| 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 | 32.7 | Very low | 33.9 | Very low | 244 Ų | 244 | 139.6 Ų | 139.6 | 100% | 1.202 | 77% | 0.773 | S | S | * | * | 0 | 127 | 0 | -137.5 | 176.2 | -157.7 | 0 | 0 | 106.8 | |||||
| 2 | A | 28.6 | Very low | 33.8 | Very low | 96 Ų | 96 | 142.1 Ų | 142.1 | 79% | 0.793 | 76% | 0.764 | S | S | * | * | trans | 59.9 | 115.8 | 165.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 3 | A | 31.7 | Very low | 34.1 | Very low | 83 Ų | 83 | 143.1 Ų | 143.1 | 69% | 0.686 | 77% | 0.767 | S | S | * | * | 105.1 | 105.7 | 92.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 4 | T | 38.3 | Very low | 34.3 | Very low | 129 Ų | 129 | 148.8 Ų | 148.8 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | 36.7 | 109.4 | 95.1 | 62.8 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 5 | H | 35.7 | Very low | 34.4 | Very low | 167 Ų | 167 | 147.7 Ų | 147.7 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | 175.4 | 124.9 | 107.4 | -128.1 | -115.7 | 0 | 0 | 0 | 108.1 | |||||
| 6 | S | 34.6 | Very low | 34.8 | Very low | 84 Ų | 84 | 144.4 Ų | 144.4 | 59% | 0.587 | 77% | 0.77 | S | S | * | * | 65.5 | 112.5 | 112 | 84.2 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 7 | S | 32.8 | Very low | 34.9 | Very low | 91 Ų | 91 | 145.8 Ų | 145.8 | 64% | 0.636 | 77% | 0.773 | S | S | * | * | 93.6 | 113.5 | 87.2 | -174.1 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 8 | E | 41 | Very low | 35.1 | Very low | 167 Ų | 167 | 144.1 Ų | 144.1 | 78% | 0.78 | 76% | 0.764 | S | S | * | * | trans | 59.2 | 104.7 | 146.4 | -63 | 177.6 | 168.1 | 0 | 0 | 116.6 | ||||
| 9 | Y | 29.5 | Very low | 35.4 | Very low | 198 Ų | 198 | 144.3 Ų | 144.3 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | -171 | 129.8 | 114.9 | -120.3 | -105.8 | 0 | 0 | 0 | 109.9 | |||||
| 10 | R | 36.5 | Very low | 35.5 | Very low | 181 Ų | 181 | 146.4 Ų | 146.4 | 68% | 0.683 | 77% | 0.769 | S | S | * | * | trans | 61 | 107.7 | 157 | -79.5 | -179.3 | 163.6 | 127.1 | -4.3 | 119.5 | Y12 | R10-Y12 HydrophobicContact CB-CD2 4.42Å; R10-Y12 HydrophobicContact CB-CE2 4.5Å; R10-Y12 HydrophobicContact CG-CD2 4.26Å; R10-Y12 HydrophobicContact CG-CE2 3.87Å | ||
| 11 | A | 32.1 | Very low | 35.4 | Very low | 96 Ų | 96 | 144 Ų | 144 | 79% | 0.793 | 77% | 0.771 | S | S | * | * | -163.4 | 89.3 | 125.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | |||||
| 12 | Y | 32.5 | Very low | 35.4 | Very low | 169 Ų | 169 | 135.7 Ų | 135.7 | 66% | 0.663 | 75% | 0.747 | S | S | * | * | 43.7 | 108.1 | 99.7 | -74.6 | -78.8 | 0 | 0 | 0 | 114.2 | R10 | R10-Y12 HydrophobicContact CB-CD2 4.42Å; R10-Y12 HydrophobicContact CB-CE2 4.5Å; R10-Y12 HydrophobicContact CG-CD2 4.26Å; R10-Y12 HydrophobicContact CG-CE2 3.87Å | |||
| 13 | L | 38 | Very low | 35.9 | Very low | 155 Ų | 155 | 138.6 Ų | 138.6 | 81% | 0.812 | 75% | 0.745 | S | S | * | * | trans | 66.5 | 102.6 | 136.9 | -57.4 | 167.1 | 0 | 0 | 0 | 116.2 | ||||
