178.7 | -169.3 | 0 | 111.4 | L42 C65 C70 L71 | L42-K63 HydrophobicContact CB-CB 4.44Å; L42-K63 PolarHBondContact N-O 3.15Å; L42-K63 PolarHBondContact O-N 3.22Å; K63-C65 VanDerWaalsContact CE-SG 3.57Å; K63-C70 HydrophobicContact CD-CB 3.99Å; K63-C70 WeakPolarHBondContact CE-SG 3.34Å; K63-C70 HydrophobicContact CG-CB 3.78Å; K63-L71 WeakPolarHBondContact CA-O 3.2Å |
| 64 | A | 89.2 | Confident | 76.2 | Confident | 0 Ų | 0 | 84.5 Ų | 84.5 | 0% | 0 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 121.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | P39 C70 L71 F73 M79 I82 P89 | P39-A64 HydrophobicContact CB-CB 4.18Å; P39-A64 HydrophobicContact CG-CB 4.31Å; A64-C70 CarbonylContact O-C 3.53Å; A64-C70 WeakPolarHBondContact O-CA 3.49Å; A64-C70 WeakPolarHBondContact O-CB 3.29Å; A64-L71 PolarHBondContact N-O 3.4Å; A64-L71 PolarHBondContact O-N 3.05Å; A64-F73 HydrophobicContact CB-CE2 3.71Å; A64-M79 HydrophobicContact CB-CE 3.37Å; A64-M79 HydrophobicContact CB-SD 4.47Å; A64-I82 HydrophobicContact CB-CG2 3.72Å; A64-P89 WeakPolarHBondContact O-CG 2.98Å |
| 65 | C | 90.8 | Very high | 78 | Confident | 9 Ų | 9 | 75.8 Ų | 75.8 | 6% | 0.061 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 136.4 | -178.6 | -69.5 | 0 | 0 | 0 | 0 | 111.9 | P39 S40 L42 K63 N69 C70 | P39-C65 CarbonylContact C-O 3.53Å; P39-C65 WeakPolarHBondContact CA-O 3.45Å; P39-C65 WeakPolarHBondContact CB-O 3.47Å; S40-C65 PolarHBondContact N-O 3.37Å; S40-C65 PolarHBondContact O-N 2.84Å; L42-C65 HydrophobicContact CD1-CB 4.45Å; K63-C65 VanDerWaalsContact CE-SG 3.57Å; C65-N69 WeakPolarHBondContact CA-O 3.3Å; C65-C70 VanDerWaalsContact CA-SG 3.57Å; C65-C70 HydrophobicContact CB-CB 4.07Å; C65-C70 WeakPolarHBondContact CB-SG 3.44Å; C65-C70 WeakPolarHBondContact SG-CB 3.33Å; C65-C70 CovalentContact SG-SG 2.04Å; C65-C70 PolarHBondContact SG-SG 2.76Å |
| 66 | C | 92 | Very high | 79.7 | Confident | 2 Ų | 2 | 76 Ų | 76 | 1% | 0.014 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 102.3 | 166.7 | -55.4 | 0 | 0 | 0 | 0 | 105.6 | E68 N69 C84 D87 R88 P89 | C66-E68 PolarHBondContact O-N 2.87Å; C66-N69 PolarHBondContact N-O 2.73Å; C66-N69 PolarHBondContact O-N 2.77Å; C66-N69 VanDerWaalsContact O-N 3.12Å; C66-C84 VanDerWaalsContact CA-SG 3.53Å; C66-C84 HydrophobicContact CB-CB 3.73Å; C66-C84 WeakPolarHBondContact CB-SG 3.26Å; C66-C84 WeakPolarHBondContact SG-CA 3.47Å; C66-C84 WeakPolarHBondContact SG-CB 3.38Å; C66-C84 CovalentContact SG-SG 2.01Å; C66-C84 PolarHBondContact SG-SG 2.96Å; C66-D87 VanDerWaalsContact CB-C 3.46Å; C66-R88 VanDerWaalsContact SG-C 3.55Å; C66-P89 HydrophobicContact CB-CG 4.08Å; C66-P89 WeakPolarHBondContact SG-CA 3.33Å; C66-P89 VanDerWaalsContact SG-CG 3.57Å |
| 67 | N | 89.8 | Confident | 81.5 | Confident | 114 Ų | 114 | 77.6 Ų | 77.6 | 61% | 0.61 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | -123.1 | -165.6 | -62.8 | -33.2 | 0 | 0 | 0 | 110.7 | D87 | N67-D87 PolarHBondContact ND2-OD1 2.9Š|
| 68 | E | 90.2 | Very high | 83.2 | Confident | 188 Ų | 188 | 75.2 Ų | 75.2 | 88% | 0.879 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -15.8 | -177.5 | -59.5 | -174.8 | 172 | 0 | 0 | 113.3 | C66 | C66-E68 PolarHBondContact O-N 2.87Š|
| 69 | N | 91.8 | Very high | 84.6 | Confident | 83 Ų | 83 | 74.8 Ų | 74.8 | 44% | 0.444 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 128.9 | -179.1 | -59.1 | -63.5 | 0 | 0 | 0 | 110.1 | C65 C66 D87 P89 | C65-N69 WeakPolarHBondContact CA-O 3.3Å; C66-N69 PolarHBondContact N-O 2.73Å; C66-N69 PolarHBondContact O-N 2.77Å; C66-N69 VanDerWaalsContact O-N 3.12Å; N69-D87 VanDerWaalsContact CB-O 3.23Å; N69-D87 WeakPolarHBondContact CB-O 3.41Å; N69-D87 PolarHBondContact ND2-O 3.14Å; N69-P89 WeakPolarHBondContact O-CD 3.38Å; N69-P89 WeakPolarHBondContact O-CG 3.28Å |
| 70 | C | 90.7 | Very high | 85.9 | Confident | 37 Ų | 37 | 75.4 Ų | 75.4 | 25% | 0.25 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 146.5 | -174.1 | -51.7 | 0 | 0 | 0 | 0 | 113.1 | K63 A64 C65 | K63-C70 HydrophobicContact CD-CB 3.99Å; K63-C70 WeakPolarHBondContact CE-SG 3.34Å; K63-C70 HydrophobicContact CG-CB 3.78Å; A64-C70 CarbonylContact O-C 3.53Å; A64-C70 WeakPolarHBondContact O-CA 3.49Å; A64-C70 WeakPolarHBondContact O-CB 3.29Å; C65-C70 VanDerWaalsContact CA-SG 3.57Å; C65-C70 HydrophobicContact CB-CB 4.07Å; C65-C70 WeakPolarHBondContact CB-SG 3.44Å; C65-C70 WeakPolarHBondContact SG-CB 3.33Å; C65-C70 CovalentContact SG-SG 2.04Å; C65-C70 PolarHBondContact SG-SG 2.76Å |
| 71 | L | 90.1 | Very high | 87 | Confident | 74 Ų | 74 | 73.4 Ų | 73.4 | 39% | 0.387 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 141.9 | 171.4 | -65.1 | -180 | 0 | 0 | 0 | 109.6 | K63 A64 F73 P89 | K63-L71 WeakPolarHBondContact CA-O 3.2Å; A64-L71 PolarHBondContact N-O 3.4Å; A64-L71 PolarHBondContact O-N 3.05Å; L71-F73 HydrophobicContact CB-CE1 4.47Å; L71-F73 HydrophobicContact CB-CE2 3.6Å; L71-F73 HydrophobicContact CB-CZ 3.48Å; L71-F73 VanDerWaalsContact CB-CZ 3.48Å; L71-F73 HydrophobicContact CD1-CZ 4.15Å; L71-F73 HydrophobicContact CG-CZ 4.49Å; L71-F73 VanDerWaalsContact O-CE2 3.31Å; L71-F73 WeakPolarHBondContact O-CE2 3.14Å; L71-P89 HydrophobicContact CB-CB 4.43Å; L71-P89 HydrophobicContact CD1-CB 3.93Å; L71-P89 WeakPolarHBondContact CD1-O 3.46Å; L71-P89 HydrophobicContact CG-CB 3.95Å; L71-P89 HydrophobicContact CG-CG 4.21Å |
| 72 | T | 88.9 | Confident | 87.8 | Confident | 85 Ų | 85 | 68 Ų | 68 | 52% | 0.521 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 139 | 178.6 | -59.6 | 0 | 0 | 0 | 0 | 110.3 | K61 L62 | K61-T72 HydrophobicContact CB-CG2 3.71Å; K61-T72 HydrophobicContact CD-CG2 4.09Å; K61-T72 HydrophobicContact CG-CG2 4.18Å; L62-T72 CarbonylContact O-C 3.53Å; L62-T72 VanDerWaalsContact O-CA 3.27Å; L62-T72 WeakPolarHBondContact O-CA 3.46Å |
| 73 | F | 86.5 | Confident | 88.2 | Confident | 25 Ų | 25 | 70.1 Ų | 70.1 | 11% | 0.11 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 141.8 | -174.6 | -54 | -88.6 | 0 | 0 | 0 | 110.1 | L62 A64 L71 N75 N78 M79 I82 | L62-F73 HydrophobicContact CB-CB 4.42Å; L62-F73 PolarHBondContact N-O 2.77Å; L62-F73 PolarHBondContact O-N 3.01Å; A64-F73 HydrophobicContact CB-CE2 3.71Å; L71-F73 HydrophobicContact CB-CE1 4.47Å; L71-F73 HydrophobicContact CB-CE2 3.6Å; L71-F73 HydrophobicContact CB-CZ 3.48Å; L71-F73 VanDerWaalsContact CB-CZ 3.48Å; L71-F73 HydrophobicContact CD1-CZ 4.15Å; L71-F73 HydrophobicContact CG-CZ 4.49Å; L71-F73 VanDerWaalsContact O-CE2 3.31Å; L71-F73 WeakPolarHBondContact O-CE2 3.14Å; F73-N75 VanDerWaalsContact C-N 3.32Å; F73-N78 HydrophobicContact CB-CB 4.31Å; F73-N78 HydrophobicContact CD1-CB 4.1Å; F73-N78 WeakPolarHBondContact CD1-O 3.42Å; F73-N78 WeakPolarHBondContact CE1-O 3.06Å; F73-M79 HydrophobicContact CB-CB 4.35Å; F73-M79 HydrophobicContact CD1-CB 4.36Å; F73-M79 HydrophobicContact CD2-CB 4.17Å; F73-M79 HydrophobicContact CD2-CG 3.97Å; F73-M79 HydrophobicContact CD2-SD 4.11Å; F73-M79 HydrophobicContact CE2-CG 4.16Å; F73-M79 HydrophobicContact CG-CB 4.02Å; F73-M79 HydrophobicContact CG-CG 4.33Å; F73-I82 HydrophobicContact CE1-CD1 3.79Å; F73-I82 HydrophobicContact CE1-CG1 3.76Å; F73-I82 HydrophobicContact CE2-CG1 4.32Å; F73-I82 HydrophobicContact CE2-CG2 4.49Å; F73-I82 HydrophobicContact CZ-CB 4.31Å; F73-I82 HydrophobicContact CZ-CD1 3.66Å; F73-I82 HydrophobicContact CZ-CG1 3.49Å; F73-I82 VanDerWaalsContact CZ-CG1 3.49Å; F73-I82 HydrophobicContact CZ-CG2 4.1Å |
| 74 | E | 84.6 | Confident | 88.5 | Confident | 127 Ų | 127 | 66 Ų | 66 | 59% | 0.593 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -71.3 | -27.5 | 178.5 | -64.6 | 174.8 | 170.7 | 0 | 0 | 113.1 | L59 | L59-E74 HydrophobicContact CD2-CB 4.18Š|
| 75 | N | 81.4 | Confident | 88.7 | Confident | 64 Ų | 64 | 66.1 Ų | 66.1 | 34% | 0.342 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -156.9 | 169.4 | -177.9 | 60 | 57.3 | 0 | 0 | 0 | 110.9 | F73 I77 N78 | F73-N75 VanDerWaalsContact C-N 3.32Å; N75-I77 VanDerWaalsContact C-N 3.27Å; N75-I77 PolarHBondContact O-N 3.34Å; N75-I77 WeakPolarHBondContact OD1-CB 3.41Å; N75-I77 PolarHBondContact OD1-N 3.17Å; N75-I77 VanDerWaalsContact OD1-N 3.15Å; N75-N78 PolarHBondContact O-N 3.2Å; N75-N78 PolarHBondContact OD1-N 2.94Å |
| 76 | L | 82.5 | Confident | 88.8 | Confident | 129 Ų | 129 | 66.7 Ų | 66.7 | 68% | 0.675 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -65.5 | -29.8 | -175.7 | -170.2 | 67 | 0 | 0 | 0 | 112.9 | L62 M79 | L62-L76 HydrophobicContact CD1-CB 4.02Å; L62-L76 HydrophobicContact CD1-CD1 4.1Å; L76-M79 WeakPolarHBondContact O-CB 3.31Å; L76-M79 PolarHBondContact O-N 2.86Å |
| 77 | I | 84.4 | Confident | 88.8 | Confident | 137 Ų | 137 | 71 Ų | 71 | 70% | 0.703 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -67.6 | -41 | -178.1 | -61.5 | 168.7 | 0 | 0 | 0 | 110.3 | N75 M79 V80 | N75-I77 VanDerWaalsContact C-N 3.27Å; N75-I77 PolarHBondContact O-N 3.34Å; N75-I77 WeakPolarHBondContact OD1-CB 3.41Å; N75-I77 PolarHBondContact OD1-N 3.17Å; N75-I77 VanDerWaalsContact OD1-N 3.15Å; I77-M79 PolarHBondContact O-N 3.19Å; I77-M79 VanDerWaalsContact O-N 3.15Å; I77-V80 WeakPolarHBondContact O-CB 3.23Å; I77-V80 WeakPolarHBondContact O-CG2 3.01Å; I77-V80 PolarHBondContact O-N 2.87Å |
| 78 | N | 85.2 | Confident | 89 | Confident | 85 Ų | 85 | 72.7 Ų | 72.7 | 46% | 0.455 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -66 | -15 | 176.6 | -71.1 | -16.1 | 0 | 0 | 0 | 113.4 | F73 N75 | F73-N78 HydrophobicContact CB-CB 4.31Å; F73-N78 HydrophobicContact CD1-CB 4.1Å; F73-N78 WeakPolarHBondContact CD1-O 3.42Å; F73-N78 WeakPolarHBondContact CE1-O 3.06Å; N75-N78 PolarHBondContact O-N 3.2Å; N75-N78 PolarHBondContact OD1-N 2.94Å |
| 79 | M | 85.7 | Confident | 89.1 | Confident | 23 Ų | 23 | 64.4 Ų | 64.4 | 11% | 0.113 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -93.6 | -8 | -179.3 | -168.6 | 167.7 | 172.1 | 0 | 0 | 113.4 | L41 L62 A64 F73 L76 I77 G81 I82 | L41-M79 HydrophobicContact CD2-CE 2.96Å; L41-M79 HydrophobicContact CD2-SD 4.24Å; L41-M79 HydrophobicContact CG-CE 4.43Å; L62-M79 HydrophobicContact CB-SD 4.28Å; A64-M79 HydrophobicContact CB-CE 3.37Å; A64-M79 HydrophobicContact CB-SD 4.47Å; F73-M79 HydrophobicContact CB-CB 4.35Å; F73-M79 HydrophobicContact CD1-CB 4.36Å; F73-M79 HydrophobicContact CD2-CB 4.17Å; F73-M79 HydrophobicContact CD2-CG 3.97Å; F73-M79 HydrophobicContact CD2-SD 4.11Å; F73-M79 HydrophobicContact CE2-CG 4.16Å; F73-M79 HydrophobicContact CG-CB 4.02Å; F73-M79 HydrophobicContact CG-CG 4.33Å; L76-M79 WeakPolarHBondContact O-CB 3.31Å; L76-M79 PolarHBondContact O-N 2.86Å; I77-M79 PolarHBondContact O-N 3.19Å; I77-M79 VanDerWaalsContact O-N 3.15Å; M79-G81 PolarHBondContact O-N 2.77Å; M79-I82 HydrophobicContact CG-CG1 4.43Å; M79-I82 WeakPolarHBondContact O-CB 3.38Å; M79-I82 VanDerWaalsContact O-CG1 3.26Å; M79-I82 WeakPolarHBondContact O-CG1 3.39Å; M79-I82 PolarHBondContact O-N 3.46Å |
| 80 | V | 86.8 | Confident | 89.2 | Confident | 100 Ų | 100 | 60.6 Ų | 60.6 | 61% | 0.606 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | 130.2 | -179.9 | 175.7 | 0 | 0 | 0 | 0 | 110.6 | I77 I82 | I77-V80 WeakPolarHBondContact O-CB 3.23Å; I77-V80 WeakPolarHBondContact O-CG2 3.01Å; I77-V80 PolarHBondContact O-N 2.87Å; V80-I82 VanDerWaalsContact C-N 3.33Å |
| 81 | G | 88.9 | Confident | 89.3 | Confident | 18 Ų | 18 | 59.8 Ų | 59.8 | 19% | 0.186 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73.6 | 21.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114 | M79 S91 I92 | M79-G81 PolarHBondContact O-N 2.77Å; G81-S91 CarbonylContact O-C 3.59Å; G81-S91 WeakPolarHBondContact O-CA 3.44Å; G81-I92 WeakPolarHBondContact O-CG1 3.48Å; G81-I92 PolarHBondContact O-N 2.65Å |
| 82 | I | 92.5 | Very high | 89.3 | Confident | 18 Ų | 18 | 58.6 Ų | 58.6 | 9% | 0.092 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 119.2 | 169.5 | -59.7 | -68.4 | 0 | 0 | 0 | 109.2 | A64 F73 M79 V80 P89 A90 | A64-I82 HydrophobicContact CB-CG2 3.72Å; F73-I82 HydrophobicContact CE1-CD1 3.79Å; F73-I82 HydrophobicContact CE1-CG1 3.76Å; F73-I82 HydrophobicContact CE2-CG1 4.32Å; F73-I82 HydrophobicContact CE2-CG2 4.49Å; F73-I82 HydrophobicContact CZ-CB 4.31Å; F73-I82 HydrophobicContact CZ-CD1 3.66Å; F73-I82 HydrophobicContact CZ-CG1 3.49Å; F73-I82 VanDerWaalsContact CZ-CG1 3.49Å; F73-I82 HydrophobicContact CZ-CG2 4.1Å; M79-I82 HydrophobicContact CG-CG1 4.43Å; M79-I82 WeakPolarHBondContact O-CB 3.38Å; M79-I82 VanDerWaalsContact O-CG1 3.26Å; M79-I82 WeakPolarHBondContact O-CG1 3.39Å; M79-I82 PolarHBondContact O-N 3.46Å; V80-I82 VanDerWaalsContact C-N 3.33Å; I82-P89 HydrophobicContact CG2-CB 4.02Å; I82-A90 CarbonylContact C-O 3.51Å; I82-A90 WeakPolarHBondContact CA-O 3.49Å |
| 83 | E | 92.5 | Very high | 89.4 | Confident | 67 Ų | 67 | 60 Ų | 60 | 31% | 0.313 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 161.3 | 178 | -65.7 | -173.4 | 172 | 0 | 0 | 110.5 | Y36 A90 I92 | Y36-E83 WeakPolarHBondContact CB-OE2 3.41Å; Y36-E83 HydrophobicContact CD1-CB 3.74Å; Y36-E83 HydrophobicContact CE1-CB 4.47Å; Y36-E83 HydrophobicContact CG-CB 4.13Å; Y36-E83 VanDerWaalsContact CG-OE2 3.24Å; E83-A90 PolarHBondContact N-O 3.48Å; E83-A90 PolarHBondContact O-N 2.01Å; E83-A90 VanDerWaalsContact O-O 3.09Å; E83-I92 HydrophobicContact CB-CG2 3.72Å; E83-I92 HydrophobicContact CG-CG2 3.63Å; E83-I92 WeakPolarHBondContact OE2-CG2 3.35Å |
| 84 | C | 93.6 | Very high | 89.7 | Confident | 1 Ų | 1 | 65.9 Ų | 65.9 | 1% | 0.007 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 126.7 | 176.1 | -62.2 | 0 | 0 | 0 | 0 | 111.2 | Y36 H37 P39 C66 R88 | Y36-C84 WeakPolarHBondContact CA-O 3.39Å; Y36-C84 WeakPolarHBondContact CD1-O 3.28Å; H37-C84 WeakPolarHBondContact CE1-CB 3.14Å; H37-C84 PolarHBondContact N-O 3.49Å; H37-C84 VanDerWaalsContact N-O 3.1Å; H37-C84 VanDerWaalsContact ND1-CB 3.35Å; H37-C84 WeakPolarHBondContact ND1-CB 3.36Å; H37-C84 WeakPolarHBondContact NE2-CB 3.46Å; H37-C84 WeakPolarHBondContact O-CB 3.42Å; H37-C84 PolarHBondContact O-N 2.87Å; P39-C84 WeakPolarHBondContact CA-SG 3.37Å; C66-C84 VanDerWaalsContact CA-SG 3.53Å; C66-C84 HydrophobicContact CB-CB 3.73Å; C66-C84 WeakPolarHBondContact CB-SG 3.26Å; C66-C84 WeakPolarHBondContact SG-CA 3.47Å; C66-C84 WeakPolarHBondContact SG-CB 3.38Å; C66-C84 CovalentContact SG-SG 2.01Å; C66-C84 PolarHBondContact SG-SG 2.96Å; C84-R88 WeakPolarHBondContact CA-O 3.33Å |
| 85 | C | 94.5 | Very high | 90.2 | Very high | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.014 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 99.3 | 161.2 | -178.2 | 0 | 0 | 0 | 0 | 108.5 | Y36 D87 R88 C97 G100 E101 L102 | Y36-C85 HydrophobicContact CE1-CB 4.24Å; C85-D87 PolarHBondContact O-N 3.46Å; C85-R88 PolarHBondContact N-O 2.81Å; C85-R88 PolarHBondContact O-N 3.44Å; C85-R88 VanDerWaalsContact O-N 3.14Å; C85-C97 WeakPolarHBondContact CA-SG 3.45Å; C85-C97 HydrophobicContact CB-CB 3.5Å; C85-C97 WeakPolarHBondContact CB-SG 3.41Å; C85-C97 WeakPolarHBondContact SG-CA 3.46Å; C85-C97 WeakPolarHBondContact SG-CB 3.45Å; C85-C97 CovalentContact SG-SG 2.02Å; C85-C97 PolarHBondContact SG-SG 2.02Å; C85-G100 VanDerWaalsContact SG-C 3.58Å; C85-G100 PolarHBondContact SG-O 2.89Å; C85-E101 PolarHBondContact SG-O 3.18Å; C85-L102 HydrophobicContact CB-CB 4.27Å; C85-L102 HydrophobicContact CB-CD1 3.67Å |
| 86 | G | 91.9 | Very high | 90.9 | Very high | 22 Ų | 22 | 57.9 Ų | 57.9 | 23% | 0.227 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | -123.9 | -165.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | H37 R88 | H37-G86 PolarHBondContact NE2-O 3.2Å; H37-G86 VanDerWaalsContact NE2-O 3.13Å; G86-R88 VanDerWaalsContact C-N 3.28Å; G86-R88 PolarHBondContact O-N 3.29Å |
| 87 | D | 93.3 | Very high | 91.5 | Very high | 91 Ų | 91 | 51.8 Ų | 51.8 | 49% | 0.487 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 11.4 | -175.4 | -56.6 | -28.4 | 0 | 0 | 0 | 113.8 | C66 N67 N69 C85 | C66-D87 VanDerWaalsContact CB-C 3.46Å; N67-D87 PolarHBondContact ND2-OD1 2.9Å; N69-D87 VanDerWaalsContact CB-O 3.23Å; N69-D87 WeakPolarHBondContact CB-O 3.41Å; N69-D87 PolarHBondContact ND2-O 3.14Å; C85-D87 PolarHBondContact O-N 3.46Å |