| 14 | R | 36.4 | Very low | 36 | Very low | 223 Ų | 223 | 143.1 Ų | 143.1 | 84% | 0.842 | 75% | 0.751 | S | S | * | * | -167 | 122.3 | 114.3 | -106.2 | 175.6 | -175.2 | 172.8 | 3.1 | 111.9 | |||||
| 15 | N | 35.1 | Very low | 36.4 | Very low | 132 Ų | 132 | 147.3 Ų | 147.3 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | trans | 76.3 | 102 | 141.7 | -52.9 | -19.5 | 0 | 0 | 0 | 115.1 | ||||
| 16 | A | 41 | Very low | 36.4 | Very low | 96 Ų | 96 | 148 Ų | 148 | 79% | 0.793 | 75% | 0.754 | S | S | * | * | 47 | 89.1 | 64.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 17 | M | 36.2 | Very low | 36.8 | Very low | 167 Ų | 167 | 149 Ų | 149 | 82% | 0.823 | 76% | 0.758 | S | S | * | * | trans | -163.7 | 114.8 | 139.3 | -98.6 | -176.4 | 85.4 | 0 | 0 | 108.4 | ||||
| 18 | D | 39.4 | Very low | 37.1 | Very low | 116 Ų | 116 | 150.8 Ų | 150.8 | 62% | 0.62 | 77% | 0.768 | S | S | * | * | trans | 67.1 | 98.4 | 146.3 | -56.4 | -30.8 | 0 | 0 | 0 | 119.1 | ||||
| 19 | I | 41.6 | Very low | 37.6 | Very low | 148 Ų | 148 | 149 Ų | 149 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | 78.7 | 93.2 | 93.1 | -74.6 | 169.7 | 0 | 0 | 0 | 109.3 | |||||
| 20 | E | 35.8 | Very low | 38.4 | Very low | 185 Ų | 185 | 145.1 Ų | 145.1 | 86% | 0.864 | 77% | 0.767 | S | S | * | * | 46.2 | 118.8 | 67.3 | -139.3 | -172.4 | -176.5 | 0 | 0 | 111 | |||||
| 21 | A | 34.3 | Very low | 39.1 | Very low | 98 Ų | 98 | 140.8 Ų | 140.8 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | cis | -159.2 | 172.3 | 21.4 | 0 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 22 | G | 31.8 | Very low | 40.2 | Very low | 68 Ų | 68 | 141 Ų | 141 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | cis | 179.8 | 159.8 | 21.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 23 | Q | 39.7 | Very low | 41.4 | Very low | 158 Ų | 158 | 139.9 Ų | 139.9 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | trans | -47.9 | 151.2 | -174.2 | -71.3 | 136.4 | -58.5 | 0 | 0 | 116.6 | ||||
| 24 | Q | 34.1 | Very low | 42.2 | Very low | 177 Ų | 177 | 137 Ų | 137 | 83% | 0.827 | 75% | 0.752 | S | S | * | * | -140.4 | 129.7 | 120 | -75.7 | -147.2 | -23.6 | 0 | 0 | 111.6 | |||||
| 25 | R | 45.5 | Very low | 43.1 | Very low | 218 Ų | 218 | 130.8 Ų | 130.8 | 82% | 0.823 | 74% | 0.738 | S | S | * | * | trans | -75.4 | 133.8 | 174.7 | -76.8 | 177.4 | 169.1 | 121.1 | -4.7 | 110.2 | ||||
| 26 | F | 37.1 | Very low | 44.1 | Very low | 180 Ų | 180 | 131.6 Ų | 131.6 | 79% | 0.789 | 73% | 0.733 | S | S | * | * | trans | -129.1 | 145.5 | 149.6 | -74.6 | -78.5 | 0 | 0 | 0 | 108.9 | ||||
| 27 | P | 42.4 | Very low | 45 | Very low | 106 Ų | 106 | 135.8 Ų | 135.8 | 69% | 0.688 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 162.7 | -178.8 | 32 | -34 | 0 | 0 | 0 | 111.6 | V29 | P27-V29 PolarHBondContact O-N 3.36Š|
| 28 | P | 40.1 | Very low | 46.3 | Very low | 128 Ų | 128 | 131.8 Ų | 131.8 | 83% | 0.831 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 128.2 | -177.8 | 28.7 | -32.4 | 0 | 0 | 0 | 110.6 | ||
| 29 | V | 50.1 | Low | 47.7 | Very low | 130 Ų | 130 | 131.5 Ų | 131.5 | 79% | 0.788 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 128.8 | 162.7 | 176.5 | 0 | 0 | 0 | 0 | 107.4 | P27 S31 | P27-V29 PolarHBondContact O-N 3.36Å; V29-S31 PolarHBondContact O-N 3.08Å; V29-S31 VanDerWaalsContact O-N 3.12Å |
| 30 | P | 47.2 | Very low | 49.3 | Very low | 116 Ų | 116 | 129 Ų | 129 | 75% | 0.753 | 70% | 0.698 | S | S | * | * | trans | -71.5 | 110.1 | 175.4 | 28.1 | -30.1 | 0 | 0 | 0 | 108.8 | S32 | P30-S32 PolarHBondContact O-N 3.12Å; P30-S32 VanDerWaalsContact O-N 3.08Å | ||
| 31 | S | 51.5 | Low | 51.3 | Low | 91 Ų | 91 | 125.8 Ų | 125.8 | 64% | 0.636 | 69% | 0.686 | S | S | * | * | trans | -69.5 | 99.9 | 170.2 | 58.5 | 0 | 0 | 0 | 0 | 109.2 | V29 E33 | V29-S31 PolarHBondContact O-N 3.08Å; V29-S31 VanDerWaalsContact O-N 3.12Å; S31-E33 PolarHBondContact O-N 3.09Å; S31-E33 VanDerWaalsContact O-N 3.09Å | ||
| 32 | S | 54.6 | Low | 53.5 | Low | 100 Ų | 100 | 122.8 Ų | 122.8 | 70% | 0.699 | 66% | 0.664 | S | S | * | * | trans | -77.6 | 28.2 | 174.3 | 52.8 | 0 | 0 | 0 | 0 | 113.4 | P30 | P30-S32 PolarHBondContact O-N 3.12Å; P30-S32 VanDerWaalsContact O-N 3.08Å | ||
| 33 | E | 56.8 | Low | 56 | Low | 146 Ų | 146 | 123.2 Ų | 123.2 | 68% | 0.682 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -82.9 | -21.8 | -172.1 | -75.9 | -167.2 | 132 | 0 | 0 | 117.7 | S31 | S31-E33 PolarHBondContact O-N 3.09Å; S31-E33 VanDerWaalsContact O-N 3.09Å |
| 34 | P | 54.6 | Low | 58.2 | Low | 95 Ų | 95 | 121.5 Ų | 121.5 | 62% | 0.617 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -82 | -29.9 | 180 | 29 | -30.2 | 0 | 0 | 0 | 113.1 | S38 | P34-S38 PolarHBondContact O-N 3.49Å |
| 35 | T | 55.5 | Low | 60.8 | Low | 91 Ų | 91 | 115.6 Ų | 115.6 | 56% | 0.558 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -76 | -37 | -174.9 | -44 | 0 | 0 | 0 | 0 | 112.1 | S38 L39 | T35-S38 PolarHBondContact O-N 3.36Å; T35-L39 HydrophobicContact CG2-CD1 4.07Å; T35-L39 VanDerWaalsContact O-CG 3.3Å; T35-L39 WeakPolarHBondContact O-CG 3.48Å; T35-L39 PolarHBondContact O-N 3.45Å |
| 36 | Y | 56.2 | Low | 63 | Low | 150 Ų | 150 | 109.8 Ų | 109.8 | 59% | 0.588 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -64.3 | -46.6 | 179.7 | -168.6 | -98.3 | 0 | 0 | 0 | 111.2 | S38 L39 F40 | Y36-S38 VanDerWaalsContact C-N 3.35Å; Y36-S38 PolarHBondContact O-N 3.06Å; Y36-L39 PolarHBondContact O-N 3.02Å; Y36-F40 AromaticContact CD1-CD2 3.62Å; Y36-F40 HydrophobicContact CD1-CD2 3.62Å; Y36-F40 AromaticContact CD1-CE2 3.66Å; Y36-F40 HydrophobicContact CD1-CE2 3.66Å; Y36-F40 HydrophobicContact CD1-CG 4.44Å; Y36-F40 HydrophobicContact CD1-CZ 4.46Å; Y36-F40 HydrophobicContact CD2-CD2 4.15Å; Y36-F40 AromaticContact CD2-CE2 3.67Å; Y36-F40 HydrophobicContact CD2-CE2 3.67Å; Y36-F40 AromaticContact CE1-CD2 3.53Å; Y36-F40 HydrophobicContact CE1-CD2 3.53Å; Y36-F40 HydrophobicContact CE1-CE1 4.25Å; Y36-F40 AromaticContact CE1-CE2 3.17Å; Y36-F40 HydrophobicContact CE1-CE2 3.17Å; Y36-F40 HydrophobicContact CE1-CG 4.24Å; Y36-F40 AromaticContact CE1-CZ 3.56Å; Y36-F40 HydrophobicContact CE1-CZ 3.56Å; Y36-F40 HydrophobicContact