| 88 | R | 93.2 | Very high | 92.1 | Very high | 150 Ų | 150 | 45.2 Ų | 45.2 | 57% | 0.566 | 24% | 0.235 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 125.1 | -172.2 | -64.7 | 177.3 | 67 | 177.1 | 0.4 | 111.8 | C66 C84 C85 G86 A90 | C66-R88 VanDerWaalsContact SG-C 3.55Å; C84-R88 WeakPolarHBondContact CA-O 3.33Å; C85-R88 PolarHBondContact N-O 2.81Å; C85-R88 PolarHBondContact O-N 3.44Å; C85-R88 VanDerWaalsContact O-N 3.14Å; G86-R88 VanDerWaalsContact C-N 3.28Å; G86-R88 PolarHBondContact O-N 3.29Å; R88-A90 PolarHBondContact O-N 2.96Å |
| 89 | P | 92.9 | Very high | 92.5 | Very high | 15 Ų | 15 | 47.1 Ų | 47.1 | 10% | 0.097 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 133.1 | 169.6 | -8 | 20.7 | 0 | 0 | 0 | 109.5 | A64 C66 N69 L71 I82 | A64-P89 WeakPolarHBondContact O-CG 2.98Å; C66-P89 HydrophobicContact CB-CG 4.08Å; C66-P89 WeakPolarHBondContact SG-CA 3.33Å; C66-P89 VanDerWaalsContact SG-CG 3.57Å; N69-P89 WeakPolarHBondContact O-CD 3.38Å; N69-P89 WeakPolarHBondContact O-CG 3.28Å; L71-P89 HydrophobicContact CB-CB 4.43Å; L71-P89 HydrophobicContact CD1-CB 3.93Å; L71-P89 WeakPolarHBondContact CD1-O 3.46Å; L71-P89 HydrophobicContact CG-CB 3.95Å; L71-P89 HydrophobicContact CG-CG 4.21Å; I82-P89 HydrophobicContact CG2-CB 4.02Å |
| 90 | A | 93.2 | Very high | 92.7 | Very high | 3 Ų | 3 | 47.6 Ų | 47.6 | 3% | 0.025 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 154.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | I82 E83 R88 N95 L102 | I82-A90 CarbonylContact C-O 3.51Å; I82-A90 WeakPolarHBondContact CA-O 3.49Å; E83-A90 PolarHBondContact N-O 3.48Å; E83-A90 PolarHBondContact O-N 2.01Å; E83-A90 VanDerWaalsContact O-O 3.09Å; R88-A90 PolarHBondContact O-N 2.96Å; A90-N95 HydrophobicContact CB-CB 4.12Å; A90-L102 HydrophobicContact CB-CD1 3.33Å; A90-L102 HydrophobicContact CB-CD2 4Å; A90-L102 HydrophobicContact CB-CG 4.33Å |
| 91 | S | 92.4 | Very high | 93.1 | Very high | 20 Ų | 20 | 47.4 Ų | 47.4 | 14% | 0.14 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 119.1 | 175.9 | 176 | 0 | 0 | 0 | 0 | 109.7 | G81 I93 K94 N95 | G81-S91 CarbonylContact O-C 3.59Å; G81-S91 WeakPolarHBondContact O-CA 3.44Å; S91-I93 PolarHBondContact O-N 3.13Å; S91-I93 PolarHBondContact OG-N 2.84Å; S91-K94 PolarHBondContact O-N 3.06Å; S91-N95 PolarHBondContact N-OD1 3.49Å; S91-N95 WeakPolarHBondContact O-CA 2.94Å; S91-N95 WeakPolarHBondContact O-CB 3.1Å; S91-N95 PolarHBondContact O-N 2.88Å; S91-N95 PolarHBondContact O-OD1 2.89Å |
| 92 | I | 90.9 | Very high | 93.4 | Very high | 48 Ų | 48 | 48.8 Ų | 48.8 | 25% | 0.246 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -13.3 | 175 | 71.3 | -175.4 | 0 | 0 | 0 | 113.1 | Y36 G81 E83 R105 | Y36-I92 HydrophobicContact CD1-CG2 4.3Å; Y36-I92 HydrophobicContact CD2-CG2 4.32Å; Y36-I92 HydrophobicContact CE1-CG2 4.13Å; Y36-I92 HydrophobicContact CE2-CG2 4.15Å; Y36-I92 HydrophobicContact CG-CG2 4.4Å; G81-I92 WeakPolarHBondContact O-CG1 3.48Å; G81-I92 PolarHBondContact O-N 2.65Å; E83-I92 HydrophobicContact CB-CG2 3.72Å; E83-I92 HydrophobicContact CG-CG2 3.63Å; E83-I92 WeakPolarHBondContact OE2-CG2 3.35Å; I92-R105 PolarHBondContact O-NE 3.07Å; I92-R105 PolarHBondContact O-NH2 2.84Å |
| 93 | I | 90 | Very high | 93.6 | Very high | 115 Ų | 115 | 50.4 Ų | 50.4 | 59% | 0.59 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -36.3 | 177.4 | -55.2 | 172.8 | 0 | 0 | 0 | 110.6 | S91 R105 | S91-I93 PolarHBondContact O-N 3.13Å; S91-I93 PolarHBondContact OG-N 2.84Å; I93-R105 WeakPolarHBondContact O-CD 3.35Å |
| 94 | K | 93.6 | Very high | 93.8 | Very high | 148 Ų | 148 | 52.4 Ų | 52.4 | 64% | 0.643 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | -28.4 | -176.7 | -63.9 | -176 | 178.5 | 179 | 0 | 113 | S91 R105 | S91-K94 PolarHBondContact O-N 3.06Å; K94-R105 WeakPolarHBondContact O-CB 3.31Å; K94-R105 PolarHBondContact O-N 3.2Å |
| 95 | N | 95.6 | Very high | 93.9 | Very high | 24 Ų | 24 | 54.3 Ų | 54.3 | 13% | 0.128 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 155.4 | -170.5 | -55.1 | 106.5 | 0 | 0 | 0 | 111.7 | Y36 A90 S91 L102 H103 D104 R105 | Y36-N95 PolarHBondContact OH-O 2.74Å; A90-N95 HydrophobicContact CB-CB 4.12Å; S91-N95 PolarHBondContact N-OD1 3.49Å; S91-N95 WeakPolarHBondContact O-CA 2.94Å; S91-N95 WeakPolarHBondContact O-CB 3.1Å; S91-N95 PolarHBondContact O-N 2.88Å; S91-N95 PolarHBondContact O-OD1 2.89Å; N95-L102 HydrophobicContact CB-CD1 3.58Å; N95-L102 HydrophobicContact CB-CG 4.41Å; N95-H103 CarbonylContact C-O 3.58Å; N95-H103 WeakPolarHBondContact CA-O 3.26Å; N95-H103 WeakPolarHBondContact CB-O 3.47Å; N95-H103 PolarHBondContact ND2-O 2.81Å; N95-D104 PolarHBondContact ND2-OD1 2.85Å; N95-D104 VanDerWaalsContact ND2-OD1 3.15Å; N95-R105 VanDerWaalsContact C-CG 3.46Å; N95-R105 WeakPolarHBondContact O-CD 3.44Å; N95-R105 WeakPolarHBondContact O-CG 3.48Å; N95-R105 PolarHBondContact O-NE 3.03Å |
| 96 | I | 95.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 135.3 | 172.6 | -174.1 | 169.8 | 0 | 0 | 0 | 107.9 | V34 Y36 H103 R105 D113 P120 | V34-I96 HydrophobicContact CG2-CD1 4.36Å; V34-I96 HydrophobicContact CG2-CG1 4.42Å; Y36-I96 WeakPolarHBondContact OH-CA 2.98Å; Y36-I96 PolarHBondContact OH-N 2.94Å; I96-H103 HydrophobicContact CG2-CB 3.85Å; I96-H103 PolarHBondContact N-O 2.76Å; I96-H103 PolarHBondContact O-N 3.43Å; I96-R105 HydrophobicContact CB-CG 3.87Å; I96-R105 HydrophobicContact CG2-CG 4.29Å; I96-D113 VanDerWaalsContact CD1-C 3.46Å; I96-P120 HydrophobicContact CG2-CB 3.76Å; I96-P120 HydrophobicContact CG2-CG 4.48Å |
| 97 | C | 95.7 | Very high | 94 | Very high | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 113.1 | 179 | -169.4 | 0 | 0 | 0 | 0 | 110.1 | V34 S35 Y36 C85 E101 | V34-C97 VanDerWaalsContact CA-O 3.28Å; V34-C97 WeakPolarHBondContact CA-O 3.19Å; S35-C97 PolarHBondContact N-O 3.07Å; S35-C97 VanDerWaalsContact N-O 3.1Å; S35-C97 PolarHBondContact O-SG 2.03Å; Y36-C97 HydrophobicContact CD1-CB 3.86Å; Y36-C97 HydrophobicContact CD2-CB 4.39Å; Y36-C97 HydrophobicContact CE1-CB 3.48Å; Y36-C97 VanDerWaalsContact CE1-CB 3.48Å; Y36-C97 HydrophobicContact CE2-CB 4.06Å; Y36-C97 HydrophobicContact CG-CB 4.29Å; Y36-C97 PolarHBondContact OH-N 2.75Å; C85-C97 WeakPolarHBondContact CA-SG 3.45Å; C85-C97 HydrophobicContact CB-CB 3.5Å; C85-C97 WeakPolarHBondContact CB-SG 3.41Å; C85-C97 WeakPolarHBondContact SG-CA 3.46Å; C85-C97 WeakPolarHBondContact SG-CB 3.45Å; C85-C97 CovalentContact SG-SG 2.02Å; C85-C97 PolarHBondContact SG-SG 2.02Å; C97-E101 CarbonylContact C-O 3.5Å; C97-E101 WeakPolarHBondContact CA-O 3.4Å |
| 98 | C | 95.8 | Very high | 94 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 107.2 | -179.2 | -64.5 | 0 | 0 | 0 | 0 | 109.8 | G100 E101 C115 T118 | C98-G100 PolarHBondContact O-N 3.2Å; C98-E101 PolarHBondContact N-O 3.1Å; C98-E101 WeakPolarHBondContact O-CB 3.26Å; C98-E101 PolarHBondContact O-N 3.33Å; C98-C115 WeakPolarHBondContact CA-SG 2.93Å; C98-C115 HydrophobicContact CB-CB 3.62Å; C98-C115 WeakPolarHBondContact CB-SG 3.47Å; C98-C115 WeakPolarHBondContact SG-CB 3.28Å; C98-C115 CovalentContact SG-SG 2.03Å; C98-C115 PolarHBondContact SG-SG 3.44Å; C98-T118 VanDerWaalsContact CB-C 3.48Å; C98-T118 WeakPolarHBondContact CB-O 3.42Å |
| 99 | K | 93.3 | Very high | 94 | Very high | 124 Ų | 124 | 68.6 Ų | 68.6 | 54% | 0.539 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.6 | 42.6 | -176 | -65.9 | -172.1 | 173.7 | -174.7 | 0 | 113.5 | N33 S35 E101 T118 | N33-K99 PolarHBondContact O-N 3.1Å; S35-K99 PolarHBondContact OG-N 3.18Å; K99-E101 VanDerWaalsContact C-N 3.3Å; K99-E101 PolarHBondContact O-N 3.39Å; K99-T118 HydrophobicContact CB-CG2 3.97Å; K99-T118 HydrophobicContact CD-CG2 4.43Å |
| 100 | G | 91.3 | Very high | 94.1 | Very high | 34 Ų | 34 | 72.9 Ų | 72.9 | 35% | 0.351 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.9 | -5.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | S35 C85 C98 | S35-G100 PolarHBondContact OG-N 3.28Å; C85-G100 VanDerWaalsContact SG-C 3.58Å; C85-G100 PolarHBondContact SG-O 2.89Å; C98-G100 PolarHBondContact O-N 3.2Å |
| 101 | E | 94.4 | Very high | 94.2 | Very high | 96 Ų | 96 | 77.6 Ų | 77.6 | 45% | 0.449 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 127.5 | 173.9 | -64.8 | -174.9 | -157.3 | 0 | 0 | 110.8 | C85 C97 C98 K99 H103 T118 | C85-E101 PolarHBondContact SG-O 3.18Å; C97-E101 CarbonylContact C-O 3.5Å; C97-E101 WeakPolarHBondContact CA-O 3.4Å; C98-E101 PolarHBondContact N-O 3.1Å; C98-E101 WeakPolarHBondContact O-CB 3.26Å; C98-E101 PolarHBondContact O-N 3.33Å; K99-E101 VanDerWaalsContact C-N 3.3Å; K99-E101 PolarHBondContact O-N 3.39Å; E101-H103 WeakPolarHBondContact CB-NE2 3.43Å; E101-H103 PolarHBondContact O-CD2 2.96Å; E101-H103 IonicContact OE2-NE2 3.98Å; E101-T118 HydrophobicContact CG-CG2 4.26Å; E101-T118 VanDerWaalsContact OE1-CG2 3.26Å; E101-T118 WeakPolarHBondContact OE1-CG2 3.39Å |
| 102 | L | 94.9 | Very high | 94.3 | Very high | 46 Ų | 46 | 77.9 Ų | 77.9 | 24% | 0.241 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 125.3 | -176.9 | -174.6 | 68.6 | 0 | 0 | 0 | 110.9 | C85 A90 N95 | C85-L102 HydrophobicContact CB-CB 4.27Å; C85-L102 HydrophobicContact CB-CD1 3.67Å; A90-L102 HydrophobicContact CB-CD1 3.33Å; A90-L102 HydrophobicContact CB-CD2 4Å; A90-L102 HydrophobicContact CB-CG 4.33Å; N95-L102 HydrophobicContact CB-CD1 3.58Å; N95-L102 HydrophobicContact CB-CG 4.41Å |
| 103 | H | 96.7 | Very high | 94.5 | Very high | 52 Ų | 52 | 78.9 Ų | 78.9 | 24% | 0.241 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 161.5 | 176.7 | -53.8 | -85.9 | 0 | 0 | 0 | 111.8 | N95 I96 E101 T118 P120 | N95-H103 CarbonylContact C-O 3.58Å; N95-H103 WeakPolarHBondContact CA-O 3.26Å; N95-H103 WeakPolarHBondContact CB-O 3.47Å; N95-H103 PolarHBondContact ND2-O 2.81Å; I96-H103 HydrophobicContact CG2-CB 3.85Å; I96-H103 PolarHBondContact N-O 2.76Å; I96-H103 PolarHBondContact O-N 3.43Å; E101-H103 WeakPolarHBondContact CB-NE2 3.43Å; E101-H103 PolarHBondContact O-CD2 2.96Å; E101-H103 IonicContact OE2-NE2 3.98Å; H103-T118 PolarHBondContact NE2-O 3.16Å; H103-P120 HydrophobicContact CB-CB 4.47Å; H103-P120 HydrophobicContact CB-CG 3.79Å |
| 104 | D | 96.7 | Very high | 94.7 | Very high | 110 Ų | 110 | 76.3 Ų | 76.3 | 59% | 0.588 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78 | 136.3 | 169.6 | -66.2 | -39.3 | 0 | 0 | 0 | 110.5 | N95 R106 | N95-D104 PolarHBondContact ND2-OD1 2.85Å; N95-D104 VanDerWaalsContact ND2-OD1 3.15Å; D104-R106 PolarHBondContact O-N 3.36Å |
| 105 | R | 95.7 | Very high | 94.8 | Very high | 41 Ų | 41 | 69.4 Ų | 69.4 | 16% | 0.155 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -69.1 | -17.8 | 174.3 | -80.5 | 179.9 | 176.9 | -110.6 | 10.9 | 113.1 | I92 I93 K94 N95 I96 Y111 F112 | I92-R105 PolarHBondContact O-NE 3.07Å; I92-R105 PolarHBondContact O-NH2 2.84Å; I93-R105 WeakPolarHBondContact O-CD 3.35Å; K94-R105 WeakPolarHBondContact O-CB 3.31Å; K94-R105 PolarHBondContact O-N 3.2Å; N95-R105 VanDerWaalsContact C-CG 3.46Å; N95-R105 WeakPolarHBondContact O-CD 3.44Å; N95-R105 WeakPolarHBondContact O-CG 3.48Å; N95-R105 PolarHBondContact O-NE 3.03Å; I96-R105 HydrophobicContact CB-CG 3.87Å; I96-R105 HydrophobicContact CG2-CG 4.29Å; R105-Y111 HydrophobicContact CB-CD2 4.31Å; R105-Y111 HydrophobicContact CB-CE2 3.9Å; R105-Y111 PolarHBondContact NH1-OH 2.85Å; R105-Y111 CarbonylContact O-C 3.5Å; R105-Y111 VanDerWaalsContact O-CA 3.31Å; R105-Y111 WeakPolarHBondContact O-CA 3.45Å; R105-F112 WeakPolarHBondContact CG-O 3.03Å; R105-F112 PolarHBondContact O-N 3.03Å |
| 106 | R | 95.9 | Very high | 94.8 | Very high | 160 Ų | 160 | 68.3 Ų | 68.3 | 60% | 0.604 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 124.8 | -174.8 | -174.8 | 176.6 | -70.1 | -82 | 0.4 | 110.5 | D104 G108 R110 | D104-R106 PolarHBondContact O-N 3.36Å; R106-G108 WeakPolarHBondContact CG-O 3.31Å; R106-R110 WeakPolarHBondContact CA-O 3.04Å |
| 107 | N | 93.4 | Very high | 94.8 | Very high | 119 Ų | 119 | 69 Ų | 69 | 64% | 0.636 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 106.9 | 166.9 | -175.8 | 3.3 | 0 | 0 | 0 | 108.7 | Y109 R110 F112 | N107-Y109 PolarHBondContact O-N 3.27Å; N107-R110 PolarHBondContact N-O 2.93Å; N107-R110 PolarHBondContact O-N 3.2Å; N107-R110 VanDerWaalsContact O-N 3.11Å; N107-F112 HydrophobicContact CB-CE2 3.55Å; N107-F112 HydrophobicContact CB-CZ 4.05Å |
| 108 | G | 93.2 | Very high | 94.7 | Very high | 55 Ų | 55 | 71.3 Ų | 71.3 | 57% | 0.567 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.7 | -120.9 | -169.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | R106 | R106-G108 WeakPolarHBondContact CG-O 3.31Š|
| 109 | Y | 92.5 | Very high | 94.6 | Very high | 231 Ų | 231 | 77.4 Ų | 77.4 | 91% | 0.906 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -16.9 | -179.9 | -57.6 | -75.3 | 0 | 0 | 0 | 113.9 | N107 | N107-Y109 PolarHBondContact O-N 3.27Š|
| 110 | R | 94.5 | Very high | 94.8 | Very high | 105 Ų | 105 | 72.7 Ų | 72.7 | 40% | 0.396 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 139.8 | -177.2 | -70.9 | -169.4 | 176.2 | 128 | -6.8 | 111.2 | R106 N107 F112 A122 D124 D134 | R106-R110 WeakPolarHBondContact CA-O 3.04Å; N107-R110 PolarHBondContact N-O 2.93Å; N107-R110 PolarHBondContact O-N 3.2Å; N107-R110 VanDerWaalsContact O-N 3.11Å; R110-F112 HydrophobicContact CB-CE1 4.43Å; R110-F112 HydrophobicContact CB-CZ 4.17Å; R110-A122 HydrophobicContact CB-CB 4.36Å; R110-D124 IonicContact CZ-OD2 3.57Å; R110-D124 IonicContact NE-OD1 3.83Å; R110-D124 IonicContact NE-OD2 2.81Å; R110-D124 PolarHBondContact NE-OD2 2.86Å; R110-D124 IonicContact NH2-OD2 3.06Å; R110-D134 IonicContact NH2-OD1 3.82Å |
| 111 | Y | 95.5 | Very high | 95 | Very high | 102 Ų | 102 | 71.6 Ų | 71.6 | 40% | 0.4 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 117.2 | 173 | -175.5 | -101.6 | 0 | 0 | 0 | 108.7 | R105 D113 A122 | R105-Y111 HydrophobicContact CB-CD2 4.31Å; R105-Y111 HydrophobicContact CB-CE2 3.9Å; R105-Y111 PolarHBondContact NH1-OH 2.85Å; R105-Y111 CarbonylContact O-C 3.5Å; R105-Y111 VanDerWaalsContact O-CA 3.31Å; R105-Y111 WeakPolarHBondContact O-CA 3.45Å; Y111-D113 HydrophobicContact CD1-CB 4.07Å; Y111-D113 HydrophobicContact CE1-CB 3.78Å; Y111-A122 WeakPolarHBondContact O-CA 3.34Å; Y111-A122 VanDerWaalsContact O-CB 3.26Å; Y111-A122 WeakPolarHBondContact O-CB 2.96Å |
| 112 | F | 95.9 | Very high | 95 | Very high | 25 Ų | 25 | 67.1 Ų | 67.1 | 11% | 0.11 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 120.2 | 178.3 | -50.6 | -76.1 | 0 | 0 | 0 | 109.8 | R105 N107 R110 P120 A122 | R105-F112 WeakPolarHBondContact CG-O 3.03Å; R105-F112 PolarHBondContact O-N 3.03Å; N107-F112 HydrophobicContact CB-CE2 3.55Å; N107-F112 HydrophobicContact CB-CZ 4.05Å; R110-F112 HydrophobicContact CB-CE1 4.43Å; R110-F112 HydrophobicContact CB-CZ 4.17Å; F112-P120 HydrophobicContact CB-CB 3.78Å; F112-P120 HydrophobicContact CD1-CB 4.34Å; F112-P120 HydrophobicContact CG-CB 4.05Å; F112-A122 HydrophobicContact CD1-CB 3.89Å; F112-A122 HydrophobicContact CE1-CB 4.17Å |
| 113 | D | 94.2 | Very high | 94.9 | Very high | 69 Ų | 69 | 69.1 Ų | 69.1 | 37% | 0.369 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | -3 | -177.2 | 62.5 | -24.2 | 0 | 0 | 0 | 112.8 | I96 Y111 | I96-D113 VanDerWaalsContact CD1-C 3.46Å; Y111-D113 HydrophobicContact CD1-CB 4.07Å; Y111-D113 HydrophobicContact CE1-CB 3.78Å |
| 114 | R | 95.1 | Very high | 94.8 | Very high | 61 Ų | 61 | 69 Ų | 69 | 23% | 0.23 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 161.4 | -175.1 | -57.8 | 176.5 | 75 | 178.3 | -6.7 | 111.3 | Y31 P120 Y121 | Y31-R114 PolarHBondContact OH-NH1 3.39Å; Y31-R114 PolarHBondContact OH-NH2 2.02Å; R114-P120 CarbonylContact O-C 3.53Å; R114-P120 VanDerWaalsContact O-CA 3.31Å; R114-P120 WeakPolarHBondContact O-CA 3.21Å; R114-Y121 HydrophobicContact CB-CD1 3.91Å; R114-Y121 HydrophobicContact CB-CE1 3.39Å; R114-Y121 HydrophobicContact CB-CE2 4.06Å; R114-Y121 HydrophobicContact CB-CG 4.45Å; R114-Y121 VanDerWaalsContact CB-CZ 3.48Å; R114-Y121 PolarHBondContact N-O 3.35Å; R114-Y121 PolarHBondContact NE-OH 2.82Å; R114-Y121 PolarHBondContact NH2-OH 3.5Å; R114-Y121 PolarHBondContact O-N 3.32Å |