CE2-CD2 4.08Å; Y36-F40 AromaticContact CE2-CE2 3.2Å; Y36-F40 HydrophobicContact CE2-CE2 3.2Å; Y36-F40 AromaticContact CE2-CZ 3.82Å; Y36-F40 HydrophobicContact CE2-CZ 3.82Å; Y36-F40 AromaticContact CG-CD2 3.96Å; Y36-F40 HydrophobicContact CG-CD2 3.96Å; Y36-F40 AromaticContact CG-CE2 3.91Å; Y36-F40 HydrophobicContact CG-CE2 3.91Å; Y36-F40 AromaticContact CZ-CD2 3.79Å; Y36-F40 AromaticContact CZ-CE2 2.93Å; Y36-F40 AromaticContact CZ-CZ 3.19Å; Y36-F40 WeakPolarHBondContact O-CD2 3.26Å; Y36-F40 PolarHBondContact O-N 3.18Å; Y36-F40 WeakPolarHBondContact OH-CE2 3Å; Y36-F40 WeakPolarHBondContact OH-CZ 3.33Å |
| 37 | R | 61.2 | Low | 65.5 | Low | 184 Ų | 184 | 107.1 Ų | 107.1 | 69% | 0.694 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -61.8 | -40.5 | 178.6 | -72.8 | -173.2 | 177.6 | -167.9 | 1.4 | 112.9 | L39 F40 I41 | R37-L39 VanDerWaalsContact C-N 3.34Å; R37-F40 PolarHBondContact O-N 3.36Å; R37-I41 WeakPolarHBondContact O-CD1 3.39Å; R37-I41 VanDerWaalsContact O-CG1 3.26Å; R37-I41 WeakPolarHBondContact O-CG1 3.3Å; R37-I41 PolarHBondContact O-N 3.01Å |
| 38 | S | 63.2 | Low | 67.8 | Low | 83 Ų | 83 | 103.9 Ų | 103.9 | 58% | 0.58 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -64.9 | -38.6 | 176.6 | -172.3 | 0 | 0 | 0 | 0 | 112.2 | P34 T35 Y36 G42 | P34-S38 PolarHBondContact O-N 3.49Å; T35-S38 PolarHBondContact O-N 3.36Å; Y36-S38 VanDerWaalsContact C-N 3.35Å; Y36-S38 PolarHBondContact O-N 3.06Å; S38-G42 PolarHBondContact O-N 2.98Å |
| 39 | L | 69.4 | Low | 70.3 | Confident | 109 Ų | 109 | 103.7 Ų | 103.7 | 57% | 0.571 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -67.3 | -40.1 | 176.3 | -72.8 | 166.8 | 0 | 0 | 0 | 111.5 | T35 Y36 R37 G42 T43 | T35-L39 HydrophobicContact CG2-CD1 4.07Å; T35-L39 VanDerWaalsContact O-CG 3.3Å; T35-L39 WeakPolarHBondContact O-CG 3.48Å; T35-L39 PolarHBondContact O-N 3.45Å; Y36-L39 PolarHBondContact O-N 3.02Å; R37-L39 VanDerWaalsContact C-N 3.34Å; L39-G42 PolarHBondContact O-N 3.35Å; L39-T43 WeakPolarHBondContact O-CG2 3.4Å; L39-T43 PolarHBondContact O-N 3.14Å; L39-T43 PolarHBondContact O-OG1 2.95Å |
| 40 | F | 73.2 | Confident | 72.3 | Confident | 95 Ų | 95 | 103 Ų | 103 | 42% | 0.417 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -66.7 | -40 | 177.2 | -88.6 | -102.6 | 0 | 0 | 0 | 113.1 | Y36 R37 G42 T43 L44 | Y36-F40 AromaticContact CD1-CD2 3.62Å; Y36-F40 HydrophobicContact CD1-CD2 3.62Å; Y36-F40 AromaticContact CD1-CE2 3.66Å; Y36-F40 HydrophobicContact CD1-CE2 3.66Å; Y36-F40 HydrophobicContact CD1-CG 4.44Å; Y36-F40 HydrophobicContact CD1-CZ 4.46Å; Y36-F40 HydrophobicContact CD2-CD2 4.15Å; Y36-F40 AromaticContact CD2-CE2 3.67Å; Y36-F40 HydrophobicContact CD2-CE2 3.67Å; Y36-F40 AromaticContact CE1-CD2 3.53Å; Y36-F40 HydrophobicContact CE1-CD2 3.53Å; Y36-F40 HydrophobicContact CE1-CE1 4.25Å; Y36-F40 AromaticContact CE1-CE2 3.17Å; Y36-F40 HydrophobicContact CE1-CE2 3.17Å; Y36-F40 HydrophobicContact CE1-CG 4.24Å; Y36-F40 AromaticContact CE1-CZ 3.56Å; Y36-F40 HydrophobicContact CE1-CZ 3.56Å; Y36-F40 HydrophobicContact