| 115 | C | 96.3 | Very high | 94.7 | Very high | 4 Ų | 4 | 64.9 Ų | 64.9 | 3% | 0.027 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 133 | -177.5 | -63.6 | 0 | 0 | 0 | 0 | 111.6 | N33 C98 K119 | N33-C115 HydrophobicContact CB-CB 3.67Å; C98-C115 WeakPolarHBondContact CA-SG 2.93Å; C98-C115 HydrophobicContact CB-CB 3.62Å; C98-C115 WeakPolarHBondContact CB-SG 3.47Å; C98-C115 WeakPolarHBondContact SG-CB 3.28Å; C98-C115 CovalentContact SG-SG 2.03Å; C98-C115 PolarHBondContact SG-SG 3.44Å; C115-K119 CarbonylContact C-O 3.5Å; C115-K119 WeakPolarHBondContact CA-O 3.15Å |
| 116 | C | 95.5 | Very high | 94.7 | Very high | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.007 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 89.6 | 172.4 | -171 | 0 | 0 | 0 | 0 | 107.8 | T118 K119 Y121 C127 G130 V132 | C116-T118 PolarHBondContact O-N 2.81Å; C116-K119 PolarHBondContact N-O 3.43Å; C116-K119 PolarHBondContact O-N 2.83Å; C116-K119 VanDerWaalsContact O-N 3.07Å; C116-Y121 HydrophobicContact CB-CD1 3.76Å; C116-Y121 HydrophobicContact CB-CE1 4.16Å; C116-C127 WeakPolarHBondContact CA-SG 3.03Å; C116-C127 HydrophobicContact CB-CB 3.55Å; C116-C127 WeakPolarHBondContact CB-SG 3.28Å; C116-C127 WeakPolarHBondContact SG-CB 3.28Å; C116-C127 CovalentContact SG-SG 2.02Å; C116-C127 PolarHBondContact SG-SG 3.24Å; C116-G130 VanDerWaalsContact SG-CA 3.54Å; C116-V132 HydrophobicContact CB-CG2 3.5Å; C116-V132 VanDerWaalsContact CB-CG2 3.5Å |
| 117 | G | 93.8 | Very high | 94.6 | Very high | 15 Ų | 15 | 57.2 Ų | 57.2 | 16% | 0.155 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | -124 | -163.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | K119 | G117-K119 VanDerWaalsContact C-N 3.35Š|
| 118 | T | 94.5 | Very high | 94.7 | Very high | 48 Ų | 48 | 51.6 Ų | 51.6 | 29% | 0.294 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | -6.3 | 175.9 | 59.2 | 0 | 0 | 0 | 0 | 113.1 | C98 K99 E101 H103 C116 | C98-T118 VanDerWaalsContact CB-C 3.48Å; C98-T118 WeakPolarHBondContact CB-O 3.42Å; K99-T118 HydrophobicContact CB-CG2 3.97Å; K99-T118 HydrophobicContact CD-CG2 4.43Å; E101-T118 HydrophobicContact CG-CG2 4.26Å; E101-T118 VanDerWaalsContact OE1-CG2 3.26Å; E101-T118 WeakPolarHBondContact OE1-CG2 3.39Å; H103-T118 PolarHBondContact NE2-O 3.16Å; C116-T118 PolarHBondContact O-N 2.81Å |
| 119 | K | 94.5 | Very high | 94.7 | Very high | 128 Ų | 128 | 52.6 Ų | 52.6 | 56% | 0.557 | 27% | 0.265 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 128 | -174.6 | -66.2 | -179.8 | -178.5 | 175.7 | 0 | 111.6 | C115 C116 G117 V132 | C115-K119 CarbonylContact C-O 3.5Å; C115-K119 WeakPolarHBondContact CA-O 3.15Å; C116-K119 PolarHBondContact N-O 3.43Å; C116-K119 PolarHBondContact O-N 2.83Å; C116-K119 VanDerWaalsContact O-N 3.07Å; G117-K119 VanDerWaalsContact C-N 3.35Å; K119-V132 HydrophobicContact CB-CG2 4.29Å |
| 120 | P | 96 | Very high | 94.7 | Very high | 25 Ų | 25 | 43.7 Ų | 43.7 | 16% | 0.162 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 145.2 | 170.6 | 31.2 | -36 | 0 | 0 | 0 | 110.6 | I96 H103 F112 R114 | I96-P120 HydrophobicContact CG2-CB 3.76Å; I96-P120 HydrophobicContact CG2-CG 4.48Å; H103-P120 HydrophobicContact CB-CB 4.47Å; H103-P120 HydrophobicContact CB-CG 3.79Å; F112-P120 HydrophobicContact CB-CB 3.78Å; F112-P120 HydrophobicContact CD1-CB 4.34Å; F112-P120 HydrophobicContact CG-CB 4.05Å; R114-P120 CarbonylContact O-C 3.53Å; R114-P120 VanDerWaalsContact O-CA 3.31Å; R114-P120 WeakPolarHBondContact O-CA 3.21Å |
| 121 | Y | 95.6 | Very high | 94.6 | Very high | 11 Ų | 11 | 44.7 Ų | 44.7 | 4% | 0.043 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 153.7 | 172.9 | 76.5 | -83.5 | 0 | 0 | 0 | 111.5 | R114 C116 Q125 C127 | R114-Y121 HydrophobicContact CB-CD1 3.91Å; R114-Y121 HydrophobicContact CB-CE1 3.39Å; R114-Y121 HydrophobicContact CB-CE2 4.06Å; R114-Y121 HydrophobicContact CB-CG 4.45Å; R114-Y121 VanDerWaalsContact CB-CZ 3.48Å; R114-Y121 PolarHBondContact N-O 3.35Å; R114-Y121 PolarHBondContact NE-OH 2.82Å; R114-Y121 PolarHBondContact NH2-OH 3.5Å; R114-Y121 PolarHBondContact O-N 3.32Å; C116-Y121 HydrophobicContact CB-CD1 3.76Å; C116-Y121 HydrophobicContact CB-CE1 4.16Å; Y121-Q125 HydrophobicContact CD2-CB 4.17Å; Y121-C127 HydrophobicContact CD1-CB 4.35Å; Y121-C127 HydrophobicContact CE1-CB 3.95Å |
| 122 | A | 95.4 | Very high | 94.6 | Very high | 2 Ų | 2 | 41.5 Ų | 41.5 | 2% | 0.017 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 169.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | R110 Y111 F112 D124 Q125 | R110-A122 HydrophobicContact CB-CB 4.36Å; Y111-A122 WeakPolarHBondContact O-CA 3.34Å; Y111-A122 VanDerWaalsContact O-CB 3.26Å; Y111-A122 WeakPolarHBondContact O-CB 2.96Å; F112-A122 HydrophobicContact CD1-CB 3.89Å; F112-A122 HydrophobicContact CE1-CB 4.17Å; A122-D124 WeakPolarHBondContact CB-OD1 3.37Å; A122-D124 PolarHBondContact O-N 2.8Å; A122-D124 VanDerWaalsContact O-N 3.16Å; A122-Q125 HydrophobicContact CB-CG 4.48Å; A122-Q125 WeakPolarHBondContact O-CB 3.5Å; A122-Q125 PolarHBondContact O-N 3.46Å |
| 123 | A | 92.6 | Very high | 94.6 | Very high | 87 Ų | 87 | 42 Ų | 42 | 72% | 0.719 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -20.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q125 | A123-Q125 VanDerWaalsContact C-N 3.27Š|
| 124 | D | 93.7 | Very high | 94.6 | Very high | 50 Ų | 50 | 43.8 Ų | 43.8 | 27% | 0.267 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | 12.9 | 173.8 | 67 | -36.9 | 0 | 0 | 0 | 113.2 | R110 A122 G135 V136 | R110-D124 IonicContact CZ-OD2 3.57Å; R110-D124 IonicContact NE-OD1 3.83Å; R110-D124 IonicContact NE-OD2 2.81Å; R110-D124 PolarHBondContact NE-OD2 2.86Å; R110-D124 IonicContact NH2-OD2 3.06Å; A122-D124 WeakPolarHBondContact CB-OD1 3.37Å; A122-D124 PolarHBondContact O-N 2.8Å; A122-D124 VanDerWaalsContact O-N 3.16Å; D124-G135 CarbonylContact C-O 3.53Å; D124-G135 CarbonylContact O-C 3.51Å; D124-G135 WeakPolarHBondContact O-CA 3.26Å; D124-G135 PolarHBondContact O-N 2.74Å; D124-G135 VanDerWaalsContact O-O 3.07Å; D124-V136 HydrophobicContact CB-CG2 3.84Å |
| 125 | Q | 95.1 | Very high | 94.4 | Very high | 24 Ų | 24 | 42 Ų | 42 | 11% | 0.112 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 159.3 | -179.4 | -55.2 | -178.4 | -64.9 | 0 | 0 | 110.3 | Y121 A122 A123 V132 H133 D134 | Y121-Q125 HydrophobicContact CD2-CB 4.17Å; A122-Q125 HydrophobicContact CB-CG 4.48Å; A122-Q125 WeakPolarHBondContact O-CB 3.5Å; A122-Q125 PolarHBondContact O-N 3.46Å; A123-Q125 VanDerWaalsContact C-N 3.27Å; Q125-V132 HydrophobicContact CB-CG1 3.87Å; Q125-V132 HydrophobicContact CG-CG1 4.33Å; Q125-H133 CarbonylContact C-O 3.57Å; Q125-H133 VanDerWaalsContact CA-O 3.24Å; Q125-H133 WeakPolarHBondContact CA-O 3.24Å; Q125-H133 WeakPolarHBondContact CB-O 3.43Å; Q125-D134 PolarHBondContact NE2-OD1 2.76Å |
| 126 | T | 94.9 | Very high | 94.1 | Very high | 24 Ų | 24 | 47.4 Ų | 47.4 | 15% | 0.147 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 134.9 | 179.8 | -60.8 | 0 | 0 | 0 | 0 | 110.1 | H133 L138 | T126-H133 PolarHBondContact N-O 3.09Å; T126-H133 PolarHBondContact O-N 2.04Å; T126-L138 HydrophobicContact CG2-CB 4.35Å; T126-L138 PolarHBondContact OG1-O 3.06Å |
| 127 | C | 95.2 | Very high | 93.6 | Very high | 16 Ų | 16 | 49.4 Ų | 49.4 | 11% | 0.108 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 119.7 | 174.3 | -180 | 0 | 0 | 0 | 0 | 110.1 | C116 Y121 K131 C140 | C116-C127 WeakPolarHBondContact CA-SG 3.03Å; C116-C127 HydrophobicContact CB-CB 3.55Å; C116-C127 WeakPolarHBondContact CB-SG 3.28Å; C116-C127 WeakPolarHBondContact SG-CB 3.28Å; C116-C127 CovalentContact SG-SG 2.02Å; C116-C127 PolarHBondContact SG-SG 3.24Å; Y121-C127 HydrophobicContact CD1-CB 4.35Å; Y121-C127 HydrophobicContact CE1-CB 3.95Å; C127-K131 CarbonylContact C-O 3.59Å; C127-K131 WeakPolarHBondContact CA-O 3.03Å; C127-C140 PolarHBondContact O-SG 3.22Å |
| 128 | C | 95.3 | Very high | 93.6 | Very high | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.007 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 115.7 | 174.6 | -57.6 | 0 | 0 | 0 | 0 | 109.8 | G130 K131 C140 | C128-G130 VanDerWaalsContact C-N 3.25Å; C128-G130 PolarHBondContact O-N 3.37Å; C128-K131 PolarHBondContact N-O 3.22Å; C128-K131 WeakPolarHBondContact O-CB 3.42Å; C128-K131 PolarHBondContact O-N 2.8Å; C128-C140 WeakPolarHBondContact CA-SG 3.43Å; C128-C140 HydrophobicContact CB-CB 3.66Å; C128-C140 WeakPolarHBondContact CB-SG 2.98Å; C128-C140 WeakPolarHBondContact SG-CA 3.39Å; C128-C140 WeakPolarHBondContact SG-CB 3.33Å; C128-C140 CovalentContact SG-SG 2.04Å; C128-C140 PolarHBondContact SG-SG 3.02Å |
| 129 | S | 93 | Very high | 93.6 | Very high | 75 Ų | 75 | 49.1 Ų | 49.1 | 52% | 0.524 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.1 | 45.5 | -178.4 | -56.6 | 0 | 0 | 0 | 0 | 113.5 | K131 G142 | S129-K131 VanDerWaalsContact C-N 3.3Å; S129-K131 PolarHBondContact O-N 3.29Å; S129-G142 PolarHBondContact OG-O 3.22Å |
| 130 | G | 92.1 | Very high | 93.6 | Very high | 44 Ų | 44 | 45.7 Ų | 45.7 | 45% | 0.454 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.6 | 2.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | C116 C128 | C116-G130 VanDerWaalsContact SG-CA 3.54Å; C128-G130 VanDerWaalsContact C-N 3.25Å; C128-G130 PolarHBondContact O-N 3.37Å |
| 131 | K | 93.5 | Very high | 93.6 | Very high | 126 Ų | 126 | 44.6 Ų | 44.6 | 55% | 0.548 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 128.5 | 173.6 | -172.2 | 174.7 | 177.8 | -179.9 | 0 | 111.1 | C127 C128 S129 H133 | C127-K131 CarbonylContact C-O 3.59Å; C127-K131 WeakPolarHBondContact CA-O 3.03Å; C128-K131 PolarHBondContact N-O 3.22Å; C128-K131 WeakPolarHBondContact O-CB 3.42Å; C128-K131 PolarHBondContact O-N 2.8Å; S129-K131 VanDerWaalsContact C-N 3.3Å; S129-K131 PolarHBondContact O-N 3.29Å; K131-H133 PolarHBondContact O-CD2 3.23Å; K131-H133 VanDerWaalsContact O-CD2 3.27Å |
| 132 | V | 94.7 | Very high | 93.4 | Very high | 36 Ų | 36 | 44.8 Ų | 44.8 | 22% | 0.218 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 130.4 | 174.3 | -177.1 | 0 | 0 | 0 | 0 | 109.3 | C116 K119 Q125 | C116-V132 HydrophobicContact CB-CG2 3.5Å; C116-V132 VanDerWaalsContact CB-CG2 3.5Å; K119-V132 HydrophobicContact CB-CG2 4.29Å; Q125-V132 HydrophobicContact CB-CG1 3.87Å; Q125-V132 HydrophobicContact CG-CG1 4.33Å |
| 133 | H | 95.7 | Very high | 93.3 | Very high | 36 Ų | 36 | 51.2 Ų | 51.2 | 17% | 0.167 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 135.9 | 175.8 | -62.2 | -95.7 | 0 | 0 | 0 | 109.8 | Q125 T126 K131 L138 E143 A145 | Q125-H133 CarbonylContact C-O 3.57Å; Q125-H133 VanDerWaalsContact CA-O 3.24Å; Q125-H133 WeakPolarHBondContact CA-O 3.24Å; Q125-H133 WeakPolarHBondContact CB-O 3.43Å; T126-H133 PolarHBondContact N-O 3.09Å; T126-H133 PolarHBondContact O-N 2.04Å; K131-H133 PolarHBondContact O-CD2 3.23Å; K131-H133 VanDerWaalsContact O-CD2 3.27Å; H133-L138 HydrophobicContact CB-CD1 4.28Å; H133-E143 PolarHBondContact CE1-O 2.84Å; H133-E143 PolarHBondContact NE2-O 3.11Å; H133-A145 HydrophobicContact CB-CB 3.48Å; H133-A145 VanDerWaalsContact CB-CB 3.48Å; H133-A145 VanDerWaalsContact CG-CB 3.41Å |
| 134 | D | 94.6 | Very high | 93.3 | Very high | 105 Ų | 105 | 49.8 Ų | 49.8 | 56% | 0.561 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 132.5 | 177 | -69.8 | -51 | 0 | 0 | 0 | 111 | R110 Q125 L138 | R110-D134 IonicContact NH2-OD1 3.82Å; Q125-D134 PolarHBondContact NE2-OD1 2.76Å; D134-L138 WeakPolarHBondContact O-CD1 3.37Å |
| 135 | G | 91.2 | Very high | 93.4 | Very high | 25 Ų | 25 | 48.6 Ų | 48.6 | 26% | 0.258 | 30% | 0.304 | S | S | . | . | trans | 144.6 | 137 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | D124 | D124-G135 CarbonylContact C-O 3.53Å; D124-G135 CarbonylContact O-C 3.51Å; D124-G135 WeakPolarHBondContact O-CA 3.26Å; D124-G135 PolarHBondContact O-N 2.74Å; D124-G135 VanDerWaalsContact O-O 3.07Å | ||
| 136 | V | 88.3 | Confident | 93.4 | Very high | 117 Ų | 117 | 49.3 Ų | 49.3 | 71% | 0.709 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | 135.6 | 175.5 | -178 | 0 | 0 | 0 | 0 | 109.2 | D124 L138 | D124-V136 HydrophobicContact CB-CG2 3.84Å; V136-L138 VanDerWaalsContact C-N 3.33Å; V136-L138 PolarHBondContact O-N 3.18Å |
| 137 | G | 85.4 | Confident | 93.2 | Very high | 42 Ų | 42 | 51.6 Ų | 51.6 | 43% | 0.433 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.9 | 21.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 138 | L | 94.4 | Very high | 92.8 | Very high | 38 Ų | 38 | 55.8 Ų | 55.8 | 20% | 0.199 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 152.4 | 172.7 | -53.1 | 178 | 0 | 0 | 0 | 110.9 | T126 H133 D134 V136 A145 Y146 D147 | T126-L138 HydrophobicContact CG2-CB 4.35Å; T126-L138 PolarHBondContact OG1-O 3.06Å; H133-L138 HydrophobicContact CB-CD1 4.28Å; D134-L138 WeakPolarHBondContact O-CD1 3.37Å; V136-L138 VanDerWaalsContact C-N 3.33Å; V136-L138 PolarHBondContact O-N 3.18Å; L138-A145 HydrophobicContact CB-CB 4.13Å; L138-A145 HydrophobicContact CD1-CB 3.83Å; L138-Y146 CarbonylContact C-O 3.08Å; L138-Y146 WeakPolarHBondContact CA-O 2.88Å; L138-D147 HydrophobicContact CD2-CB 4.31Å |
| 139 | A | 94 | Very high | 92.4 | Very high | 20 Ų | 20 | 63.2 Ų | 63.2 | 17% | 0.165 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 162.9 | 165.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | A145 Y146 L148 | A139-A145 CarbonylContact O-C 3.51Å; A139-A145 VanDerWaalsContact O-CA 3.28Å; A139-A145 WeakPolarHBondContact O-CA 3.45Å; A139-Y146 HydrophobicContact CB-CD1 4.46Å; A139-Y146 HydrophobicContact CB-CE1 3.91Å; A139-Y146 PolarHBondContact N-O 3.35Å; A139-Y146 WeakPolarHBondContact O-CD1 2.95Å; A139-Y146 PolarHBondContact O-N 2.88Å; A139-L148 HydrophobicContact CB-CD1 3.73Å; A139-L148 HydrophobicContact CB-CD2 3.31Å; A139-L148 HydrophobicContact CB-CG 3.33Å |
| 140 | C | 95.6 | Very high | 92.1 | Very high | 56 Ų | 56 | 61.3 Ų | 61.3 | 38% | 0.378 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 139 | 179.4 | -59.2 | 0 | 0 | 0 | 0 | 112.2 | C127 C128 S144 | C127-C140 PolarHBondContact O-SG 3.22Å; C128-C140 WeakPolarHBondContact CA-SG 3.43Å; C128-C140 HydrophobicContact CB-CB 3.66Å; C128-C140 WeakPolarHBondContact CB-SG 2.98Å; C128-C140 WeakPolarHBondContact SG-CA 3.39Å; C128-C140 WeakPolarHBondContact SG-CB 3.33Å; C128-C140 CovalentContact SG-SG 2.04Å; C128-C140 PolarHBondContact SG-SG 3.02Å; C140-S144 CarbonylContact C-O 3.56Å; C140-S144 WeakPolarHBondContact CA-O 3.3Å |
| 141 | C | 95.4 | Very high | 91.8 | Very high | 2 Ų | 2 | 70.6 Ų | 70.6 | 1% | 0.014 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 94.8 | 165.5 | -169.6 | 0 | 0 | 0 | 0 | 108.2 | E143 S144 Y146 C155 Q158 Q159 L160 | C141-E143 PolarHBondContact O-N 3.13Å; C141-S144 PolarHBondContact N-O 2.86Å; C141-S144 PolarHBondContact O-N 3.18Å; C141-S144 VanDerWaalsContact O-N 3.07Å; C141-Y146 HydrophobicContact CB-CD1 3.91Å; C141-Y146 HydrophobicContact CB-CE1 3.85Å; C141-C155 WeakPolarHBondContact CA-SG 3.22Å; C141-C155 HydrophobicContact CB-CB 3.59Å; C141-C155 WeakPolarHBondContact CB-SG 3.36Å; C141-C155 WeakPolarHBondContact SG-CA 3.29Å; C141-C155 WeakPolarHBondContact SG-CB 2.95Å; C141-C155 CovalentContact SG-SG 2.02Å; C141-C155 PolarHBondContact SG-SG 3Å; C141-Q158 CarbonylContact C-O 3.57Å; C141-Q159 PolarHBondContact SG-O 3.27Å; C141-Q159 VanDerWaalsContact SG-O 3.35Å; C141-L160 HydrophobicContact CB-CB 3.98Å; C141-L160 HydrophobicContact CB-CD1 4.08Å; C141-L160 PolarHBondContact SG-N 3.42Å; C141-L160 VanDerWaalsContact SG-N 3.37Å |
| 142 | G | 92 | Very high | 91.6 | Very high | 15 Ų | 15 | 70 Ų | 70 | 16% | 0.155 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | -126.6 | -164.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | S129 S144 | S129-G142 PolarHBondContact OG-O 3.22Å; G142-S144 VanDerWaalsContact C-N 3.32Å |