CE2-CD2 4.08Å; Y36-F40 AromaticContact CE2-CE2 3.2Å; Y36-F40 HydrophobicContact CE2-CE2 3.2Å; Y36-F40 AromaticContact CE2-CZ 3.82Å; Y36-F40 HydrophobicContact CE2-CZ 3.82Å; Y36-F40 AromaticContact CG-CD2 3.96Å; Y36-F40 HydrophobicContact CG-CD2 3.96Å; Y36-F40 AromaticContact CG-CE2 3.91Å; Y36-F40 HydrophobicContact CG-CE2 3.91Å; Y36-F40 AromaticContact CZ-CD2 3.79Å; Y36-F40 AromaticContact CZ-CE2 2.93Å; Y36-F40 AromaticContact CZ-CZ 3.19Å; Y36-F40 WeakPolarHBondContact O-CD2 3.26Å; Y36-F40 PolarHBondContact O-N 3.18Å; Y36-F40 WeakPolarHBondContact OH-CE2 3Å; Y36-F40 WeakPolarHBondContact OH-CZ 3.33Å; R37-F40 PolarHBondContact O-N 3.36Å; F40-G42 VanDerWaalsContact C-N 3.34Å; F40-T43 WeakPolarHBondContact CA-OG1 3.23Å; F40-T43 PolarHBondContact O-OG1 2.99Å; F40-L44 WeakPolarHBondContact O-CB 3.43Å; F40-L44 VanDerWaalsContact O-CG 3.23Å; F40-L44 WeakPolarHBondContact O-CG 3.19Å; F40-L44 PolarHBondContact O-N 2.87Å |
| 41 | I | 78.7 | Confident | 74.4 | Confident | 118 Ų | 118 | 103.7 Ų | 103.7 | 61% | 0.605 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -67.3 | -41.2 | 175.4 | -65.1 | 164.7 | 0 | 0 | 0 | 110 | R37 L44 A45 | R37-I41 WeakPolarHBondContact O-CD1 3.39Å; R37-I41 VanDerWaalsContact O-CG1 3.26Å; R37-I41 WeakPolarHBondContact O-CG1 3.3Å; R37-I41 PolarHBondContact O-N 3.01Å; I41-L44 PolarHBondContact O-N 3Å; I41-A45 WeakPolarHBondContact O-CB 3.15Å; I41-A45 PolarHBondContact O-N 3.35Å |
| 42 | G | 81.5 | Confident | 76.4 | Confident | 35 Ų | 35 | 103.9 Ų | 103.9 | 36% | 0.361 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -61.1 | -45.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | S38 L39 F40 A45 V46 | S38-G42 PolarHBondContact O-N 2.98Å; L39-G42 PolarHBondContact O-N 3.35Å; F40-G42 VanDerWaalsContact C-N 3.34Å; G42-A45 PolarHBondContact O-N 2.97Å; G42-V46 WeakPolarHBondContact O-CG2 3.32Å; G42-V46 PolarHBondContact O-N 3.45Å |
| 43 | T | 83.1 | Confident | 78.2 | Confident | 77 Ų | 77 | 101.8 Ų | 101.8 | 47% | 0.472 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -66.7 | -41.1 | 178.4 | 53.7 | 0 | 0 | 0 | 0 | 111.9 | L39 F40 A45 V46 M47 | L39-T43 WeakPolarHBondContact O-CG2 3.4Å; L39-T43 PolarHBondContact O-N 3.14Å; L39-T43 PolarHBondContact O-OG1 2.95Å; F40-T43 WeakPolarHBondContact CA-OG1 3.23Å; F40-T43 PolarHBondContact O-OG1 2.99Å; T43-A45 VanDerWaalsContact C-N 3.33Å; T43-A45 PolarHBondContact O-N 3.34Å; T43-V46 PolarHBondContact O-N 3.45Å; T43-M47 WeakPolarHBondContact O-CB 3.32Å; T43-M47 WeakPolarHBondContact O-CG 3.37Å; T43-M47 PolarHBondContact O-N 2.95Å |
| 44 | L | 87.3 | Confident | 79.8 | Confident | 123 Ų | 123 | 97.6 Ų | 97.6 | 64% | 0.644 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -62.7 | -39.6 | 175.4 | -72.9 | 170.8 | 0 | 0 | 0 | 112.2 | F40 I41 G48 | F40-L44 WeakPolarHBondContact O-CB 3.43Å; F40-L44 VanDerWaalsContact O-CG 3.23Å; F40-L44 WeakPolarHBondContact O-CG 3.19Å; F40-L44 PolarHBondContact O-N 2.87Å; I41-L44 PolarHBondContact O-N 3Å; L44-G48 PolarHBondContact O-N 2.9Å |