| 143 | E | 91.9 | Very high | 91.5 | Very high | 137 Ų | 137 | 72 Ų | 72 | 64% | 0.64 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -11.7 | 179.2 | -52 | -170.6 | 159.6 | 0 | 0 | 114.1 | H133 C141 | H133-E143 PolarHBondContact CE1-O 2.84Å; H133-E143 PolarHBondContact NE2-O 3.11Å; C141-E143 PolarHBondContact O-N 3.13Å |
| 144 | S | 93.8 | Very high | 91.3 | Very high | 57 Ų | 57 | 72 Ų | 72 | 40% | 0.399 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 138.2 | -175.7 | -63.9 | 0 | 0 | 0 | 0 | 111.4 | C140 C141 G142 | C140-S144 CarbonylContact C-O 3.56Å; C140-S144 WeakPolarHBondContact CA-O 3.3Å; C141-S144 PolarHBondContact N-O 2.86Å; C141-S144 PolarHBondContact O-N 3.18Å; C141-S144 VanDerWaalsContact O-N 3.07Å; G142-S144 VanDerWaalsContact C-N 3.32Å |
| 145 | A | 94.9 | Very high | 91.3 | Very high | 24 Ų | 24 | 68.8 Ų | 68.8 | 20% | 0.198 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 141.6 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | H133 L138 A139 | H133-A145 HydrophobicContact CB-CB 3.48Å; H133-A145 VanDerWaalsContact CB-CB 3.48Å; H133-A145 VanDerWaalsContact CG-CB 3.41Å; L138-A145 HydrophobicContact CB-CB 4.13Å; L138-A145 HydrophobicContact CD1-CB 3.83Å; A139-A145 CarbonylContact O-C 3.51Å; A139-A145 VanDerWaalsContact O-CA 3.28Å; A139-A145 WeakPolarHBondContact O-CA 3.45Å |
| 146 | Y | 94.8 | Very high | 91.5 | Very high | 40 Ų | 40 | 67.7 Ų | 67.7 | 16% | 0.157 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 153 | 176.9 | 75 | -76 | 0 | 0 | 0 | 111.2 | L138 A139 C141 L148 K153 C155 L160 | L138-Y146 CarbonylContact C-O 3.08Å; L138-Y146 WeakPolarHBondContact CA-O 2.88Å; A139-Y146 HydrophobicContact CB-CD1 4.46Å; A139-Y146 HydrophobicContact CB-CE1 3.91Å; A139-Y146 PolarHBondContact N-O 3.35Å; A139-Y146 WeakPolarHBondContact O-CD1 2.95Å; A139-Y146 PolarHBondContact O-N 2.88Å; C141-Y146 HydrophobicContact CB-CD1 3.91Å; C141-Y146 HydrophobicContact CB-CE1 3.85Å; Y146-L148 HydrophobicContact CE2-CD2 4.12Å; Y146-L148 PolarHBondContact O-N 3.22Å; Y146-K153 HydrophobicContact CD2-CB 3.92Å; Y146-C155 HydrophobicContact CE1-CB 4.08Å; Y146-L160 HydrophobicContact CD1-CD1 3.77Å; Y146-L160 HydrophobicContact CD2-CD1 4.02Å; Y146-L160 HydrophobicContact CE1-CD1 4.37Å; Y146-L160 HydrophobicContact CG-CD1 3.58Å; Y146-L160 HydrophobicContact CG-CD2 4.46Å |
| 147 | D | 92.2 | Very high | 91.7 | Very high | 72 Ų | 72 | 67.7 Ų | 67.7 | 39% | 0.385 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 118 | 175.1 | 179.1 | 2.3 | 0 | 0 | 0 | 110.1 | L138 H149 S150 | L138-D147 HydrophobicContact CD2-CB 4.31Å; D147-H149 PolarHBondContact O-N 2.02Å; D147-H149 WeakPolarHBondContact OD1-CB 3.4Å; D147-H149 IonicContact OD1-CD2 3.67Å; D147-H149 IonicContact OD1-CG 3.83Å; D147-H149 PolarHBondContact OD1-N 2.86Å; D147-S150 VanDerWaalsContact O-CB 3.3Å; D147-S150 WeakPolarHBondContact O-CB 3.02Å; D147-S150 PolarHBondContact O-N 2.97Å |
| 148 | L | 85.9 | Confident | 92 | Very high | 103 Ų | 103 | 72.2 Ų | 72.2 | 54% | 0.539 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -23.9 | 176.7 | -78.2 | 175.4 | 0 | 0 | 0 | 113.2 | A139 Y146 | A139-L148 HydrophobicContact CB-CD1 3.73Å; A139-L148 HydrophobicContact CB-CD2 3.31Å; A139-L148 HydrophobicContact CB-CG 3.33Å; Y146-L148 HydrophobicContact CE2-CD2 4.12Å; Y146-L148 PolarHBondContact O-N 3.22Å |
| 149 | H | 87.1 | Confident | 91.9 | Very high | 157 Ų | 157 | 75.3 Ų | 75.3 | 73% | 0.727 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -7.3 | 178.9 | -58.3 | -59.7 | 0 | 0 | 0 | 112.8 | D147 R151 | D147-H149 PolarHBondContact O-N 2.02Å; D147-H149 WeakPolarHBondContact OD1-CB 3.4Å; D147-H149 IonicContact OD1-CD2 3.67Å; D147-H149 IonicContact OD1-CG 3.83Å; D147-H149 PolarHBondContact OD1-N 2.86Å; H149-R151 PolarHBondContact O-N 2.82Å |
| 150 | S | 87.6 | Confident | 91.9 | Very high | 35 Ų | 35 | 76.8 Ų | 76.8 | 25% | 0.245 | 38% | 0.379 | C | S | . | . | trans | -72 | 110 | 176.1 | 165.9 | 0 | 0 | 0 | 0 | 111 | D147 K152 K153 | D147-S150 VanDerWaalsContact O-CB 3.3Å; D147-S150 WeakPolarHBondContact O-CB 3.02Å; D147-S150 PolarHBondContact O-N 2.97Å; S150-K152 PolarHBondContact O-N 2.03Å; S150-K152 VanDerWaalsContact O-N 3.11Å; S150-K152 PolarHBondContact OG-N 2.56Å; S150-K153 PolarHBondContact O-N 3.3Å; S150-K153 WeakPolarHBondContact OG-CG 3.39Å; S150-K153 PolarHBondContact OG-N 3.18Å | ||
| 151 | R | 84.4 | Confident | 91.8 | Very high | 239 Ų | 239 | 77.6 Ų | 77.6 | 90% | 0.902 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -11.7 | 172.9 | -53.6 | -172.6 | -154.5 | -176 | 5.8 | 114.1 | H149 | H149-R151 PolarHBondContact O-N 2.82Š|
| 152 | K | 89.5 | Confident | 91.7 | Very high | 115 Ų | 115 | 81.4 Ų | 81.4 | 50% | 0.5 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 0.1 | 179.9 | -65 | -158.9 | 177.6 | -142.1 | 0 | 113.5 | S150 T162 V163 D165 | S150-K152 PolarHBondContact O-N 2.03Å; S150-K152 VanDerWaalsContact O-N 3.11Å; S150-K152 PolarHBondContact OG-N 2.56Å; K152-T162 CarbonylContact O-C 3.59Å; K152-T162 VanDerWaalsContact O-CA 3.29Å; K152-T162 WeakPolarHBondContact O-CA 3.2Å; K152-V163 PolarHBondContact O-N 3.34Å; K152-D165 IonicContact NZ-OD1 3.78Å; K152-D165 PolarHBondContact NZ-OD1 2.85Å |
| 153 | K | 92.8 | Very high | 91.6 | Very high | 77 Ų | 77 | 81.6 Ų | 81.6 | 34% | 0.335 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 139.4 | -177 | -64.4 | -65.1 | -178.3 | 178.8 | 0 | 109.5 | Y146 S150 L160 Y161 T162 | Y146-K153 HydrophobicContact CD2-CB 3.92Å; S150-K153 PolarHBondContact O-N 3.3Å; S150-K153 WeakPolarHBondContact OG-CG 3.39Å; S150-K153 PolarHBondContact OG-N 3.18Å; K153-L160 HydrophobicContact CB-CD1 4.32Å; K153-Y161 WeakPolarHBondContact CA-O 3.48Å; K153-T162 PolarHBondContact NZ-OG1 3.34Å |
| 154 | I | 92.3 | Very high | 91.5 | Very high | 37 Ų | 37 | 77.3 Ų | 77.3 | 19% | 0.19 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 141.5 | 176.6 | -175 | 170.6 | 0 | 0 | 0 | 108.7 | Y161 V163 T170 L177 | I154-Y161 PolarHBondContact N-O 2.84Å; I154-Y161 PolarHBondContact O-N 3.2Å; I154-V163 HydrophobicContact CB-CG2 4.31Å; I154-V163 HydrophobicContact CG2-CG2 3.8Å; I154-T170 HydrophobicContact CD1-CG2 4.22Å; I154-T170 HydrophobicContact CG2-CG2 4.25Å; I154-L177 HydrophobicContact CD1-CD2 4.48Å; I154-L177 HydrophobicContact CG2-CD1 4Å; I154-L177 HydrophobicContact CG2-CD2 3.47Å; I154-L177 VanDerWaalsContact CG2-CD2 3.47Å; I154-L177 HydrophobicContact CG2-CG 4.38Å |
| 155 | C | 94.6 | Very high | 91.2 | Very high | 36 Ų | 36 | 81.2 Ų | 81.2 | 24% | 0.243 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 126.3 | 176.2 | -174.2 | 0 | 0 | 0 | 0 | 110.4 | C141 Y146 Q159 C172 | C141-C155 WeakPolarHBondContact CA-SG 3.22Å; C141-C155 HydrophobicContact CB-CB 3.59Å; C141-C155 WeakPolarHBondContact CB-SG 3.36Å; C141-C155 WeakPolarHBondContact SG-CA 3.29Å; C141-C155 WeakPolarHBondContact SG-CB 2.95Å; C141-C155 CovalentContact SG-SG 2.02Å; C141-C155 PolarHBondContact SG-SG 3Å; Y146-C155 HydrophobicContact CE1-CB 4.08Å; C155-Q159 WeakPolarHBondContact CA-O 3.39Å; C155-C172 PolarHBondContact O-SG 3.43Å; C155-C172 VanDerWaalsContact O-SG 3.34Å |
| 156 | C | 94.3 | Very high | 90.7 | Very high | 2 Ų | 2 | 85.7 Ų | 85.7 | 1% | 0.014 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 115.2 | 176.3 | -57.4 | 0 | 0 | 0 | 0 | 109.5 | Q158 Q159 Y161 C172 G174 L177 | C156-Q158 VanDerWaalsContact C-N 3.29Å; C156-Q158 PolarHBondContact O-N 3.46Å; C156-Q159 PolarHBondContact N-O 2.89Å; C156-Q159 WeakPolarHBondContact O-CA 3.42Å; C156-Q159 WeakPolarHBondContact O-CB 3.5Å; C156-Q159 PolarHBondContact O-N 3.03Å; C156-Y161 HydrophobicContact CB-CD2 4.19Å; C156-Y161 HydrophobicContact CB-CE2 4.07Å; C156-C172 WeakPolarHBondContact CA-SG 3.03Å; C156-C172 HydrophobicContact CB-CB 3.62Å; C156-C172 WeakPolarHBondContact CB-SG 3.5Å; C156-C172 VanDerWaalsContact SG-CA 3.58Å; C156-C172 WeakPolarHBondContact SG-CB 3.43Å; C156-C172 CovalentContact SG-SG 2.03Å; C156-C172 PolarHBondContact SG-SG 3.08Å; C156-G174 WeakPolarHBondContact CB-O 3.42Å; C156-L177 WeakPolarHBondContact SG-CD2 3.38Å |
| 157 | E | 92.2 | Very high | 90.1 | Very high | 118 Ų | 118 | 86.2 Ų | 86.2 | 55% | 0.551 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44.5 | 51.3 | -177 | -68.1 | -174.5 | 168.1 | 0 | 0 | 113.4 | Q159 G174 N175 | E157-Q159 PolarHBondContact O-N 3.29Å; E157-G174 VanDerWaalsContact OE1-CA 3.29Å; E157-G174 WeakPolarHBondContact OE1-CA 3.18Å; E157-N175 HydrophobicContact CB-CB 4.03Å; E157-N175 PolarHBondContact OE2-N 3Å |
| 158 | Q | 92.5 | Very high | 89.4 | Confident | 137 Ų | 137 | 87.6 Ų | 87.6 | 64% | 0.64 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.3 | 5.4 | -179.3 | -50.6 | 172.1 | 84.8 | 0 | 0 | 115.2 | C141 C156 | C141-Q158 CarbonylContact C-O 3.57Å; C156-Q158 VanDerWaalsContact C-N 3.29Å; C156-Q158 PolarHBondContact O-N 3.46Å |
| 159 | Q | 92.6 | Very high | 89.1 | Confident | 102 Ų | 102 | 85.6 Ų | 85.6 | 48% | 0.477 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 122.1 | 171.4 | -62.1 | -61.1 | -42.7 | 0 | 0 | 110.7 | C141 C155 C156 E157 Y161 N175 | C141-Q159 PolarHBondContact SG-O 3.27Å; C141-Q159 VanDerWaalsContact SG-O 3.35Å; C155-Q159 WeakPolarHBondContact CA-O 3.39Å; C156-Q159 PolarHBondContact N-O 2.89Å; C156-Q159 WeakPolarHBondContact O-CA 3.42Å; C156-Q159 WeakPolarHBondContact O-CB 3.5Å; C156-Q159 PolarHBondContact O-N 3.03Å; E157-Q159 PolarHBondContact O-N 3.29Å; Q159-Y161 HydrophobicContact CB-CD2 4.35Å; Q159-Y161 HydrophobicContact CB-CE2 3.6Å; Q159-Y161 WeakPolarHBondContact O-CD2 3.48Å; Q159-N175 HydrophobicContact CG-CB 4.42Å |
| 160 | L | 94.2 | Very high | 89.1 | Confident | 51 Ų | 51 | 79.5 Ų | 79.5 | 27% | 0.267 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 120.2 | -179.6 | -176 | 66.2 | 0 | 0 | 0 | 110.1 | C141 Y146 K153 | C141-L160 HydrophobicContact CB-CB 3.98Å; C141-L160 HydrophobicContact CB-CD1 4.08Å; C141-L160 PolarHBondContact SG-N 3.42Å; C141-L160 VanDerWaalsContact SG-N 3.37Å; Y146-L160 HydrophobicContact CD1-CD1 3.77Å; Y146-L160 HydrophobicContact CD2-CD1 4.02Å; Y146-L160 HydrophobicContact CE1-CD1 4.37Å; Y146-L160 HydrophobicContact CG-CD1 3.58Å; Y146-L160 HydrophobicContact CG-CD2 4.46Å; K153-L160 HydrophobicContact CB-CD1 4.32Å |
| 161 | Y | 93.6 | Very high | 89.3 | Confident | 74 Ų | 74 | 79 Ų | 79 | 29% | 0.29 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 151.8 | 178.5 | -68.6 | -80.9 | 0 | 0 | 0 | 112.4 | K153 I154 C156 Q159 N175 L177 | K153-Y161 WeakPolarHBondContact CA-O 3.48Å; I154-Y161 PolarHBondContact N-O 2.84Å; I154-Y161 PolarHBondContact O-N 3.2Å; C156-Y161 HydrophobicContact CB-CD2 4.19Å; C156-Y161 HydrophobicContact CB-CE2 4.07Å; Q159-Y161 HydrophobicContact CB-CD2 4.35Å; Q159-Y161 HydrophobicContact CB-CE2 3.6Å; Q159-Y161 WeakPolarHBondContact O-CD2 3.48Å; Y161-N175 WeakPolarHBondContact CE2-O 3.33Å; Y161-N175 PolarHBondContact OH-O 3.46Å; Y161-L177 HydrophobicContact CD1-CD1 4.12Å; Y161-L177 HydrophobicContact CD1-CG 4.14Å; Y161-L177 HydrophobicContact CD2-CD1 4.33Å; Y161-L177 HydrophobicContact CD2-CD2 3.93Å; Y161-L177 HydrophobicContact CD2-CG 3.84Å; Y161-L177 HydrophobicContact CE2-CG 4.47Å; Y161-L177 HydrophobicContact CG-CD1 3.68Å; Y161-L177 HydrophobicContact CG-CD2 4.13Å; Y161-L177 HydrophobicContact CG-CG 3.65Å |
| 162 | T | 93.3 | Very high | 89.7 | Confident | 82 Ų | 82 | 70.1 Ų | 70.1 | 50% | 0.503 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 123.4 | 161.7 | -50.2 | 0 | 0 | 0 | 0 | 107.8 | K152 K153 P164 | K152-T162 CarbonylContact O-C 3.59Å; K152-T162 VanDerWaalsContact O-CA 3.29Å; K152-T162 WeakPolarHBondContact O-CA 3.2Å; K153-T162 PolarHBondContact NZ-OG1 3.34Å; T162-P164 WeakPolarHBondContact O-CD 3.1Å |
| 163 | V | 90.1 | Very high | 89.9 | Confident | 19 Ų | 19 | 64.7 Ų | 64.7 | 12% | 0.115 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 123 | 176.8 | 175.6 | 0 | 0 | 0 | 0 | 109 | K152 I154 F167 T170 | K152-V163 PolarHBondContact O-N 3.34Å; I154-V163 HydrophobicContact CB-CG2 4.31Å; I154-V163 HydrophobicContact CG2-CG2 3.8Å; V163-F167 HydrophobicContact CG1-CB 4.06Å; V163-T170 WeakPolarHBondContact CG1-OG1 3.24Å; V163-T170 HydrophobicContact CG2-CG2 4.25Å |
| 164 | P | 88.2 | Confident | 89.8 | Confident | 46 Ų | 46 | 61.7 Ų | 61.7 | 30% | 0.299 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -60.6 | 142.8 | 174 | -24.2 | 35.6 | 0 | 0 | 0 | 111.8 | T162 N166 F167 | T162-P164 WeakPolarHBondContact O-CD 3.1Å; P164-N166 WeakPolarHBondContact CB-OD1 3.12Å; P164-N166 PolarHBondContact O-N 3.14Å; P164-N166 VanDerWaalsContact O-N 3.13Å; P164-F167 HydrophobicContact CB-CD1 3.79Å; P164-F167 HydrophobicContact CB-CE1 4.12Å; P164-F167 HydrophobicContact CB-CG 4.2Å; P164-F167 HydrophobicContact CG-CD1 3.96Å; P164-F167 HydrophobicContact CG-CD2 4.37Å; P164-F167 HydrophobicContact CG-CE1 3.95Å; P164-F167 HydrophobicContact CG-CE2 4.34Å; P164-F167 HydrophobicContact CG-CG 4.19Å; P164-F167 HydrophobicContact CG-CZ 4.14Å; P164-F167 WeakPolarHBondContact O-CB 3.41Å; P164-F167 PolarHBondContact O-N 3.09Å |
| 165 | D | 87.7 | Confident | 89.8 | Confident | 139 Ų | 139 | 63.4 Ų | 63.4 | 74% | 0.743 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -19.7 | -176.6 | -69.3 | -40.3 | 0 | 0 | 0 | 113.2 | K152 | K152-D165 IonicContact NZ-OD1 3.78Å; K152-D165 PolarHBondContact NZ-OD1 2.85Å |
| 166 | N | 84.6 | Confident | 89.6 | Confident | 119 Ų | 119 | 64.9 Ų | 64.9 | 64% | 0.636 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -6.6 | 175.7 | 65.9 | -46.5 | 0 | 0 | 0 | 113.8 | P164 | P164-N166 WeakPolarHBondContact CB-OD1 3.12Å; P164-N166 PolarHBondContact O-N 3.14Å; P164-N166 VanDerWaalsContact O-N 3.13Å |
| 167 | F | 83.2 | Confident | 89.5 | Confident | 50 Ų | 50 | 66.4 Ų | 66.4 | 22% | 0.219 | 36% | 0.358 | C | S | . | . | trans | -84.1 | 120.6 | 178.8 | -79.1 | 29.8 | 0 | 0 | 0 | 109.4 | V163 P164 T170 L177 N179 | V163-F167 HydrophobicContact CG1-CB 4.06Å; P164-F167 HydrophobicContact CB-CD1 3.79Å; P164-F167 HydrophobicContact CB-CE1 4.12Å; P164-F167 HydrophobicContact CB-CG 4.2Å; P164-F167 HydrophobicContact CG-CD1 3.96Å; P164-F167 HydrophobicContact CG-CD2 4.37Å; P164-F167 HydrophobicContact CG-CE1 3.95Å; P164-F167 HydrophobicContact CG-CE2 4.34Å; P164-F167 HydrophobicContact CG-CG 4.19Å; P164-F167 HydrophobicContact CG-CZ 4.14Å; P164-F167 WeakPolarHBondContact O-CB 3.41Å; P164-F167 PolarHBondContact O-N 3.09Å; F167-T170 WeakPolarHBondContact CB-OG1 3.46Å; F167-T170 HydrophobicContact CD2-CG2 4Å; F167-T170 WeakPolarHBondContact CD2-OG1 3.33Å; F167-L177 HydrophobicContact CE2-CB 4.32Å; F167-N179 HydrophobicContact CD1-CB 4.33Å; F167-N179 HydrophobicContact CD2-CB 4.23Å; F167-N179 HydrophobicContact CE1-CB 4.41Å; F167-N179 HydrophobicContact CE2-CB 4.32Å; F167-N179 HydrophobicContact CG-CB 4.24Å; F167-N179 HydrophobicContact CZ-CB 4.4Å | ||
| 168 | V | 77.1 | Confident | 89.5 | Confident | 102 Ų | 102 | 62.5 Ų | 62.5 | 62% | 0.618 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -81.5 | -45.6 | 179.2 | -178.2 | 0 | 0 | 0 | 0 | 110.5 | W181 | V168-W181 HydrophobicContact CB-CB 3.93Å; V168-W181 HydrophobicContact CB-CG 3.92Å; V168-W181 HydrophobicContact CG1-CB 4.23Å; V168-W181 HydrophobicContact CG1-CD2 4.23Å; V168-W181 HydrophobicContact CG1-CG 3.74Å |
| 169 | T | 80.3 | Confident | 89.3 | Confident | 60 Ų | 60 | 56.6 Ų | 56.6 | 37% | 0.368 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -133.8 | 117.1 | 172.5 | -54.2 | 0 | 0 | 0 | 0 | 108.5 | N179 A180 | T169-N179 CarbonylContact O-C 3.54Å; T169-N179 PolarHBondContact O-OD1 2.81Å; T169-A180 PolarHBondContact O-N 2.84Å |
| 170 | T | 85.9 | Confident | 89 | Confident | 30 Ų | 30 | 53.6 Ų | 53.6 | 18% | 0.184 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 136.1 | -179.8 | -54.8 | 0 | 0 | 0 | 0 | 110.2 | I154 V163 F167 L177 | I154-T170 HydrophobicContact CD1-CG2 4.22Å; I154-T170 HydrophobicContact CG2-CG2 4.25Å; V163-T170 WeakPolarHBondContact CG1-OG1 3.24Å; V163-T170 HydrophobicContact CG2-CG2 4.25Å; F167-T170 WeakPolarHBondContact CB-OG1 3.46Å; F167-T170 HydrophobicContact CD2-CG2 4Å; F167-T170 WeakPolarHBondContact CD2-OG1 3.33Å; T170-L177 HydrophobicContact CG2-CB 4.26Å; T170-L177 HydrophobicContact CG2-CD1 4.04Å; T170-L177 HydrophobicContact CG2-CD2 3.8Å; T170-L177 HydrophobicContact CG2-CG 4.27Å |
| 171 | A | 91.3 | Very high | 88.4 | Confident | 25 Ų | 25 | 59.5 Ų | 59.5 | 21% | 0.207 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 158.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111 | Y178 A180 | A171-Y178 HydrophobicContact CB-CD1 4.25Å; A171-Y178 HydrophobicContact CB-CE1 3.58Å; A171-Y178 PolarHBondContact N-O 2.63Å; A171-Y178 VanDerWaalsContact N-O 3.14Å; A171-Y178 WeakPolarHBondContact O-CD1 3.05Å; A171-Y178 PolarHBondContact O-N 2.95Å; A171-Y178 VanDerWaalsContact O-N 3.09Å; A171-A180 HydrophobicContact CB-CB 3.9Å |
| 172 | C | 94.1 | Very high | 88 | Confident | 51 Ų | 51 | 60.2 Ų | 60.2 | 35% | 0.345 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 141.3 | 173.2 | -58.3 | 0 | 0 | 0 | 0 | 110.6 | C155 C156 M176 | C155-C172 PolarHBondContact O-SG 3.43Å; C155-C172 VanDerWaalsContact O-SG 3.34Å; C156-C172 WeakPolarHBondContact CA-SG 3.03Å; C156-C172 HydrophobicContact CB-CB 3.62Å; C156-C172 WeakPolarHBondContact CB-SG 3.5Å; C156-C172 VanDerWaalsContact SG-CA 3.58Å; C156-C172 WeakPolarHBondContact SG-CB 3.43Å; C156-C172 CovalentContact SG-SG 2.03Å; C156-C172 PolarHBondContact SG-SG 3.08Å; C172-M176 CarbonylContact C-O 3.58Å; C172-M176 WeakPolarHBondContact CA-O 3.33Å |
| 173 | C | 94.1 | Very high | 87.6 | Confident | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.007 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 98.1 | 163.8 | -171 | 0 | 0 | 0 | 0 | 108.6 | N175 M176 Y178 C187 K191 V192 | C173-N175 PolarHBondContact O-N 2.94Å; C173-M176 PolarHBondContact N-O 3.46Å; C173-M176 PolarHBondContact O-N 3.17Å; C173-Y178 HydrophobicContact CB-CD1 3.87Å; C173-Y178 HydrophobicContact CB-CE1 4.02Å; C173-C187 WeakPolarHBondContact CA-SG 3.08Å; C173-C187 HydrophobicContact CB-CB 3.57Å; C173-C187 WeakPolarHBondContact CB-SG 3.29Å; C173-C187 WeakPolarHBondContact SG-CA 3.46Å; C173-C187 WeakPolarHBondContact SG-CB 3.36Å; C173-C187 CovalentContact SG-SG 2.03Å; C173-C187 PolarHBondContact SG-SG 3.19Å; C173-K191 PolarHBondContact SG-N 2.84Å; C173-K191 VanDerWaalsContact SG-N 3.43Å; C173-K191 PolarHBondContact SG-O 2.03Å; C173-V192 HydrophobicContact CB-CG2 3.64Å |
| 174 | G | 90.6 | Very high | 87.6 | Confident | 15 Ų | 15 | 59.5 Ų | 59.5 | 16% | 0.155 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54 | -126.3 | -161.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | C156 E157 M176 | C156-G174 WeakPolarHBondContact CB-O 3.42Å; E157-G174 VanDerWaalsContact OE1-CA 3.29Å; E157-G174 WeakPolarHBondContact OE1-CA 3.18Å; G174-M176 VanDerWaalsContact C-N 3.32Å; G174-M176 PolarHBondContact O-N 3.14Å |
| 175 | N | 91.4 | Very high | 87.9 | Confident | 73 Ų | 73 | 60.4 Ų | 60.4 | 39% | 0.39 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 9.7 | 176.6 | 71.8 | -13.1 | 0 | 0 | 0 | 114.6 | E157 Q159 Y161 C173 | E157-N175 HydrophobicContact CB-CB 4.03Å; E157-N175 PolarHBondContact OE2-N 3Å; Q159-N175 HydrophobicContact CG-CB 4.42Å; Y161-N175 WeakPolarHBondContact CE2-O 3.33Å; Y161-N175 PolarHBondContact OH-O 3.46Å; C173-N175 PolarHBondContact O-N 2.94Å |
| 176 | M | 91.1 | Very high | 88.1 | Confident | 67 Ų | 67 | 54.6 Ų | 54.6 | 33% | 0.33 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 157.6 | -179.3 | -65.6 | -175.8 | -74.2 | 0 | 0 | 113 | C172 C173 G174 S190 K191 V192 | C172-M176 CarbonylContact C-O 3.58Å; C172-M176 WeakPolarHBondContact CA-O 3.33Å; C173-M176 PolarHBondContact N-O 3.46Å; C173-M176 PolarHBondContact O-N 3.17Å; G174-M176 VanDerWaalsContact C-N 3.32Å; G174-M176 PolarHBondContact O-N 3.14Å; M176-S190 WeakPolarHBondContact CE-O 2.98Å; M176-K191 HydrophobicContact CE-CB 4.46Å; M176-K191 HydrophobicContact CE-CG 4.38Å; M176-V192 HydrophobicContact CB-CG2 4.31Å; M176-V192 HydrophobicContact CE-CG2 4.31Å |
| 177 | L | 91.9 | Very high | 88.6 | Confident | 33 Ų | 33 | 51 Ų | 51 | 17% | 0.173 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 146.5 | 168.1 | -62.3 | -171.6 | 0 | 0 | 0 | 111.7 | I154 C156 Y161 F167 T170 | I154-L177 HydrophobicContact CD1-CD2 4.48Å; I154-L177 HydrophobicContact CG2-CD1 4Å; I154-L177 HydrophobicContact CG2-CD2 3.47Å; I154-L177 VanDerWaalsContact CG2-CD2 3.47Å; I154-L177 HydrophobicContact CG2-CG 4.38Å; C156-L177 WeakPolarHBondContact SG-CD2 3.38Å; Y161-L177 HydrophobicContact CD1-CD1 4.12Å; Y161-L177 HydrophobicContact CD1-CG 4.14Å; Y161-L177 HydrophobicContact CD2-CD1 4.33Å; Y161-L177 HydrophobicContact CD2-CD2 3.93Å; Y161-L177 HydrophobicContact CD2-CG 3.84Å; Y161-L177 HydrophobicContact CE2-CG 4.47Å; Y161-L177 HydrophobicContact CG-CD1 3.68Å; Y161-L177 HydrophobicContact CG-CD2 4.13Å; Y161-L177 HydrophobicContact CG-CG 3.65Å; F167-L177 HydrophobicContact CE2-CB 4.32Å; T170-L177 HydrophobicContact CG2-CB 4.26Å; T170-L177 HydrophobicContact CG2-CD1 4.04Å; T170-L177 HydrophobicContact CG2-CD2 3.8Å; T170-L177 HydrophobicContact CG2-CG 4.27Å |
| 178 | Y | 91.3 | Very high | 89.2 | Confident | 36 Ų | 36 | 48.7 Ų | 48.7 | 14% | 0.141 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 158.5 | 166.7 | 75 | -75 | 0 | 0 | 0 | 111.8 | A171 C173 A180 E185 C187 V192 | A171-Y178 HydrophobicContact CB-CD1 4.25Å; A171-Y178 HydrophobicContact CB-CE1 3.58Å; A171-Y178 PolarHBondContact N-O 2.63Å; A171-Y178 VanDerWaalsContact N-O 3.14Å; A171-Y178 WeakPolarHBondContact O-CD1 3.05Å; A171-Y178 PolarHBondContact O-N 2.95Å; A171-Y178 VanDerWaalsContact O-N 3.09Å; C173-Y178 HydrophobicContact CB-CD1 3.87Å; C173-Y178 HydrophobicContact CB-CE1 4.02Å; Y178-A180 HydrophobicContact CD2-CB 4.35Å; Y178-A180 HydrophobicContact CE2-CB 3.73Å; Y178-A180 PolarHBondContact O-N 2.77Å; Y178-E185 HydrophobicContact CD2-CB 4.1Å; Y178-C187 HydrophobicContact CE1-CB 3.86Å; Y178-V192 HydrophobicContact CD1-CG2 4.25Å; Y178-V192 HydrophobicContact CG-CG1 4.18Å; Y178-V192 HydrophobicContact CG-CG2 4.2Å |
| 179 | N | 89 | Confident | 89.9 | Confident | 13 Ų | 13 | 45 Ų | 45 | 7% | 0.07 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 102.4 | 175.1 | -173.5 | 13.5 | 0 | 0 | 0 | 109 | F167 T169 W181 D182 E185 | F167-N179 HydrophobicContact CD1-CB 4.33Å; F167-N179 HydrophobicContact CD2-CB 4.23Å; F167-N179 HydrophobicContact CE1-CB 4.41Å; F167-N179 HydrophobicContact CE2-CB 4.32Å; F167-N179 HydrophobicContact CG-CB 4.24Å; F167-N179 HydrophobicContact CZ-CB 4.4Å; T169-N179 CarbonylContact O-C 3.54Å; T169-N179 PolarHBondContact O-OD1 2.81Å; N179-W181 VanDerWaalsContact C-N 3.29Å; N179-W181 PolarHBondContact O-N 3.37Å; N179-W181 PolarHBondContact OD1-N 2.99Å; N179-D182 PolarHBondContact ND2-OD2 3.07Å; N179-E185 PolarHBondContact N-OE2 3.48Å |
| 180 | A | 86.7 | Confident | 90.5 | Very high | 40 Ų | 40 | 43.8 Ų | 43.8 | 33% | 0.331 | 26% | 0.255 | S | S | . | . | trans | -79.2 | -11.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | T169 A171 Y178 | T169-A180 PolarHBondContact O-N 2.84Å; A171-A180 HydrophobicContact CB-CB 3.9Å; Y178-A180 HydrophobicContact CD2-CB 4.35Å; Y178-A180 HydrophobicContact CE2-CB 3.73Å; Y178-A180 PolarHBondContact O-N 2.77Å | ||
| 181 | W | 81.9 | Confident | 90.9 | Very high | 175 Ų | 175 | 48.5 Ų | 48.5 | 66% | 0.663 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -81.8 | -49.5 | -170.5 | -175.3 | -106.9 | 0 | 0 | 0 | 114.6 | V168 N179 G183 | V168-W181 HydrophobicContact CB-CB 3.93Å; V168-W181 HydrophobicContact CB-CG 3.92Å; V168-W181 HydrophobicContact CG1-CB 4.23Å; V168-W181 HydrophobicContact CG1-CD2 4.23Å; V168-W181 HydrophobicContact CG1-CG 3.74Å; N179-W181 VanDerWaalsContact C-N 3.29Å; N179-W181 PolarHBondContact O-N 3.37Å; N179-W181 PolarHBondContact OD1-N 2.99Å; W181-G183 PolarHBondContact O-N 3.27Å; W181-G183 VanDerWaalsContact O-N 3.14Å |
| 182 | D | 84.5 | Confident | 91 | Very high | 89 Ų | 89 | 49.2 Ų | 49.2 | 48% | 0.476 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -73.8 | -6.6 | -169.9 | 62.8 | 18.8 | 0 | 0 | 0 | 113.2 | N179 S184 | N179-D182 PolarHBondContact ND2-OD2 3.07Å; D182-S184 PolarHBondContact O-N 2.99Å; D182-S184 VanDerWaalsContact OD1-CB 3.23Å; D182-S184 WeakPolarHBondContact OD1-CB 3.23Å; D182-S184 PolarHBondContact OD1-N 2.87Å; D182-S184 PolarHBondContact OD1-OG 3.39Å; D182-S184 PolarHBondContact OD2-OG 2.92Å |
| 183 | G | 84.4 | Confident | 91.1 | Very high | 32 Ų | 32 | 48.9 Ų | 48.9 | 33% | 0.33 | 27% | 0.266 | S | S | . | . | S | Bend | trans | 67.6 | 7.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | W181 E185 R195 | W181-G183 PolarHBondContact O-N 3.27Å; W181-G183 VanDerWaalsContact O-N 3.14Å; G183-E185 VanDerWaalsContact C-N 3.26Å; G183-E185 PolarHBondContact O-N 2.88Å; G183-R195 WeakPolarHBondContact O-CD 3.45Å; G183-R195 WeakPolarHBondContact O-CG 3.41Å; G183-R195 PolarHBondContact O-NE 2.9Å; G183-R195 VanDerWaalsContact O-NE 3.13Å |
| 184 | S | 90.9 | Very high | 91.2 | Very high | 53 Ų | 53 | 50.9 Ų | 50.9 | 37% | 0.371 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -73.7 | -22.1 | 178 | 70.1 | 0 | 0 | 0 | 0 | 112.4 | D182 S194 R195 | D182-S184 PolarHBondContact O-N 2.99Å; D182-S184 VanDerWaalsContact OD1-CB 3.23Å; D182-S184 WeakPolarHBondContact OD1-CB 3.23Å; D182-S184 PolarHBondContact OD1-N 2.87Å; D182-S184 PolarHBondContact OD1-OG 3.39Å; D182-S184 PolarHBondContact OD2-OG 2.92Å; S184-S194 CarbonylContact O-C 3.44Å; S184-S194 WeakPolarHBondContact O-CA 3.47Å; S184-R195 WeakPolarHBondContact O-CB 3.47Å; S184-R195 PolarHBondContact O-N 3.26Å |
| 185 | E | 93.3 | Very high | 91.3 | Very high | 66 Ų | 66 | 55.8 Ų | 55.8 | 31% | 0.308 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 159.2 | -178.6 | -65.4 | 178.3 | 151.2 | 0 | 0 | 111.6 | Y178 N179 G183 V192 Y193 | Y178-E185 HydrophobicContact CD2-CB 4.1Å; N179-E185 PolarHBondContact N-OE2 3.48Å; G183-E185 VanDerWaalsContact C-N 3.26Å; G183-E185 PolarHBondContact O-N 2.88Å; E185-V192 HydrophobicContact CB-CG1 3.96Å; E185-V192 HydrophobicContact CG-CG1 4.23Å; E185-Y193 CarbonylContact C-O 3.52Å; E185-Y193 VanDerWaalsContact CA-O 3.24Å; E185-Y193 WeakPolarHBondContact CA-O 3.42Å |
| 186 | F | 93.6 | Very high | 91.4 | Very high | 17 Ų | 17 | 60.4 Ų | 60.4 | 8% | 0.075 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 155.7 | 169.7 | 72.9 | -71.5 | 0 | 0 | 0 | 111 | C188 Y193 R195 S198 C201 | F186-C188 HydrophobicContact CD2-CB 4.3Å; F186-C188 HydrophobicContact CE2-CB 3.82Å; F186-Y193 WeakPolarHBondContact CD1-O 3.37Å; F186-Y193 HydrophobicContact CE1-CG 4.33Å; F186-Y193 HydrophobicContact CZ-CG 4.22Å; F186-Y193 PolarHBondContact N-O 3.19Å; F186-Y193 PolarHBondContact O-N 3.4Å; F186-R195 HydrophobicContact CD1-CG 3.91Å; F186-S198 WeakPolarHBondContact CE1-O 3.38Å; F186-C201 HydrophobicContact CE2-CB 4.21Å |
| 187 | C | 95 | Very high | 91.6 | Very high | 42 Ų | 42 | 64.4 Ų | 64.4 | 28% | 0.284 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 134.6 | 173.3 | -175.7 | 0 | 0 | 0 | 0 | 110.9 | C173 Y178 G189 | C173-C187 WeakPolarHBondContact CA-SG 3.08Å; C173-C187 HydrophobicContact CB-CB 3.57Å; C173-C187 WeakPolarHBondContact CB-SG 3.29Å; C173-C187 WeakPolarHBondContact SG-CA 3.46Å; C173-C187 WeakPolarHBondContact SG-CB 3.36Å; C173-C187 CovalentContact SG-SG 2.03Å; C173-C187 PolarHBondContact SG-SG 3.19Å; Y178-C187 HydrophobicContact CE1-CB 3.86Å; C187-G189 PolarHBondContact SG-O 3.4Å |
| 188 | C | 95.3 | Very high | 91.9 | Very high | 2 Ų | 2 | 63.5 Ų | 63.5 | 1% | 0.014 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 118.3 | 170.3 | 178.8 | 0 | 0 | 0 | 0 | 109.1 | F186 S190 K191 Y193 C201 K215 G216 | F186-C188 HydrophobicContact CD2-CB 4.3Å; F186-C188 HydrophobicContact CE2-CB 3.82Å; C188-S190 PolarHBondContact O-N 3.28Å; C188-K191 PolarHBondContact N-O 3.14Å; C188-K191 PolarHBondContact O-N 3.15Å; C188-K191 VanDerWaalsContact O-N 3.08Å; C188-K191 VanDerWaalsContact O-O 3.11Å; C188-Y193 HydrophobicContact CB-CD2 3.76Å; C188-Y193 HydrophobicContact CB-CE2 3.81Å; C188-C201 WeakPolarHBondContact CA-SG 3.24Å; C188-C201 HydrophobicContact CB-CB 3.69Å; C188-C201 WeakPolarHBondContact CB-SG 3.01Å; C188-C201 WeakPolarHBondContact SG-CA 3.43Å; C188-C201 WeakPolarHBondContact SG-CB 3.41Å; C188-C201 CovalentContact SG-SG 2.03Å; C188-C201 PolarHBondContact SG-SG 3.37Å; C188-K215 PolarHBondContact SG-N 3.4Å; C188-G216 PolarHBondContact SG-N 3.25Å; C188-G216 VanDerWaalsContact SG-N 3.37Å |
| 189 | G | 92.4 | Very high | 92.1 | Very high | 25 Ų | 25 | 64.7 Ų | 64.7 | 26% | 0.258 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | -129.2 | -166.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | C187 R211 Q212 | C187-G189 PolarHBondContact SG-O 3.4Å; G189-R211 VanDerWaalsContact CA-O 3.28Å; G189-R211 WeakPolarHBondContact CA-O 3.08Å; G189-Q212 WeakPolarHBondContact CA-O 3.36Å |
| 190 | S | 92 | Very high | 92.4 | Very high | 34 Ų | 34 | 65.1 Ų | 65.1 | 24% | 0.238 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | 26 | 174.1 | -53.9 | 0 | 0 | 0 | 0 | 112.7 | M176 C188 Q212 | M176-S190 WeakPolarHBondContact CE-O 2.98Å; C188-S190 PolarHBondContact O-N 3.28Å; S190-Q212 PolarHBondContact N-O 3.36Å |
| 191 | K | 93.9 | Very high | 92.9 | Very high | 130 Ų | 130 | 65.5 Ų | 65.5 | 57% | 0.565 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 141.1 | -178.2 | -70.8 | -176.9 | -177.1 | 176.6 | 0 | 113.6 | C173 M176 C188 Y193 | C173-K191 PolarHBondContact SG-N 2.84Å; C173-K191 VanDerWaalsContact SG-N 3.43Å; C173-K191 PolarHBondContact SG-O 2.03Å; M176-K191 HydrophobicContact CE-CB 4.46Å; M176-K191 HydrophobicContact CE-CG 4.38Å; C188-K191 PolarHBondContact N-O 3.14Å; C188-K191 PolarHBondContact O-N 3.15Å; C188-K191 VanDerWaalsContact O-N 3.08Å; C188-K191 VanDerWaalsContact O-O 3.11Å; K191-Y193 HydrophobicContact CB-CD2 4.29Å; K191-Y193 HydrophobicContact CB-CE2 3.58Å; K191-Y193 WeakPolarHBondContact O-CD2 3.05Å |
| 192 | V | 94.6 | Very high | 93.5 | Very high | 40 Ų | 40 | 57.4 Ų | 57.4 | 24% | 0.242 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 132.7 | 174.6 | -176.2 | 0 | 0 | 0 | 0 | 109 | C173 M176 Y178 E185 | C173-V192 HydrophobicContact CB-CG2 3.64Å; M176-V192 HydrophobicContact CB-CG2 4.31Å; M176-V192 HydrophobicContact CE-CG2 4.31Å; Y178-V192 HydrophobicContact CD1-CG2 4.25Å; Y178-V192 HydrophobicContact CG-CG1 4.18Å; Y178-V192 HydrophobicContact CG-CG2 4.2Å; E185-V192 HydrophobicContact CB-CG1 3.96Å; E185-V192 HydrophobicContact CG-CG1 4.23Å |
| 193 | Y | 95.5 | Very high | 93.8 | Very high | 43 Ų | 43 | 55.8 Ų | 55.8 | 17% | 0.169 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 140.1 | 179 | -71.9 | -94.9 | 0 | 0 | 0 | 110.4 | E185 F186 C188 K191 G216 | E185-Y193 CarbonylContact C-O 3.52Å; E185-Y193 VanDerWaalsContact CA-O 3.24Å; E185-Y193 WeakPolarHBondContact CA-O 3.42Å; F186-Y193 WeakPolarHBondContact CD1-O 3.37Å; F186-Y193 HydrophobicContact CE1-CG 4.33Å; F186-Y193 HydrophobicContact CZ-CG 4.22Å; F186-Y193 PolarHBondContact N-O 3.19Å; F186-Y193 PolarHBondContact O-N 3.4Å; C188-Y193 HydrophobicContact CB-CD2 3.76Å; C188-Y193 HydrophobicContact CB-CE2 3.81Å; K191-Y193 HydrophobicContact CB-CD2 4.29Å; K191-Y193 HydrophobicContact CB-CE2 3.58Å; K191-Y193 WeakPolarHBondContact O-CD2 3.05Å; Y193-G216 PolarHBondContact OH-N 2.98Å |
| 194 | S | 95.2 | Very high | 93.7 | Very high | 43 Ų | 43 | 55.1 Ų | 55.1 | 30% | 0.301 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 131.6 | 168.7 | 171.8 | 0 | 0 | 0 | 0 | 110.3 | S184 E196 K197 S198 | S184-S194 CarbonylContact O-C 3.44Å; S184-S194 WeakPolarHBondContact O-CA 3.47Å; S194-E196 PolarHBondContact O-N 3.24Å; S194-E196 PolarHBondContact OG-N 3.1Å; S194-K197 PolarHBondContact O-N 3.13Å; S194-K197 VanDerWaalsContact O-N 3.07Å; S194-S198 PolarHBondContact O-N 3.47Å |