| 45 | A | 88.7 | Confident | 81.6 | Confident | 53 Ų | 53 | 96.2 Ų | 96.2 | 44% | 0.438 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.7 | -45.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | I41 G42 T43 G48 I49 | I41-A45 WeakPolarHBondContact O-CB 3.15Å; I41-A45 PolarHBondContact O-N 3.35Å; G42-A45 PolarHBondContact O-N 2.97Å; T43-A45 VanDerWaalsContact C-N 3.33Å; T43-A45 PolarHBondContact O-N 3.34Å; A45-G48 PolarHBondContact O-N 3.3Å; A45-I49 VanDerWaalsContact O-CG1 3.31Å; A45-I49 WeakPolarHBondContact O-CG1 3.4Å; A45-I49 PolarHBondContact O-N 2.96Å |
| 46 | V | 90.6 | Very high | 83.2 | Confident | 95 Ų | 95 | 95.4 Ų | 95.4 | 58% | 0.576 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.3 | -44.5 | 177.6 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | G42 T43 G48 I49 L50 | G42-V46 WeakPolarHBondContact O-CG2 3.32Å; G42-V46 PolarHBondContact O-N 3.45Å; T43-V46 PolarHBondContact O-N 3.45Å; V46-G48 VanDerWaalsContact C-N 3.33Å; V46-G48 PolarHBondContact O-N 3.31Å; V46-I49 PolarHBondContact O-N 3.44Å; V46-L50 WeakPolarHBondContact O-CB 3.31Å; V46-L50 PolarHBondContact O-N 3.45Å |
| 47 | M | 90.1 | Very high | 84.7 | Confident | 125 Ų | 125 | 90 Ų | 90 | 62% | 0.616 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61 | -42.1 | 176.4 | -70.3 | -69.1 | -69.3 | 0 | 0 | 111.4 | T43 L50 Q51 | T43-M47 WeakPolarHBondContact O-CB 3.32Å; T43-M47 WeakPolarHBondContact O-CG 3.37Å; T43-M47 PolarHBondContact O-N 2.95Å; M47-L50 PolarHBondContact O-N 3.33Å; M47-Q51 WeakPolarHBondContact O-CB 3.33Å; M47-Q51 PolarHBondContact O-N 3.4Å |
| 48 | G | 91.2 | Very high | 85.9 | Confident | 37 Ų | 37 | 85.6 Ų | 85.6 | 38% | 0.381 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.6 | -45.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L44 A45 V46 Q51 V52 | L44-G48 PolarHBondContact O-N 2.9Å; A45-G48 PolarHBondContact O-N 3.3Å; V46-G48 VanDerWaalsContact C-N 3.33Å; V46-G48 PolarHBondContact O-N 3.31Å; G48-Q51 PolarHBondContact O-N 3.07Å; G48-V52 WeakPolarHBondContact O-CG2 3.41Å; G48-V52 PolarHBondContact O-N 2.95Å |
| 49 | I | 91.5 | Very high | 86.9 | Confident | 124 Ų | 124 | 86.6 Ų | 86.6 | 64% | 0.636 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.7 | -44.3 | 177.5 | -67.2 | 165.7 | 0 | 0 | 0 | 110.7 | A45 V46 Q51 V52 A53 | A45-I49 VanDerWaalsContact O-CG1 3.31Å; A45-I49 WeakPolarHBondContact O-CG1 3.4Å; A45-I49 PolarHBondContact O-N 2.96Å; V46-I49 PolarHBondContact O-N 3.44Å; I49-Q51 VanDerWaalsContact C-N 3.33Å; I49-Q51 PolarHBondContact O-N 2.91Å; I49-V52 PolarHBondContact O-N 3.45Å; I49-A53 WeakPolarHBondContact O-CB 3.36Å; I49-A53 PolarHBondContact O-N 2.91Å |
| 50 | L | 91.7 | Very high | 87.5 | Confident | 115 Ų | 115 | 84.2 Ų | 84.2 | 60% | 0.602 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.7 | -39.7 | 179.6 | -167.3 | 70.2 | 0 | 0 | 0 | 111.7 | V46 M47 A53 S54 | V46-L50 WeakPolarHBondContact O-CB 3.31Å; V46-L50 PolarHBondContact O-N 3.45Å; M47-L50 PolarHBondContact O-N 3.33Å; L50-A53 PolarHBondContact O-N 2.96Å; L50-S54 VanDerWaalsContact O-CB 3.3Å; L50-S54 WeakPolarHBondContact O-CB 3.37Å; L50-S54 PolarHBondContact O-N 3.11Å |