| 195 | R | 93.5 | Very high | 92.7 | Very high | 119 Ų | 119 | 59.2 Ų | 59.2 | 45% | 0.449 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -25.3 | 176.7 | -72.4 | -143.4 | -170.4 | -111.7 | -1.1 | 114.2 | G183 S184 F186 K197 S198 | G183-R195 WeakPolarHBondContact O-CD 3.45Å; G183-R195 WeakPolarHBondContact O-CG 3.41Å; G183-R195 PolarHBondContact O-NE 2.9Å; G183-R195 VanDerWaalsContact O-NE 3.13Å; S184-R195 WeakPolarHBondContact O-CB 3.47Å; S184-R195 PolarHBondContact O-N 3.26Å; F186-R195 HydrophobicContact CD1-CG 3.91Å; R195-K197 VanDerWaalsContact C-N 3.27Å; R195-K197 PolarHBondContact O-N 3.13Å; R195-S198 CarbonylContact C-O 3.55Å; R195-S198 WeakPolarHBondContact CA-O 3.21Å |
| 196 | E | 93.2 | Very high | 91.6 | Very high | 169 Ų | 169 | 58.4 Ų | 58.4 | 79% | 0.79 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -36.9 | 174.5 | -170.4 | -166.9 | 157.1 | 0 | 0 | 111.3 | S194 | S194-E196 PolarHBondContact O-N 3.24Å; S194-E196 PolarHBondContact OG-N 3.1Å |
| 197 | K | 95.8 | Very high | 90.5 | Very high | 152 Ų | 152 | 64.6 Ų | 64.6 | 66% | 0.661 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | -38.8 | -175.1 | -65.6 | -178.6 | -177.9 | 174.6 | 0 | 112.4 | S194 R195 N218 | S194-K197 PolarHBondContact O-N 3.13Å; S194-K197 VanDerWaalsContact O-N 3.07Å; R195-K197 VanDerWaalsContact C-N 3.27Å; R195-K197 PolarHBondContact O-N 3.13Å; K197-N218 WeakPolarHBondContact O-CB 3.28Å; K197-N218 PolarHBondContact O-ND2 3.34Å |
| 198 | S | 96.8 | Very high | 89.5 | Confident | 13 Ų | 13 | 69.9 Ų | 69.9 | 9% | 0.091 | 35% | 0.348 | C | S | . | . | trans | -137.6 | 137.9 | -176.6 | -58.3 | 0 | 0 | 0 | 0 | 108.8 | F186 S194 R195 Y217 | F186-S198 WeakPolarHBondContact CE1-O 3.38Å; S194-S198 PolarHBondContact O-N 3.47Å; R195-S198 CarbonylContact C-O 3.55Å; R195-S198 WeakPolarHBondContact CA-O 3.21Å; S198-Y217 CarbonylContact C-O 3.59Å; S198-Y217 WeakPolarHBondContact CA-O 3.26Å | ||
| 199 | N | 95.6 | Very high | 88.6 | Confident | 61 Ų | 61 | 77.6 Ų | 77.6 | 33% | 0.326 | 38% | 0.383 | S | S | . | . | trans | -125.8 | -2 | -175.3 | 60.7 | -2.2 | 0 | 0 | 0 | 113.3 | Y217 T219 | N199-Y217 PolarHBondContact N-O 3.31Å; N199-Y217 PolarHBondContact OD1-O 2.81Å; N199-T219 PolarHBondContact ND2-OG1 2.89Å; N199-T219 WeakPolarHBondContact OD1-CG2 3.29Å; N199-T219 PolarHBondContact OD1-N 2.85Å; N199-T219 PolarHBondContact OD1-OG1 3.22Å; N199-T219 VanDerWaalsContact OD1-OG1 3.1Å | ||
| 200 | A | 96.4 | Very high | 88 | Confident | 22 Ų | 22 | 79.7 Ų | 79.7 | 18% | 0.182 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 161.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | G216 Y217 T219 | A200-G216 CarbonylContact O-C 3.55Å; A200-G216 VanDerWaalsContact O-CA 3.31Å; A200-G216 WeakPolarHBondContact O-CA 3.33Å; A200-Y217 HydrophobicContact CB-CD1 3.99Å; A200-Y217 HydrophobicContact CB-CE1 3.38Å; A200-Y217 HydrophobicContact CB-CE2 4.35Å; A200-Y217 PolarHBondContact N-O 3.27Å; A200-Y217 VanDerWaalsContact N-O 3.13Å; A200-Y217 WeakPolarHBondContact O-CD1 3.49Å; A200-Y217 PolarHBondContact O-N 2.03Å; A200-T219 HydrophobicContact CB-CG2 3.45Å; A200-T219 VanDerWaalsContact CB-CG2 3.45Å |
| 201 | C | 96.4 | Very high | 87.5 | Confident | 48 Ų | 48 | 85.3 Ų | 85.3 | 32% | 0.324 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 125.2 | 177.7 | -175.3 | 0 | 0 | 0 | 0 | 109.5 | F186 C188 | F186-C201 HydrophobicContact CE2-CB 4.21Å; C188-C201 WeakPolarHBondContact CA-SG 3.24Å; C188-C201 HydrophobicContact CB-CB 3.69Å; C188-C201 WeakPolarHBondContact CB-SG 3.01Å; C188-C201 WeakPolarHBondContact SG-CA 3.43Å; C188-C201 WeakPolarHBondContact SG-CB 3.41Å; C188-C201 CovalentContact SG-SG 2.03Å; C188-C201 PolarHBondContact SG-SG 3.37Å |
| 202 | C | 95.5 | Very high | 87.1 | Confident | 5 Ų | 5 | 83.7 Ų | 83.7 | 3% | 0.034 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 113.3 | 175.5 | -172.8 | 0 | 0 | 0 | 0 | 109.9 | A214 K215 Y217 C224 G227 V228 | C202-A214 CarbonylContact O-C 3.51Å; C202-A214 WeakPolarHBondContact O-CA 3.32Å; C202-A214 WeakPolarHBondContact O-CB 3.16Å; C202-K215 WeakPolarHBondContact CB-O 3Å; C202-K215 PolarHBondContact N-O 2.04Å; C202-K215 PolarHBondContact O-N 3.09Å; C202-Y217 HydrophobicContact CB-CD1 3.61Å; C202-Y217 HydrophobicContact CB-CE1 3.86Å; C202-Y217 HydrophobicContact CB-CG 4.46Å; C202-C224 WeakPolarHBondContact CA-SG 2.88Å; C202-C224 HydrophobicContact CB-CB 3.57Å; C202-C224 WeakPolarHBondContact CB-SG 3.12Å; C202-C224 WeakPolarHBondContact SG-CA 3.41Å; C202-C224 WeakPolarHBondContact SG-CB 3.3Å; C202-C224 CovalentContact SG-SG 2.04Å; C202-C224 PolarHBondContact SG-SG 3.33Å; C202-G227 PolarHBondContact SG-O 3.47Å; C202-V228 HydrophobicContact CB-CG2 3.53Å |
| 203 | V | 91 | Very high | 86.8 | Confident | 56 Ų | 56 | 90 Ų | 90 | 34% | 0.339 | 42% | 0.418 | S | S | . | . | trans | -107.4 | 130.6 | 179.1 | -174.8 | 0 | 0 | 0 | 0 | 108.1 | R211 A214 | V203-R211 HydrophobicContact CG1-CG 3.87Å; V203-A214 HydrophobicContact CB-CB 4.34Å; V203-A214 HydrophobicContact CG2-CB 3.79Å | ||
| 204 | S | 80.8 | Confident | 86.7 | Confident | 18 Ų | 18 | 88.3 Ų | 88.3 | 13% | 0.126 | 41% | 0.412 | C | S | . | . | trans | -71.2 | 126.9 | 167.9 | 171.9 | 0 | 0 | 0 | 0 | 108.8 | L206 E210 N226 | S204-L206 VanDerWaalsContact C-N 3.34Å; S204-E210 WeakPolarHBondContact CB-OE2 3.39Å; S204-E210 PolarHBondContact OG-OE2 2.65Å; S204-N226 PolarHBondContact OG-OD1 2.78Å | ||
| 205 | E | 71.2 | Confident | 86.8 | Confident | 138 Ų | 138 | 91.3 Ų | 91.3 | 65% | 0.645 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -86.7 | -7 | -178.8 | -63 | -168.6 | 167.9 | 0 | 0 | 113 | ||
| 206 | L | 69.5 | Low | 86.9 | Confident | 49 Ų | 49 | 85.8 Ų | 85.8 | 26% | 0.257 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -78.1 | -31.5 | -171.9 | -61.7 | -178.7 | 0 | 0 | 0 | 113.1 | S204 N226 I252 | S204-L206 VanDerWaalsContact C-N 3.34Å; L206-N226 VanDerWaalsContact CD1-ND2 3.35Å; L206-N226 WeakPolarHBondContact CD1-ND2 3.34Å; L206-I252 HydrophobicContact CD2-CB 4.48Å; L206-I252 HydrophobicContact CD2-CG1 3.99Å; L206-I252 HydrophobicContact CD2-CG2 4.49Å |
| 207 | Y | 70.1 | Confident | 87.1 | Confident | 148 Ų | 148 | 79.4 Ų | 79.4 | 58% | 0.58 | 37% | 0.369 | S | S | * | . | trans | -140.4 | 123.2 | -174.4 | -56.8 | -72.2 | 0 | 0 | 0 | 111 | E209 E210 | Y207-E209 PolarHBondContact O-N 2.93Å; Y207-E210 HydrophobicContact CD2-CG 4.37Å; Y207-E210 WeakPolarHBondContact O-CB 3.39Å; Y207-E210 PolarHBondContact O-N 3.48Å | ||
| 208 | E | 73.9 | Confident | 87.2 | Confident | 152 Ų | 152 | 73 Ų | 73 | 71% | 0.71 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -58.9 | -35.3 | 178.1 | -66 | -167.1 | 154.8 | 0 | 0 | 112.2 | E210 R211 | E208-E210 PolarHBondContact O-N 2.8Å; E208-R211 WeakPolarHBondContact O-CB 3.31Å; E208-R211 WeakPolarHBondContact O-CG 3.36Å; E208-R211 PolarHBondContact O-N 3.18Å; E208-R211 VanDerWaalsContact O-N 3.14Å |
| 209 | E | 78 | Confident | 87.1 | Confident | 164 Ų | 164 | 75 Ų | 75 | 77% | 0.766 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -62.5 | -20.7 | 176.9 | -58.7 | -178.5 | -160.8 | 0 | 0 | 112.9 | Y207 Q212 | Y207-E209 PolarHBondContact O-N 2.93Å; E209-Q212 WeakPolarHBondContact O-CG 3.42Å; E209-Q212 PolarHBondContact O-NE2 2.92Å |
| 210 | E | 78.3 | Confident | 87.2 | Confident | 70 Ų | 70 | 79.1 Ų | 79.1 | 33% | 0.327 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -84.9 | -8.6 | 179 | -70.7 | -176.4 | 165.3 | 0 | 0 | 113.7 | S204 Y207 E208 Q212 Y213 A214 | S204-E210 WeakPolarHBondContact CB-OE2 3.39Å; S204-E210 PolarHBondContact OG-OE2 2.65Å; Y207-E210 HydrophobicContact CD2-CG 4.37Å; Y207-E210 WeakPolarHBondContact O-CB 3.39Å; Y207-E210 PolarHBondContact O-N 3.48Å; E208-E210 PolarHBondContact O-N 2.8Å; E210-Q212 PolarHBondContact O-N 2.93Å; E210-Q212 VanDerWaalsContact O-N 3.15Å; E210-Y213 HydrophobicContact CB-CD2 4.44Å; E210-Y213 HydrophobicContact CG-CD2 4.4Å; E210-Y213 WeakPolarHBondContact O-CA 3.31Å; E210-Y213 WeakPolarHBondContact O-CB 3.34Å; E210-Y213 PolarHBondContact O-N 3.1Å; E210-A214 PolarHBondContact O-N 2.78Å |
| 211 | R | 83.1 | Confident | 87.2 | Confident | 152 Ų | 152 | 84.5 Ų | 84.5 | 57% | 0.574 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -57.5 | -32 | 177.6 | -69.9 | -177.8 | 177.9 | 174 | 5.3 | 112.4 | G189 V203 E208 Y213 A214 | G189-R211 VanDerWaalsContact CA-O 3.28Å; G189-R211 WeakPolarHBondContact CA-O 3.08Å; V203-R211 HydrophobicContact CG1-CG 3.87Å; E208-R211 WeakPolarHBondContact O-CB 3.31Å; E208-R211 WeakPolarHBondContact O-CG 3.36Å; E208-R211 PolarHBondContact O-N 3.18Å; E208-R211 VanDerWaalsContact O-N 3.14Å; R211-Y213 PolarHBondContact O-N 2.82Å; R211-A214 VanDerWaalsContact O-CB 3.26Å; R211-A214 WeakPolarHBondContact O-CB 3.01Å; R211-A214 PolarHBondContact O-N 2.93Å |
| 212 | Q | 85.7 | Confident | 87.2 | Confident | 96 Ų | 96 | 84.9 Ų | 84.9 | 45% | 0.449 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -65.8 | -24.6 | 174.7 | 72.4 | -171.7 | -48.4 | 0 | 0 | 113.3 | G189 S190 E209 E210 | G189-Q212 WeakPolarHBondContact CA-O 3.36Å; S190-Q212 PolarHBondContact N-O 3.36Å; E209-Q212 WeakPolarHBondContact O-CG 3.42Å; E209-Q212 PolarHBondContact O-NE2 2.92Å; E210-Q212 PolarHBondContact O-N 2.93Å; E210-Q212 VanDerWaalsContact O-N 3.15Å |
| 213 | Y | 87.8 | Confident | 87.3 | Confident | 173 Ų | 173 | 85.8 Ų | 85.8 | 68% | 0.678 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -95 | 6.6 | 178.6 | -54.3 | -59.4 | 0 | 0 | 0 | 113.2 | E210 R211 K215 | E210-Y213 HydrophobicContact CB-CD2 4.44Å; E210-Y213 HydrophobicContact CG-CD2 4.4Å; E210-Y213 WeakPolarHBondContact O-CA 3.31Å; E210-Y213 WeakPolarHBondContact O-CB 3.34Å; E210-Y213 PolarHBondContact O-N 3.1Å; R211-Y213 PolarHBondContact O-N 2.82Å; Y213-K215 PolarHBondContact O-N 2.8Å |
| 214 | A | 93.7 | Very high | 87.5 | Confident | 6 Ų | 6 | 84.5 Ų | 84.5 | 5% | 0.05 | 39% | 0.385 | C | S | . | . | trans | -52.4 | 142.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | C202 V203 E210 R211 | C202-A214 CarbonylContact O-C 3.51Å; C202-A214 WeakPolarHBondContact O-CA 3.32Å; C202-A214 WeakPolarHBondContact O-CB 3.16Å; V203-A214 HydrophobicContact CB-CB 4.34Å; V203-A214 HydrophobicContact CG2-CB 3.79Å; E210-A214 PolarHBondContact O-N 2.78Å; R211-A214 VanDerWaalsContact O-CB 3.26Å; R211-A214 WeakPolarHBondContact O-CB 3.01Å; R211-A214 PolarHBondContact O-N 2.93Å | ||
| 215 | K | 95.4 | Very high | 88.2 | Confident | 106 Ų | 106 | 83.8 Ų | 83.8 | 46% | 0.461 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 127.9 | -170.2 | -171.2 | -178.2 | 174.7 | -169.1 | 0 | 110.8 | C188 C202 Y213 V228 | C188-K215 PolarHBondContact SG-N 3.4Å; C202-K215 WeakPolarHBondContact CB-O 3Å; C202-K215 PolarHBondContact N-O 2.04Å; C202-K215 PolarHBondContact O-N 3.09Å; Y213-K215 PolarHBondContact O-N 2.8Å; K215-V228 HydrophobicContact CB-CG2 3.97Å; K215-V228 HydrophobicContact CD-CB 4.29Å; K215-V228 HydrophobicContact CD-CG2 3.94Å; K215-V228 HydrophobicContact CG-CG2 4.13Å |
| 216 | G | 96.8 | Very high | 89.1 | Confident | 3 Ų | 3 | 80 Ų | 80 | 3% | 0.031 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 136.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | C188 Y193 A200 | C188-G216 PolarHBondContact SG-N 3.25Å; C188-G216 VanDerWaalsContact SG-N 3.37Å; Y193-G216 PolarHBondContact OH-N 2.98Å; A200-G216 CarbonylContact O-C 3.55Å; A200-G216 VanDerWaalsContact O-CA 3.31Å; A200-G216 WeakPolarHBondContact O-CA 3.33Å |
| 217 | Y | 97.2 | Very high | 90.2 | Very high | 36 Ų | 36 | 79 Ų | 79 | 14% | 0.141 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 161.1 | 177.7 | 75.7 | -75.3 | 0 | 0 | 0 | 111.5 | S198 N199 A200 C202 T219 E222 C224 V228 | S198-Y217 CarbonylContact C-O 3.59Å; S198-Y217 WeakPolarHBondContact CA-O 3.26Å; N199-Y217 PolarHBondContact N-O 3.31Å; N199-Y217 PolarHBondContact OD1-O 2.81Å; A200-Y217 HydrophobicContact CB-CD1 3.99Å; A200-Y217 HydrophobicContact CB-CE1 3.38Å; A200-Y217 HydrophobicContact CB-CE2 4.35Å; A200-Y217 PolarHBondContact N-O 3.27Å; A200-Y217 VanDerWaalsContact N-O 3.13Å; A200-Y217 WeakPolarHBondContact O-CD1 3.49Å; A200-Y217 PolarHBondContact O-N 2.03Å; C202-Y217 HydrophobicContact CB-CD1 3.61Å; C202-Y217 HydrophobicContact CB-CE1 3.86Å; C202-Y217 HydrophobicContact CB-CG 4.46Å; Y217-T219 HydrophobicContact CE2-CG2 3.8Å; Y217-E222 VanDerWaalsContact CA-OE2 3.31Å; Y217-E222 WeakPolarHBondContact CA-OE2 3.19Å; Y217-E222 WeakPolarHBondContact CB-OE2 3.03Å; Y217-E222 HydrophobicContact CD2-CB 3.94Å; Y217-C224 HydrophobicContact CD1-CB 4.26Å; Y217-C224 HydrophobicContact CE1-CB 3.61Å; Y217-C224 HydrophobicContact CE2-CB 4.04Å; Y217-C224 VanDerWaalsContact CZ-CB 3.48Å; Y217-V228 HydrophobicContact CG-CG1 4.37Å; Y217-V228 HydrophobicContact CG-CG2 4.34Å |
| 218 | N | 97.5 | Very high | 91.4 | Very high | 17 Ų | 17 | 73.4 Ų | 73.4 | 9% | 0.091 | 35% | 0.346 | C | S | . | . | trans | -95.1 | 111.5 | 177.2 | -170.3 | -57 | 0 | 0 | 0 | 110.4 | K197 E220 K221 E222 | K197-N218 WeakPolarHBondContact O-CB 3.28Å; K197-N218 PolarHBondContact O-ND2 3.34Å; N218-E220 PolarHBondContact O-N 2.86Å; N218-E220 VanDerWaalsContact OD1-CB 3.29Å; N218-E220 WeakPolarHBondContact OD1-CB 3.26Å; N218-E220 PolarHBondContact OD1-N 3.38Å; N218-K221 PolarHBondContact O-N 3.08Å; N218-K221 VanDerWaalsContact O-N 3.09Å; N218-E222 PolarHBondContact N-OE2 3.05Å; N218-E222 WeakPolarHBondContact O-CA 3.41Å; N218-E222 WeakPolarHBondContact O-CB 3.44Å; N218-E222 PolarHBondContact O-N 3.43Å | ||
| 219 | T | 96.2 | Very high | 92.5 | Very high | 55 Ų | 55 | 68.4 Ų | 68.4 | 34% | 0.337 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -13.6 | -177.5 | 57.8 | 0 | 0 | 0 | 0 | 114.5 | N199 A200 Y217 K231 | N199-T219 PolarHBondContact ND2-OG1 2.89Å; N199-T219 WeakPolarHBondContact OD1-CG2 3.29Å; N199-T219 PolarHBondContact OD1-N 2.85Å; N199-T219 PolarHBondContact OD1-OG1 3.22Å; N199-T219 VanDerWaalsContact OD1-OG1 3.1Å; A200-T219 HydrophobicContact CB-CG2 3.45Å; A200-T219 VanDerWaalsContact CB-CG2 3.45Å; Y217-T219 HydrophobicContact CE2-CG2 3.8Å; T219-K231 WeakPolarHBondContact O-CE 3.15Å; T219-K231 PolarHBondContact O-NZ 2.76Å |
| 220 | E | 95.9 | Very high | 93.4 | Very high | 147 Ų | 147 | 64 Ų | 64 | 69% | 0.687 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -32.2 | 175.5 | -56.4 | -177.5 | 160.1 | 0 | 0 | 112 | N218 | N218-E220 PolarHBondContact O-N 2.86Å; N218-E220 VanDerWaalsContact OD1-CB 3.29Å; N218-E220 WeakPolarHBondContact OD1-CB 3.26Å; N218-E220 PolarHBondContact OD1-N 3.38Å |
| 221 | K | 96.9 | Very high | 94.3 | Very high | 136 Ų | 136 | 64.6 Ų | 64.6 | 59% | 0.591 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.4 | -21.2 | -171.1 | -61.6 | 175.1 | -174.5 | 169.3 | 0 | 113.7 | N218 K231 | N218-K221 PolarHBondContact O-N 3.08Å; N218-K221 VanDerWaalsContact O-N 3.09Å; K221-K231 WeakPolarHBondContact O-CB 3.37Å; K221-K231 PolarHBondContact O-N 2.63Å |
| 222 | E | 97.6 | Very high | 94.9 | Very high | 56 Ų | 56 | 65.8 Ų | 65.8 | 26% | 0.262 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 151.7 | -171.2 | -61.1 | 172.5 | 126.8 | 0 | 0 | 110.8 | Y217 N218 V228 H229 K231 | Y217-E222 VanDerWaalsContact CA-OE2 3.31Å; Y217-E222 WeakPolarHBondContact CA-OE2 3.19Å; Y217-E222 WeakPolarHBondContact CB-OE2 3.03Å; Y217-E222 HydrophobicContact CD2-CB 3.94Å; N218-E222 PolarHBondContact N-OE2 3.05Å; N218-E222 WeakPolarHBondContact O-CA 3.41Å; N218-E222 WeakPolarHBondContact O-CB 3.44Å; N218-E222 PolarHBondContact O-N 3.43Å; E222-V228 HydrophobicContact CB-CG1 3.85Å; E222-V228 HydrophobicContact CG-CG1 4.13Å; E222-H229 CarbonylContact C-O 3.55Å; E222-H229 WeakPolarHBondContact CA-O 3.44Å; E222-H229 WeakPolarHBondContact CB-O 3.12Å; E222-K231 WeakPolarHBondContact O-CE 3.33Å |
| 223 | L | 96.6 | Very high | 95.4 | Very high | 24 Ų | 24 | 66.4 Ų | 66.4 | 13% | 0.126 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 132.6 | 177.9 | 173.1 | 71.6 | 0 | 0 | 0 | 108.6 | C225 V228 H229 K231 F234 T236 | L223-C225 HydrophobicContact CD2-CB 4.05Å; L223-C225 HydrophobicContact CG-CB 4.19Å; L223-V228 WeakPolarHBondContact O-CA 3.3Å; L223-H229 PolarHBondContact N-O 3.05Å; L223-H229 PolarHBondContact O-N 2.97Å; L223-K231 HydrophobicContact CB-CG 4.14Å; L223-F234 HydrophobicContact CD2-CB 4.16Å; L223-F234 WeakPolarHBondContact CD2-O 2.81Å; L223-T236 WeakPolarHBondContact CD2-O 3.46Å |
| 224 | C | 95.8 | Very high | 95.8 | Very high | 29 Ų | 29 | 61.5 Ų | 61.5 | 20% | 0.196 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 117.7 | 164.7 | -178.6 | 0 | 0 | 0 | 0 | 109.5 | C202 Y217 G227 C237 | C202-C224 WeakPolarHBondContact CA-SG 2.88Å; C202-C224 HydrophobicContact CB-CB 3.57Å; C202-C224 WeakPolarHBondContact CB-SG 3.12Å; C202-C224 WeakPolarHBondContact SG-CA 3.41Å; C202-C224 WeakPolarHBondContact SG-CB 3.3Å; C202-C224 CovalentContact SG-SG 2.04Å; C202-C224 PolarHBondContact SG-SG 3.33Å; Y217-C224 HydrophobicContact CD1-CB 4.26Å; Y217-C224 HydrophobicContact CE1-CB 3.61Å; Y217-C224 HydrophobicContact CE2-CB 4.04Å; Y217-C224 VanDerWaalsContact CZ-CB 3.48Å; C224-G227 CarbonylContact C-O 3.6Å; C224-G227 WeakPolarHBondContact CA-O 3.33Å; C224-C237 PolarHBondContact O-SG 2.65Å |
| 225 | C | 94.8 | Very high | 95.9 | Very high | 3 Ų | 3 | 63.7 Ų | 63.7 | 2% | 0.02 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -151.7 | 87.9 | 176.9 | -153.3 | 0 | 0 | 0 | 0 | 110.1 | L223 G227 H229 C237 I254 P255 | L223-C225 HydrophobicContact CD2-CB 4.05Å; L223-C225 HydrophobicContact CG-CB 4.19Å; C225-G227 CarbonylContact C-O 3.52Å; C225-G227 PolarHBondContact N-O 3.46Å; C225-G227 PolarHBondContact O-N 3.17Å; C225-H229 PolarHBondContact O-CD2 2.96Å; C225-H229 PolarHBondContact O-NE2 3.44Å; C225-C237 WeakPolarHBondContact CA-SG 3.34Å; C225-C237 HydrophobicContact CB-CB 4.31Å; C225-C237 WeakPolarHBondContact CB-SG 3.42Å; C225-C237 WeakPolarHBondContact SG-CA 3.48Å; C225-C237 WeakPolarHBondContact SG-CB 2.94Å; C225-C237 CovalentContact SG-SG 2.02Å; C225-C237 PolarHBondContact SG-SG 2.87Å; C225-I254 VanDerWaalsContact SG-C 3.51Å; C225-P255 HydrophobicContact CB-CB 3.89Å; C225-P255 VanDerWaalsContact SG-N 3.38Å |
| 226 | N | 90.3 | Very high | 95.9 | Very high | 59 Ų | 59 | 60.8 Ų | 60.8 | 32% | 0.316 | 31% | 0.306 | S | S | . | . | S | Bend | trans | 48.9 | 45.1 | -170.9 | -167.2 | 28.1 | 0 | 0 | 0 | 112 | S204 L206 P253 | S204-N226 PolarHBondContact OG-OD1 2.78Å; L206-N226 VanDerWaalsContact CD1-ND2 3.35Å; L206-N226 WeakPolarHBondContact CD1-ND2 3.34Å; N226-P253 HydrophobicContact CB-CB 4.16Å; N226-P253 HydrophobicContact CB-CG 3.99Å; N226-P253 WeakPolarHBondContact CB-O 3.35Å |
| 227 | G | 92.1 | Very high | 95.8 | Very high | 26 Ų | 26 | 61.4 Ų | 61.4 | 27% | 0.268 | 31% | 0.309 | S | S | . | . | S | Bend | trans | 125.5 | 169.4 | -166.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | C202 C224 C225 H229 | C202-G227 PolarHBondContact SG-O 3.47Å; C224-G227 CarbonylContact C-O 3.6Å; C224-G227 WeakPolarHBondContact CA-O 3.33Å; C225-G227 CarbonylContact C-O 3.52Å; C225-G227 PolarHBondContact N-O 3.46Å; C225-G227 PolarHBondContact O-N 3.17Å; G227-H229 PolarHBondContact O-CD2 2.02Å; G227-H229 VanDerWaalsContact O-CD2 3.27Å |
| 228 | V | 95.5 | Very high | 95.7 | Very high | 31 Ų | 31 | 59.7 Ų | 59.7 | 19% | 0.188 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 126.5 | -175.4 | -179 | 0 | 0 | 0 | 0 | 110.3 | C202 K215 Y217 E222 L223 | C202-V228 HydrophobicContact CB-CG2 3.53Å; K215-V228 HydrophobicContact CB-CG2 3.97Å; K215-V228 HydrophobicContact CD-CB 4.29Å; K215-V228 HydrophobicContact CD-CG2 3.94Å; K215-V228 HydrophobicContact CG-CG2 4.13Å; Y217-V228 HydrophobicContact CG-CG1 4.37Å; Y217-V228 HydrophobicContact CG-CG2 4.34Å; E222-V228 HydrophobicContact CB-CG1 3.85Å; E222-V228 HydrophobicContact CG-CG1 4.13Å; L223-V228 WeakPolarHBondContact O-CA 3.3Å |
| 229 | H | 96.8 | Very high | 95.5 | Very high | 48 Ų | 48 | 64.6 Ų | 64.6 | 22% | 0.222 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 151.4 | -175.4 | -59.9 | -77.3 | 0 | 0 | 0 | 112.1 | E222 L223 C225 G227 F234 | E222-H229 CarbonylContact C-O 3.55Å; E222-H229 WeakPolarHBondContact CA-O 3.44Å; E222-H229 WeakPolarHBondContact CB-O 3.12Å; L223-H229 PolarHBondContact N-O 3.05Å; L223-H229 PolarHBondContact O-N 2.97Å; C225-H229 PolarHBondContact O-CD2 2.96Å; C225-H229 PolarHBondContact O-NE2 3.44Å; G227-H229 PolarHBondContact O-CD2 2.02Å; G227-H229 VanDerWaalsContact O-CD2 3.27Å; H229-F234 HydrophobicContact CB-CB 4.37Å; H229-F234 HydrophobicContact CB-CD2 3.96Å |
| 230 | D | 97.6 | Very high | 95.1 | Very high | 70 Ų | 70 | 62.7 Ų | 62.7 | 37% | 0.374 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 127.6 | 174.2 | -172.6 | -27.8 | 0 | 0 | 0 | 110.5 | K232 L233 F234 | D230-K232 PolarHBondContact O-N 2.75Å; D230-K232 VanDerWaalsContact OD1-CB 3.3Å; D230-K232 WeakPolarHBondContact OD1-CB 3.38Å; D230-K232 WeakPolarHBondContact OD1-CG 3.32Å; D230-K232 PolarHBondContact OD1-N 2.77Å; D230-L233 PolarHBondContact O-N 2.88Å; D230-F234 PolarHBondContact O-N 3.03Å |
| 231 | K | 96.9 | Very high | 94.5 | Very high | 83 Ų | 83 | 58.1 Ų | 58.1 | 36% | 0.361 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -19.1 | 178.6 | -80.5 | -177 | 163.5 | -168.2 | 0 | 114.8 | T219 K221 E222 L223 L233 F234 | T219-K231 WeakPolarHBondContact O-CE 3.15Å; T219-K231 PolarHBondContact O-NZ 2.76Å; K221-K231 WeakPolarHBondContact O-CB 3.37Å; K221-K231 PolarHBondContact O-N 2.63Å; E222-K231 WeakPolarHBondContact O-CE 3.33Å; L223-K231 HydrophobicContact CB-CG 4.14Å; K231-L233 PolarHBondContact O-N 3.5Å; K231-F234 VanDerWaalsContact CA-O 3.32Å; K231-F234 WeakPolarHBondContact CA-O 3.45Å |
| 232 | K | 95 | Very high | 93.6 | Very high | 178 Ų | 178 | 53.1 Ų | 53.1 | 77% | 0.774 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -28.5 | 172.2 | -65.6 | 173 | -176.6 | 171.9 | 0 | 112 | D230 | D230-K232 PolarHBondContact O-N 2.75Å; D230-K232 VanDerWaalsContact OD1-CB 3.3Å; D230-K232 WeakPolarHBondContact OD1-CB 3.38Å; D230-K232 WeakPolarHBondContact OD1-CG 3.32Å; D230-K232 PolarHBondContact OD1-N 2.77Å |
| 233 | L | 96.4 | Very high | 92.3 | Very high | 109 Ų | 109 | 56.2 Ų | 56.2 | 57% | 0.571 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | -47 | -179.6 | -59.2 | 179.5 | 0 | 0 | 0 | 110.9 | D230 K231 N257 | D230-L233 PolarHBondContact O-N 2.88Å; K231-L233 PolarHBondContact O-N 3.5Å; L233-N257 VanDerWaalsContact O-CB 3.32Å; L233-N257 WeakPolarHBondContact O-CB 3.47Å; L233-N257 PolarHBondContact O-ND2 3.08Å |
| 234 | F | 96.8 | Very high | 91.1 | Very high | 69 Ų | 69 | 59.9 Ų | 59.9 | 30% | 0.303 | 33% | 0.326 | S | S | . | . | trans | -133.1 | 118.4 | -174.6 | -52.1 | -74.3 | 0 | 0 | 0 | 110.8 | L223 H229 D230 K231 P255 | L223-F234 HydrophobicContact CD2-CB 4.16Å; L223-F234 WeakPolarHBondContact CD2-O 2.81Å; H229-F234 HydrophobicContact CB-CB 4.37Å; H229-F234 HydrophobicContact CB-CD2 3.96Å; D230-F234 PolarHBondContact O-N 3.03Å; K231-F234 VanDerWaalsContact CA-O 3.32Å; K231-F234 WeakPolarHBondContact CA-O 3.45Å; F234-P255 HydrophobicContact CB-CB 3.92Å; F234-P255 HydrophobicContact CD1-CB 4.03Å; F234-P255 HydrophobicContact CD2-CB 4.35Å; F234-P255 HydrophobicContact CG-CB 3.85Å | ||
| 235 | D | 95.4 | Very high | 89.8 | Confident | 53 Ų | 53 | 60.9 Ų | 60.9 | 28% | 0.283 | 33% | 0.329 | S | S | . | . | trans | -104.1 | -11.4 | -175.3 | 60.3 | -10.8 | 0 | 0 | 0 | 113.5 | Y256 N257 S258 | D235-Y256 PolarHBondContact N-O 2.78Å; D235-N257 WeakPolarHBondContact OD1-CA 3.3Å; D235-S258 PolarHBondContact OD1-N 3.49Å; D235-S258 PolarHBondContact OD1-OG 2.99Å; D235-S258 PolarHBondContact OD2-OG 3.32Å | ||
| 236 | T | 95.9 | Very high | 88.2 | Confident | 45 Ų | 45 | 65.7 Ų | 65.7 | 28% | 0.276 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 167.5 | -179.5 | -173.3 | 0 | 0 | 0 | 0 | 113.4 | L223 Y256 | L223-T236 WeakPolarHBondContact CD2-O 3.46Å; T236-Y256 HydrophobicContact CG2-CD1 3.82Å; T236-Y256 HydrophobicContact CG2-CD2 4.22Å; T236-Y256 HydrophobicContact CG2-CE1 3.34Å; T236-Y256 HydrophobicContact CG2-CE2 3.8Å; T236-Y256 HydrophobicContact CG2-CG 4.24Å; T236-Y256 PolarHBondContact N-O 2.93Å; T236-Y256 PolarHBondContact O-N 3.22Å |
| 237 | C | 95.8 | Very high | 87.1 | Confident | 15 Ų | 15 | 68.1 Ų | 68.1 | 10% | 0.101 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 140.3 | 173.1 | -70.2 | 0 | 0 | 0 | 0 | 111.9 | C224 C225 Y239 P253 I254 | C224-C237 PolarHBondContact O-SG 2.65Å; C225-C237 WeakPolarHBondContact CA-SG 3.34Å; C225-C237 HydrophobicContact CB-CB 4.31Å; C225-C237 WeakPolarHBondContact CB-SG 3.42Å; C225-C237 WeakPolarHBondContact SG-CA 3.48Å; C225-C237 WeakPolarHBondContact SG-CB 2.94Å; C225-C237 CovalentContact SG-SG 2.02Å; C225-C237 PolarHBondContact SG-SG 2.87Å; C237-Y239 HydrophobicContact CB-CD2 4.17Å; C237-Y239 HydrophobicContact CB-CE2 3.56Å; C237-P253 HydrophobicContact CB-CB 4.49Å; C237-I254 CarbonylContact C-O 3.49Å |
| 238 | C | 94.8 | Very high | 85.6 | Confident | 0 Ų | 0 | 75.5 Ų | 75.5 | 0% | 0 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 128.3 | 162.2 | -174.6 | 0 | 0 | 0 | 0 | 108.9 | P253 I254 Y256 C263 V268 | C238-P253 CarbonylContact O-C 3.54Å; C238-P253 WeakPolarHBondContact O-CA 3.45Å; C238-I254 HydrophobicContact CB-CB 4.4Å; C238-I254 PolarHBondContact N-O 2.89Å; C238-I254 PolarHBondContact O-N 3.02Å; C238-Y256 HydrophobicContact CB-CD1 3.66Å; C238-Y256 HydrophobicContact CB-CE1 3.69Å; C238-C263 WeakPolarHBondContact CA-SG 3.38Å; C238-C263 HydrophobicContact CB-CB 3.53Å; C238-C263 WeakPolarHBondContact CB-SG 3.32Å; C238-C263 WeakPolarHBondContact SG-CB 3.46Å; C238-C263 CovalentContact SG-SG 2.03Å; C238-C263 PolarHBondContact SG-SG 3.26Å; C238-V268 HydrophobicContact CB-CG2 3.5Å; C238-V268 VanDerWaalsContact CB-CG2 3.5Å |
| 239 | Y | 91.8 | Very high | 84.1 | Confident | 120 Ų | 120 | 82.6 Ų | 82.6 | 47% | 0.471 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 109.9 | 179.8 | -68.8 | -90.2 | 0 | 0 | 0 | 109.2 | C237 L251 P253 | C237-Y239 HydrophobicContact CB-CD2 4.17Å; C237-Y239 HydrophobicContact CB-CE2 3.56Å; Y239-L251 HydrophobicContact CD1-CB 4.2Å; Y239-P253 HydrophobicContact CD1-CB 4.1Å; Y239-P253 HydrophobicContact CD1-CG 4.29Å; Y239-P253 HydrophobicContact CE1-CB 3.77Å; Y239-P253 HydrophobicContact CE1-CG 3.93Å |
| 240 | V | 88.8 | Confident | 83.1 | Confident | 15 Ų | 15 | 81.7 Ų | 81.7 | 9% | 0.091 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 147.1 | -178.7 | -61.9 | 0 | 0 | 0 | 0 | 111.1 | L251 I252 I254 | V240-L251 CarbonylContact O-C 3.59Å; V240-L251 WeakPolarHBondContact O-CA 3.3Å; V240-I252 HydrophobicContact CG2-CB 4.02Å; V240-I252 PolarHBondContact N-O 3.07Å; V240-I252 VanDerWaalsContact N-O 3.08Å; V240-I252 PolarHBondContact O-N 3.43Å; V240-I254 HydrophobicContact CG1-CD1 4.25Å; V240-I254 HydrophobicContact CG2-CD1 3.48Å; V240-I254 VanDerWaalsContact CG2-CD1 3.48Å; V240-I254 HydrophobicContact CG2-CG1 4.14Å |
| 241 | S | 83.8 | Confident | 82.5 | Confident | 51 Ų | 51 | 82.3 Ų | 82.3 | 36% | 0.357 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 135.5 | 174.2 | -58.5 | 0 | 0 | 0 | 0 | 110.7 | P243 | S241-P243 VanDerWaalsContact O-CD 3.23Å; S241-P243 WeakPolarHBondContact O-CD 3.23Å |
| 242 | D | 76.5 | Confident | 82 | Confident | 31 Ų | 31 | 80.3 Ų | 80.3 | 17% | 0.166 | 42% | 0.42 | C | S | . | . | trans | -78.3 | 109.9 | 170.4 | -175.5 | -6 | 0 | 0 | 0 | 110.6 | S244 N245 A250 I252 | D242-S244 PolarHBondContact O-N 2.69Å; D242-S244 VanDerWaalsContact OD1-CB 3.3Å; D242-S244 WeakPolarHBondContact OD1-CB 3.45Å; D242-S244 PolarHBondContact OD1-N 3.39Å; D242-S244 PolarHBondContact OD1-OG 2.79Å; D242-S244 PolarHBondContact OD2-OG 3.22Å; D242-S244 VanDerWaalsContact OD2-OG 3.08Å; D242-N245 HydrophobicContact CB-CB 4.07Å; D242-N245 PolarHBondContact O-N 2.98Å; D242-A250 PolarHBondContact N-O 3.47Å; D242-I252 HydrophobicContact CB-CD1 3.68Å; D242-I252 HydrophobicContact CB-CG1 3.95Å | ||
| 243 | P | 71 | Confident | 81.8 | Confident | 122 Ų | 122 | 72.2 Ų | 72.2 | 79% | 0.792 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -17.2 | 179.4 | 28.9 | -34 | 0 | 0 | 0 | 113 | S241 N245 | S241-P243 VanDerWaalsContact O-CD 3.23Å; S241-P243 WeakPolarHBondContact O-CD 3.23Å; P243-N245 VanDerWaalsContact C-N 3.33Å |
| 244 | S | 71 | Confident | 81.7 | Confident | 101 Ų | 101 | 70 Ų | 70 | 71% | 0.706 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -19.3 | 177.1 | 76.7 | 0 | 0 | 0 | 0 | 112.7 | D242 S246 | D242-S244 PolarHBondContact O-N 2.69Å; D242-S244 VanDerWaalsContact OD1-CB 3.3Å; D242-S244 WeakPolarHBondContact OD1-CB 3.45Å; D242-S244 PolarHBondContact OD1-N 3.39Å; D242-S244 PolarHBondContact OD1-OG 2.79Å; D242-S244 PolarHBondContact OD2-OG 3.22Å; D242-S244 VanDerWaalsContact OD2-OG 3.08Å; S244-S246 PolarHBondContact O-N 3.33Å |
| 245 | N | 68.8 | Low | 81.6 | Confident | 50 Ų | 50 | 68.1 Ų | 68.1 | 27% | 0.267 | 37% | 0.368 | S | S | . | . | trans | -90.7 | 102.4 | 179 | -166.2 | -25.3 | 0 | 0 | 0 | 110.1 | D242 P243 N247 W248 | D242-N245 HydrophobicContact CB-CB 4.07Å; D242-N245 PolarHBondContact O-N 2.98Å; P243-N245 VanDerWaalsContact C-N 3.33Å; N245-N247 PolarHBondContact O-N 3.06Å; N245-N247 PolarHBondContact OD1-N 2.03Å; N245-W248 PolarHBondContact O-N 3.36Å | ||
| 246 | S | 62.4 | Low | 81.7 | Confident | 103 Ų | 103 | 67.1 Ų | 67.1 | 72% | 0.72 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -18.4 | -177.8 | 52.1 | 0 | 0 | 0 | 0 | 114.7 | S244 | S244-S246 PolarHBondContact O-N 3.33Š|
| 247 | N | 65.4 | Low | 81.7 | Confident | 110 Ų | 110 | 66.5 Ų | 66.5 | 59% | 0.588 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | 3 | -179.5 | -70.8 | -36 | 0 | 0 | 0 | 114.4 | N245 K249 | N245-N247 PolarHBondContact O-N 3.06Å; N245-N247 PolarHBondContact OD1-N 2.03Å; N247-K249 HydrophobicContact CB-CB 4.46Å; N247-K249 HydrophobicContact CB-CD 4.29Å; N247-K249 HydrophobicContact CB-CG 4.1Å; N247-K249 PolarHBondContact O-N 3.25Å |
| 248 | W | 61.6 | Low | 81.6 | Confident | 181 Ų | 181 | 68.3 Ų | 68.3 | 69% | 0.686 | 37% | 0.369 | S | S | * | . | trans | 50.6 | 22.2 | -179.2 | -58.1 | 75 | 0 | 0 | 0 | 113.9 | N245 | N245-W248 PolarHBondContact O-N 3.36Š| ||
| 249 | K | 64.9 | Low | 81.4 | Confident | 180 Ų | 180 | 78.3 Ų | 78.3 | 78% | 0.783 | 41% | 0.407 | S | S | * | . | trans | -82.4 | -27.6 | -169.6 | -88.9 | -174.2 | 177.5 | -175.2 | 0 | 113 | N247 | N247-K249 HydrophobicContact CB-CB 4.46Å; N247-K249 HydrophobicContact CB-CD 4.29Å; N247-K249 HydrophobicContact CB-CG 4.1Å; N247-K249 PolarHBondContact O-N 3.25Å | ||
| 250 | A | 74.3 | Confident | 81.5 | Confident | 29 Ų | 29 | 76 Ų | 76 | 24% | 0.24 | 41% | 0.405 | C | S | . | . | trans | -106.4 | 122.8 | -177 | 0 | 0 | 0 | 0 | 0 | 109.9 | D242 | D242-A250 PolarHBondContact N-O 3.47Š| ||
| 251 | L | 84.5 | Confident | 81.8 | Confident | 83 Ų | 83 | 78.5 Ų | 78.5 | 44% | 0.435 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 136 | 164.9 | -63.7 | 173.5 | 0 | 0 | 0 | 108 | Y239 V240 P253 | Y239-L251 HydrophobicContact CD1-CB 4.2Å; V240-L251 CarbonylContact O-C 3.59Å; V240-L251 WeakPolarHBondContact O-CA 3.3Å; L251-P253 WeakPolarHBondContact O-CD 2.98Å |
| 252 | I | 87.1 | Confident | 82.2 | Confident | 42 Ų | 42 | 76.9 Ų | 76.9 | 22% | 0.215 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 116.8 | 175.1 | -56.8 | 172.8 | 0 | 0 | 0 | 107.8 | L206 V240 D242 I254 | L206-I252 HydrophobicContact CD2-CB 4.48Å; L206-I252 HydrophobicContact CD2-CG1 3.99Å; L206-I252 HydrophobicContact CD2-CG2 4.49Å; V240-I252 HydrophobicContact CG2-CB 4.02Å; V240-I252 PolarHBondContact N-O 3.07Å; V240-I252 VanDerWaalsContact N-O 3.08Å; V240-I252 PolarHBondContact O-N 3.43Å; D242-I252 HydrophobicContact CB-CD1 3.68Å; D242-I252 HydrophobicContact CB-CG1 3.95Å; I252-I254 HydrophobicContact CG2-CG1 4.23Å; I252-I254 PolarHBondContact O-N 2.77Å |