| 51 | Q | 92.9 | Very high | 87.7 | Confident | 132 Ų | 132 | 85.5 Ų | 85.5 | 62% | 0.617 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.1 | -44.4 | 176.5 | -168.7 | 77.7 | -0.3 | 0 | 0 | 111.8 | M47 G48 I49 S55 | M47-Q51 WeakPolarHBondContact O-CB 3.33Å; M47-Q51 PolarHBondContact O-N 3.4Å; G48-Q51 PolarHBondContact O-N 3.07Å; I49-Q51 VanDerWaalsContact C-N 3.33Å; I49-Q51 PolarHBondContact O-N 2.91Å; Q51-S55 WeakPolarHBondContact O-CB 3.37Å; Q51-S55 PolarHBondContact O-N 2.77Å; Q51-S55 PolarHBondContact O-OG 3.43Å |
| 52 | V | 93 | Very high | 87.6 | Confident | 94 Ų | 94 | 86.6 Ų | 86.6 | 57% | 0.57 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.4 | -46.1 | 177.5 | 173.7 | 0 | 0 | 0 | 0 | 110.4 | G48 I49 S54 S55 V56 | G48-V52 WeakPolarHBondContact O-CG2 3.41Å; G48-V52 PolarHBondContact O-N 2.95Å; I49-V52 PolarHBondContact O-N 3.45Å; V52-S54 PolarHBondContact O-N 3.49Å; V52-S55 PolarHBondContact O-N 3.22Å; V52-V56 HydrophobicContact CG1-CG2 4.39Å; V52-V56 VanDerWaalsContact O-CG2 3.3Å; V52-V56 WeakPolarHBondContact O-CG2 3.32Å; V52-V56 PolarHBondContact O-N 2.94Å |
| 53 | A | 91.1 | Very high | 87.6 | Confident | 56 Ų | 56 | 89 Ų | 89 | 46% | 0.463 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.8 | -44.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | I49 L50 V56 A57 | I49-A53 WeakPolarHBondContact O-CB 3.36Å; I49-A53 PolarHBondContact O-N 2.91Å; L50-A53 PolarHBondContact O-N 2.96Å; A53-V56 PolarHBondContact O-N 3.43Å; A53-A57 WeakPolarHBondContact O-CB 3.44Å; A53-A57 PolarHBondContact O-N 2.91Å |
| 54 | S | 91.8 | Very high | 87 | Confident | 59 Ų | 59 | 88.1 Ų | 88.1 | 41% | 0.413 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.6 | -45.1 | 176.1 | -178.2 | 0 | 0 | 0 | 0 | 112 | L50 V52 V56 A57 I58 | L50-S54 VanDerWaalsContact O-CB 3.3Å; L50-S54 WeakPolarHBondContact O-CB 3.37Å; L50-S54 PolarHBondContact O-N 3.11Å; V52-S54 PolarHBondContact O-N 3.49Å; S54-V56 VanDerWaalsContact C-N 3.34Å; S54-V56 PolarHBondContact O-N 3.28Å; S54-A57 PolarHBondContact O-N 3.44Å; S54-I58 WeakPolarHBondContact O-CB 3.3Å; S54-I58 VanDerWaalsContact O-CG1 3.26Å; S54-I58 WeakPolarHBondContact O-CG1 3.34Å; S54-I58 PolarHBondContact O-N 2.89Å |
| 55 | S | 91.2 | Very high | 86 | Confident | 65 Ų | 65 | 91.3 Ų | 91.3 | 46% | 0.455 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.1 | -41.5 | 178.9 | -56.8 | 0 | 0 | 0 | 0 | 111.9 | Q51 V52 L59 | Q51-S55 WeakPolarHBondContact O-CB 3.37Å; Q51-S55 PolarHBondContact O-N 2.77Å; Q51-S55 PolarHBondContact O-OG 3.43Å; V52-S55 PolarHBondContact O-N 3.22Å; S55-L59 WeakPolarHBondContact O-CB 3.49Å; S55-L59 PolarHBondContact O-N 3.44Å |