| 253 | P | 91.8 | Very high | 83 | Confident | 7 Ų | 7 | 77.7 Ų | 77.7 | 5% | 0.045 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 123.9 | 171.1 | -0.1 | 14.7 | 0 | 0 | 0 | 110.1 | N226 C237 C238 Y239 L251 | N226-P253 HydrophobicContact CB-CB 4.16Å; N226-P253 HydrophobicContact CB-CG 3.99Å; N226-P253 WeakPolarHBondContact CB-O 3.35Å; C237-P253 HydrophobicContact CB-CB 4.49Å; C238-P253 CarbonylContact O-C 3.54Å; C238-P253 WeakPolarHBondContact O-CA 3.45Å; Y239-P253 HydrophobicContact CD1-CB 4.1Å; Y239-P253 HydrophobicContact CD1-CG 4.29Å; Y239-P253 HydrophobicContact CE1-CB 3.77Å; Y239-P253 HydrophobicContact CE1-CG 3.93Å; L251-P253 WeakPolarHBondContact O-CD 2.98Å |
| 254 | I | 92.7 | Very high | 83.9 | Confident | 62 Ų | 62 | 74 Ų | 74 | 32% | 0.318 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 118.4 | 176.5 | -57.9 | 178.2 | 0 | 0 | 0 | 108.7 | C225 C237 C238 V240 I252 V268 | C225-I254 VanDerWaalsContact SG-C 3.51Å; C237-I254 CarbonylContact C-O 3.49Å; C238-I254 HydrophobicContact CB-CB 4.4Å; C238-I254 PolarHBondContact N-O 2.89Å; C238-I254 PolarHBondContact O-N 3.02Å; V240-I254 HydrophobicContact CG1-CD1 4.25Å; V240-I254 HydrophobicContact CG2-CD1 3.48Å; V240-I254 VanDerWaalsContact CG2-CD1 3.48Å; V240-I254 HydrophobicContact CG2-CG1 4.14Å; I252-I254 HydrophobicContact CG2-CG1 4.23Å; I252-I254 PolarHBondContact O-N 2.77Å; I254-V268 HydrophobicContact CB-CG2 4.25Å; I254-V268 HydrophobicContact CG2-CG2 3.8Å |
| 255 | P | 95.8 | Very high | 84.5 | Confident | 30 Ų | 30 | 77.9 Ų | 77.9 | 20% | 0.195 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 135.8 | 177.5 | 28.5 | -35.5 | 0 | 0 | 0 | 110.8 | C225 F234 | C225-P255 HydrophobicContact CB-CB 3.89Å; C225-P255 VanDerWaalsContact SG-N 3.38Å; F234-P255 HydrophobicContact CB-CB 3.92Å; F234-P255 HydrophobicContact CD1-CB 4.03Å; F234-P255 HydrophobicContact CD2-CB 4.35Å; F234-P255 HydrophobicContact CG-CB 3.85Å |
| 256 | Y | 96.2 | Very high | 85.3 | Confident | 32 Ų | 32 | 79.4 Ų | 79.4 | 13% | 0.125 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 167.2 | 171.9 | 77.6 | -79.5 | 0 | 0 | 0 | 112.2 | D235 T236 C238 H261 C263 V268 | D235-Y256 PolarHBondContact N-O 2.78Å; T236-Y256 HydrophobicContact CG2-CD1 3.82Å; T236-Y256 HydrophobicContact CG2-CD2 4.22Å; T236-Y256 HydrophobicContact CG2-CE1 3.34Å; T236-Y256 HydrophobicContact CG2-CE2 3.8Å; T236-Y256 HydrophobicContact CG2-CG 4.24Å; T236-Y256 PolarHBondContact N-O 2.93Å; T236-Y256 PolarHBondContact O-N 3.22Å; C238-Y256 HydrophobicContact CB-CD1 3.66Å; C238-Y256 HydrophobicContact CB-CE1 3.69Å; Y256-H261 HydrophobicContact CD2-CB 3.89Å; Y256-H261 VanDerWaalsContact CE2-O 3.28Å; Y256-H261 WeakPolarHBondContact CE2-O 3.46Å; Y256-C263 HydrophobicContact CE1-CB 3.67Å; Y256-C263 HydrophobicContact CE2-CB 4.44Å; Y256-V268 VanDerWaalsContact CB-CG1 3.46Å; Y256-V268 HydrophobicContact CD1-CG2 4.08Å; Y256-V268 HydrophobicContact CD2-CG1 4.31Å; Y256-V268 HydrophobicContact CG-CG1 3.99Å; Y256-V268 HydrophobicContact CG-CG2 4.06Å |
| 257 | N | 96 | Very high | 86.6 | Confident | 32 Ų | 32 | 74.7 Ų | 74.7 | 17% | 0.171 | 37% | 0.369 | C | S | . | . | trans | -100.2 | 109.1 | 175.4 | -171.8 | -55.2 | 0 | 0 | 0 | 109.7 | L233 D235 R259 T260 H261 | L233-N257 VanDerWaalsContact O-CB 3.32Å; L233-N257 WeakPolarHBondContact O-CB 3.47Å; L233-N257 PolarHBondContact O-ND2 3.08Å; D235-N257 WeakPolarHBondContact OD1-CA 3.3Å; N257-R259 PolarHBondContact O-N 2.94Å; N257-R259 VanDerWaalsContact OD1-CB 3.3Å; N257-R259 WeakPolarHBondContact OD1-CB 3.3Å; N257-R259 PolarHBondContact OD1-N 3.21Å; N257-T260 WeakPolarHBondContact CB-OG1 3.03Å; N257-T260 PolarHBondContact O-N 2.87Å; N257-T260 VanDerWaalsContact O-N 3.07Å; N257-T260 PolarHBondContact O-OG1 3.33Å; N257-H261 PolarHBondContact O-N 3.08Å | ||
| 258 | S | 93.5 | Very high | 87.9 | Confident | 54 Ų | 54 | 71.8 Ų | 71.8 | 38% | 0.378 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -14.2 | -174.9 | 72.1 | 0 | 0 | 0 | 0 | 115.1 | D235 H261 I271 | D235-S258 PolarHBondContact OD1-N 3.49Å; D235-S258 PolarHBondContact OD1-OG 2.99Å; D235-S258 PolarHBondContact OD2-OG 3.32Å; S258-H261 CarbonylContact C-O 3.5Å; S258-H261 WeakPolarHBondContact CA-O 3.49Å; S258-I271 WeakPolarHBondContact O-CD1 3.32Å |
| 259 | R | 91.6 | Very high | 89.4 | Confident | 209 Ų | 209 | 65.1 Ų | 65.1 | 79% | 0.789 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -19.8 | 179.1 | -52.1 | 179.9 | -177 | -173.9 | -1.3 | 113.4 | N257 | N257-R259 PolarHBondContact O-N 2.94Å; N257-R259 VanDerWaalsContact OD1-CB 3.3Å; N257-R259 WeakPolarHBondContact OD1-CB 3.3Å; N257-R259 PolarHBondContact OD1-N 3.21Å |
| 260 | T | 93.5 | Very high | 90.7 | Very high | 72 Ų | 72 | 59.9 Ų | 59.9 | 44% | 0.442 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.4 | -21.1 | -175.7 | 55.3 | 0 | 0 | 0 | 0 | 112.5 | N257 I271 | N257-T260 WeakPolarHBondContact CB-OG1 3.03Å; N257-T260 PolarHBondContact O-N 2.87Å; N257-T260 VanDerWaalsContact O-N 3.07Å; N257-T260 PolarHBondContact O-OG1 3.33Å; T260-I271 PolarHBondContact O-N 3.4Å |
| 261 | H | 95 | Very high | 91.5 | Very high | 68 Ų | 68 | 60.5 Ų | 60.5 | 32% | 0.315 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 159 | -179.2 | -62.7 | 74.8 | 0 | 0 | 0 | 109.6 | Y256 N257 S258 V268 K269 I271 | Y256-H261 HydrophobicContact CD2-CB 3.89Å; Y256-H261 VanDerWaalsContact CE2-O 3.28Å; Y256-H261 WeakPolarHBondContact CE2-O 3.46Å; N257-H261 PolarHBondContact O-N 3.08Å; S258-H261 CarbonylContact C-O 3.5Å; S258-H261 WeakPolarHBondContact CA-O 3.49Å; H261-V268 HydrophobicContact CB-CG1 3.66Å; H261-K269 CarbonylContact C-O 3.41Å; H261-K269 WeakPolarHBondContact CA-O 3.43Å; H261-K269 VanDerWaalsContact CB-O 3.27Å; H261-K269 WeakPolarHBondContact CB-O 3.28Å; H261-I271 WeakPolarHBondContact O-CD1 3.46Å |
| 262 | C | 93.2 | Very high | 91.7 | Very high | 17 Ų | 17 | 58.9 Ų | 58.9 | 12% | 0.115 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 165.3 | 172.1 | 69.1 | 0 | 0 | 0 | 0 | 110.5 | V268 K269 I271 C278 | C262-V268 CarbonylContact O-C 3.59Å; C262-V268 VanDerWaalsContact O-CA 3.32Å; C262-V268 WeakPolarHBondContact O-CA 2.85Å; C262-K269 PolarHBondContact N-O 2.91Å; C262-K269 PolarHBondContact O-N 3.36Å; C262-I271 HydrophobicContact CB-CG1 4.12Å; C262-C278 HydrophobicContact CB-CB 4.27Å; C262-C278 WeakPolarHBondContact CB-SG 3.27Å; C262-C278 WeakPolarHBondContact SG-CA 3.39Å; C262-C278 WeakPolarHBondContact SG-CB 3.26Å; C262-C278 CovalentContact SG-SG 2Å; C262-C278 PolarHBondContact SG-SG 3.02Å |
| 263 | C | 92.9 | Very high | 91.6 | Very high | 47 Ų | 47 | 63 Ų | 63 | 32% | 0.318 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 129.7 | 178.9 | 174.8 | 0 | 0 | 0 | 0 | 109.7 | C238 Y256 G267 | C238-C263 WeakPolarHBondContact CA-SG 3.38Å; C238-C263 HydrophobicContact CB-CB 3.53Å; C238-C263 WeakPolarHBondContact CB-SG 3.32Å; C238-C263 WeakPolarHBondContact SG-CB 3.46Å; C238-C263 CovalentContact SG-SG 2.03Å; C238-C263 PolarHBondContact SG-SG 3.26Å; Y256-C263 HydrophobicContact CE1-CB 3.67Å; Y256-C263 HydrophobicContact CE2-CB 4.44Å; C263-G267 WeakPolarHBondContact CA-O 3.09Å |
| 264 | D | 88.9 | Confident | 91.3 | Very high | 44 Ų | 44 | 67.6 Ų | 67.6 | 24% | 0.235 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | -174.2 | 167.1 | 71.1 | 21.2 | 0 | 0 | 0 | 110.8 | T266 G267 K269 | D264-T266 PolarHBondContact O-N 2.56Å; D264-T266 VanDerWaalsContact OD1-CA 3.28Å; D264-T266 WeakPolarHBondContact OD1-CA 3.49Å; D264-T266 WeakPolarHBondContact OD1-CB 3.34Å; D264-T266 PolarHBondContact OD1-N 2.9Å; D264-T266 PolarHBondContact OD1-OG1 3.35Å; D264-T266 PolarHBondContact OD2-OG1 3.44Å; D264-G267 PolarHBondContact N-O 2.95Å; D264-G267 PolarHBondContact O-N 3.37Å; D264-G267 VanDerWaalsContact O-N 3.08Å; D264-G267 PolarHBondContact OD1-N 3.42Å; D264-K269 IonicContact OD1-NZ 3.89Å; D264-K269 WeakPolarHBondContact OD2-CE 3.03Å; D264-K269 IonicContact OD2-NZ 2.78Å; D264-K269 PolarHBondContact OD2-NZ 2.75Å |
| 265 | F | 84.8 | Confident | 90.9 | Very high | 184 Ų | 184 | 68.6 Ų | 68.6 | 81% | 0.807 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -15.7 | -179.6 | 70.3 | -89 | 0 | 0 | 0 | 114 | ||
| 266 | T | 84.8 | Confident | 90.2 | Very high | 81 Ų | 81 | 69.9 Ų | 69.9 | 50% | 0.497 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -19.4 | 173.7 | 69.1 | 0 | 0 | 0 | 0 | 112.4 | D264 K269 | D264-T266 PolarHBondContact O-N 2.56Å; D264-T266 VanDerWaalsContact OD1-CA 3.28Å; D264-T266 WeakPolarHBondContact OD1-CA 3.49Å; D264-T266 WeakPolarHBondContact OD1-CB 3.34Å; D264-T266 PolarHBondContact OD1-N 2.9Å; D264-T266 PolarHBondContact OD1-OG1 3.35Å; D264-T266 PolarHBondContact OD2-OG1 3.44Å; T266-K269 WeakPolarHBondContact OG1-CE 3.28Å; T266-K269 PolarHBondContact OG1-NZ 3.49Å |
| 267 | G | 89.5 | Confident | 89.6 | Confident | 5 Ų | 5 | 75.3 Ų | 75.3 | 5% | 0.052 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 129.8 | -147.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | C263 D264 | C263-G267 WeakPolarHBondContact CA-O 3.09Å; D264-G267 PolarHBondContact N-O 2.95Å; D264-G267 PolarHBondContact O-N 3.37Å; D264-G267 VanDerWaalsContact O-N 3.08Å; D264-G267 PolarHBondContact OD1-N 3.42Å |
| 268 | V | 93.5 | Very high | 88.9 | Confident | 49 Ų | 49 | 75.9 Ų | 75.9 | 30% | 0.297 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 123.6 | -174.1 | -179.1 | 0 | 0 | 0 | 0 | 109.8 | C238 I254 Y256 H261 C262 | C238-V268 HydrophobicContact CB-CG2 3.5Å; C238-V268 VanDerWaalsContact CB-CG2 3.5Å; I254-V268 HydrophobicContact CB-CG2 4.25Å; I254-V268 HydrophobicContact CG2-CG2 3.8Å; Y256-V268 VanDerWaalsContact CB-CG1 3.46Å; Y256-V268 HydrophobicContact CD1-CG2 4.08Å; Y256-V268 HydrophobicContact CD2-CG1 4.31Å; Y256-V268 HydrophobicContact CG-CG1 3.99Å; Y256-V268 HydrophobicContact CG-CG2 4.06Å; H261-V268 HydrophobicContact CB-CG1 3.66Å; C262-V268 CarbonylContact O-C 3.59Å; C262-V268 VanDerWaalsContact O-CA 3.32Å; C262-V268 WeakPolarHBondContact O-CA 2.85Å |
| 269 | K | 92.5 | Very high | 88 | Confident | 40 Ų | 40 | 77.7 Ų | 77.7 | 17% | 0.174 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 150.3 | 178.8 | -66.6 | 178.9 | -178.9 | 160.1 | 0 | 111.5 | H261 C262 D264 T266 D279 | H261-K269 CarbonylContact C-O 3.41Å; H261-K269 WeakPolarHBondContact CA-O 3.43Å; H261-K269 VanDerWaalsContact CB-O 3.27Å; H261-K269 WeakPolarHBondContact CB-O 3.28Å; C262-K269 PolarHBondContact N-O 2.91Å; C262-K269 PolarHBondContact O-N 3.36Å; D264-K269 IonicContact OD1-NZ 3.89Å; D264-K269 WeakPolarHBondContact OD2-CE 3.03Å; D264-K269 IonicContact OD2-NZ 2.78Å; D264-K269 PolarHBondContact OD2-NZ 2.75Å; T266-K269 WeakPolarHBondContact OG1-CE 3.28Å; T266-K269 PolarHBondContact OG1-NZ 3.49Å; K269-D279 WeakPolarHBondContact CD-O 3.27Å |
| 270 | P | 93.5 | Very high | 86.9 | Confident | 70 Ų | 70 | 72.7 Ų | 72.7 | 46% | 0.455 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 149.1 | 173.3 | -22.1 | 34.1 | 0 | 0 | 0 | 112.4 | D279 | P270-D279 PolarHBondContact O-N 2.93Å; P270-D279 VanDerWaalsContact O-N 3.12Å |
| 271 | I | 91.2 | Very high | 85.2 | Confident | 43 Ų | 43 | 76.8 Ų | 76.8 | 22% | 0.221 | 46% | 0.46 | C | S | . | . | B | Isolated β-bridge | trans | -84.7 | 128.2 | 167.5 | -66.1 | 169 | 0 | 0 | 0 | 107.7 | S258 T260 H261 C262 P273 | S258-I271 WeakPolarHBondContact O-CD1 3.32Å; T260-I271 PolarHBondContact O-N 3.4Å; H261-I271 WeakPolarHBondContact O-CD1 3.46Å; C262-I271 HydrophobicContact CB-CG1 4.12Å; I271-P273 VanDerWaalsContact O-CD 3.27Å; I271-P273 WeakPolarHBondContact O-CD 2.9Å |
| 272 | D | 88.6 | Confident | 84.7 | Confident | 48 Ų | 48 | 77.3 Ų | 77.3 | 26% | 0.257 | 47% | 0.467 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 116.7 | 169.8 | 168.6 | 8.8 | 0 | 0 | 0 | 109.2 | S274 T275 G276 K277 | D272-S274 VanDerWaalsContact CG-OG 3.24Å; D272-S274 PolarHBondContact O-N 3.12Å; D272-S274 WeakPolarHBondContact OD1-CB 3.4Å; D272-S274 PolarHBondContact OD1-N 2Å; D272-S274 PolarHBondContact OD1-OG 3.04Å; D272-S274 PolarHBondContact OD2-OG 2.98Å; D272-T275 WeakPolarHBondContact CB-OG1 3.5Å; D272-T275 VanDerWaalsContact CG-OG1 3.27Å; D272-T275 PolarHBondContact O-N 2.78Å; D272-T275 WeakPolarHBondContact OD2-CB 3.42Å; D272-T275 VanDerWaalsContact OD2-CG2 3.26Å; D272-T275 WeakPolarHBondContact OD2-CG2 3.46Å; D272-T275 PolarHBondContact OD2-OG1 3.39Å; D272-G276 WeakPolarHBondContact O-CA 3.38Å; D272-G276 PolarHBondContact O-N 2.84Å; D272-K277 PolarHBondContact N-O 3.42Å |
| 273 | P | 83.4 | Confident | 84.2 | Confident | 130 Ų | 130 | 80.4 Ų | 80.4 | 84% | 0.844 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -24.3 | -177.2 | -20.4 | 32.1 | 0 | 0 | 0 | 113.8 | I271 | I271-P273 VanDerWaalsContact O-CD 3.27Å; I271-P273 WeakPolarHBondContact O-CD 2.9Å |
| 274 | S | 85.2 | Confident | 83.8 | Confident | 103 Ų | 103 | 82.3 Ų | 82.3 | 72% | 0.72 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -35.3 | -176.5 | 72.5 | 0 | 0 | 0 | 0 | 112.7 | D272 | D272-S274 VanDerWaalsContact CG-OG 3.24Å; D272-S274 PolarHBondContact O-N 3.12Å; D272-S274 WeakPolarHBondContact OD1-CB 3.4Å; D272-S274 PolarHBondContact OD1-N 2Å; D272-S274 PolarHBondContact OD1-OG 3.04Å; D272-S274 PolarHBondContact OD2-OG 2.98Å |
| 275 | T | 86.2 | Confident | 83.5 | Confident | 82 Ų | 82 | 84.5 Ų | 84.5 | 50% | 0.503 | 51% | 0.511 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | -18.3 | -178.2 | 59.8 | 0 | 0 | 0 | 0 | 113.4 | D272 K277 | D272-T275 WeakPolarHBondContact CB-OG1 3.5Å; D272-T275 VanDerWaalsContact CG-OG1 3.27Å; D272-T275 PolarHBondContact O-N 2.78Å; D272-T275 WeakPolarHBondContact OD2-CB 3.42Å; D272-T275 VanDerWaalsContact OD2-CG2 3.26Å; D272-T275 WeakPolarHBondContact OD2-CG2 3.46Å; D272-T275 PolarHBondContact OD2-OG1 3.39Å; T275-K277 PolarHBondContact O-N 3.38Å; T275-K277 PolarHBondContact OG1-N 3.18Å |
| 276 | G | 81.3 | Confident | 83.4 | Confident | 58 Ų | 58 | 78.3 Ų | 78.3 | 60% | 0.598 | 49% | 0.492 | S | S | * | . | S | Bend | trans | 66.4 | 13.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | D272 | D272-G276 WeakPolarHBondContact O-CA 3.38Å; D272-G276 PolarHBondContact O-N 2.84Å |
| 277 | K | 82.5 | Confident | 83.3 | Confident | 146 Ų | 146 | 78.1 Ų | 78.1 | 64% | 0.635 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -104.9 | 160 | -179 | -67.4 | -177.1 | 179.1 | -179.8 | 0 | 110.6 | D272 T275 D279 | D272-K277 PolarHBondContact N-O 3.42Å; T275-K277 PolarHBondContact O-N 3.38Å; T275-K277 PolarHBondContact OG1-N 3.18Å; K277-D279 PolarHBondContact O-N 3.27Å |
| 278 | C | 80.5 | Confident | 82.9 | Confident | 44 Ų | 44 | 83.4 Ų | 83.4 | 30% | 0.297 | 52% | 0.523 | S | S | . | . | B | Isolated β-bridge | trans | -55.8 | 131.4 | 166.3 | -69.8 | 0 | 0 | 0 | 0 | 110.4 | C262 S280 | C262-C278 HydrophobicContact CB-CB 4.27Å; C262-C278 WeakPolarHBondContact CB-SG 3.27Å; C262-C278 WeakPolarHBondContact SG-CA 3.39Å; C262-C278 WeakPolarHBondContact SG-CB 3.26Å; C262-C278 CovalentContact SG-SG 2Å; C262-C278 PolarHBondContact SG-SG 3.02Å; C278-S280 PolarHBondContact O-N 2.75Å; C278-S280 PolarHBondContact O-OG 2.7Å; C278-S280 VanDerWaalsContact O-OG 3.04Å |
| 279 | D | 76.1 | Confident | 82 | Confident | 91 Ų | 91 | 86 Ų | 86 | 49% | 0.487 | 54% | 0.541 | S | S | . | . | trans | -58.4 | 112.7 | 171.7 | -158.6 | -4.6 | 0 | 0 | 0 | 108.8 | K269 P270 K277 S281 | K269-D279 WeakPolarHBondContact CD-O 3.27Å; P270-D279 PolarHBondContact O-N 2.93Å; P270-D279 VanDerWaalsContact O-N 3.12Å; K277-D279 PolarHBondContact O-N 3.27Å; D279-S281 PolarHBondContact O-N 2.85Å | ||
| 280 | S | 67.7 | Low | 81.2 | Confident | 104 Ų | 104 | 89.8 Ų | 89.8 | 73% | 0.727 | 57% | 0.571 | S | S | * | * | trans | -97.9 | 77.4 | -175.2 | -52.9 | 0 | 0 | 0 | 0 | 106.8 | C278 | C278-S280 PolarHBondContact O-N 2.75Å; C278-S280 PolarHBondContact O-OG 2.7Å; C278-S280 VanDerWaalsContact O-OG 3.04Å | ||
| 281 | S | 57.8 | Low | 80 | Confident | 159 Ų | 159 | 91.6 Ų | 91.6 | 100% | 1.112 | 58% | 0.582 | S | S | * | * | trans | -59.3 | 0 | 167 | 57.2 | 0 | 0 | 0 | 0 | 110.8 | D279 | D279-S281 PolarHBondContact O-N 2.85Š|
Retrieved 281 of 281 residues in 107.5 ms
(Link to these results)