| 56 | V | 90.7 | Very high | 84.4 | Confident | 74 Ų | 74 | 92.9 Ų | 92.9 | 45% | 0.448 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.9 | -42.9 | 175.7 | 173.1 | 0 | 0 | 0 | 0 | 110.7 | V52 A53 S54 I58 L59 L60 | V52-V56 HydrophobicContact CG1-CG2 4.39Å; V52-V56 VanDerWaalsContact O-CG2 3.3Å; V52-V56 WeakPolarHBondContact O-CG2 3.32Å; V52-V56 PolarHBondContact O-N 2.94Å; A53-V56 PolarHBondContact O-N 3.43Å; S54-V56 VanDerWaalsContact C-N 3.34Å; S54-V56 PolarHBondContact O-N 3.28Å; V56-I58 PolarHBondContact O-N 2.92Å; V56-L59 PolarHBondContact O-N 3.15Å; V56-L60 HydrophobicContact CG1-CD1 3.83Å; V56-L60 HydrophobicContact CG1-CG 4.25Å; V56-L60 WeakPolarHBondContact O-CB 3.24Å; V56-L60 VanDerWaalsContact O-CG 3.22Å; V56-L60 WeakPolarHBondContact O-CG 3.31Å; V56-L60 PolarHBondContact O-N 3.24Å |
| 57 | A | 86.8 | Confident | 82.7 | Confident | 37 Ų | 37 | 96.7 Ų | 96.7 | 31% | 0.306 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62 | -43.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | A53 S54 L60 H61 | A53-A57 WeakPolarHBondContact O-CB 3.44Å; A53-A57 PolarHBondContact O-N 2.91Å; S54-A57 PolarHBondContact O-N 3.44Å; A57-L60 PolarHBondContact O-N 3.1Å; A57-H61 PolarHBondContact O-N 3.06Å; A57-H61 PolarHBondContact O-ND1 2.89Å |
| 58 | I | 86.6 | Confident | 80.8 | Confident | 91 Ų | 91 | 98.8 Ų | 98.8 | 47% | 0.467 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.8 | -44.5 | 175.4 | -67.7 | 164.8 | 0 | 0 | 0 | 110.3 | S54 V56 L60 H61 L62 | S54-I58 WeakPolarHBondContact O-CB 3.3Å; S54-I58 VanDerWaalsContact O-CG1 3.26Å; S54-I58 WeakPolarHBondContact O-CG1 3.34Å; S54-I58 PolarHBondContact O-N 2.89Å; V56-I58 PolarHBondContact O-N 2.92Å; I58-L60 VanDerWaalsContact C-N 3.33Å; I58-L60 PolarHBondContact O-N 3.26Å; I58-H61 PolarHBondContact O-N 2.82Å; I58-L62 HydrophobicContact CG2-CD1 3.67Å; I58-L62 HydrophobicContact CG2-CG 4.19Å; I58-L62 WeakPolarHBondContact O-CB 3.3Å; I58-L62 VanDerWaalsContact O-CG 3.28Å; I58-L62 WeakPolarHBondContact O-CG 3.26Å; I58-L62 PolarHBondContact O-N 2.72Å |
| 59 | L | 83.5 | Confident | 78.6 | Confident | 105 Ų | 105 | 103.4 Ų | 103.4 | 55% | 0.55 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -59.6 | -46 | 176.9 | -172.1 | 68.7 | 0 | 0 | 0 | 110.6 | S55 V56 H61 L62 T63 | S55-L59 WeakPolarHBondContact O-CB 3.49Å; S55-L59 PolarHBondContact O-N 3.44Å; V56-L59 PolarHBondContact O-N 3.15Å; L59-H61 VanDerWaalsContact C-N 3.35Å; L59-H61 PolarHBondContact O-N 3.46Å; L59-L62 PolarHBondContact O-N 2.92Å; L59-T63 HydrophobicContact CD1-CG2 4.19Å; L59-T63 HydrophobicContact CG-CG2 4.29Å; L59-T63 WeakPolarHBondContact O-CB 3.34Å; L59-T63 VanDerWaalsContact O-CG2 3.28Å; L59-T63 WeakPolarHBondContact O-CG2 3.42Å; L59-T63 PolarHBondContact O-N 2.88Å; L59-T63 PolarHBondContact O-OG1 3.01Å |
| 60 | L | 81.9 | Confident | 75.9 | Confident | 58 Ų | 58 | 104.7 Ų | 104.7 | 30% | 0.304 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64.4 | -35.6 | 177.8 | -68.9 | 170.2 | 0 | 0 | 0 | 112.7 | V56 A57 I58 G64 Y65 L66 | V56-L60 HydrophobicContact CG1-CD1 3.83Å; V56-L60 HydrophobicContact CG1-CG 4.25Å; V56-L60 WeakPolarHBondContact O-CB 3.24Å; V56-L60 VanDerWaalsContact O-CG 3.22Å; V56-L60 WeakPolarHBondContact O-CG 3.31Å; V56-L60 PolarHBondContact O-N 3.24Å; A57-L60 PolarHBondContact O-N 3.1Å; I58-L60 VanDerWaalsContact C-N 3.33Å; I58-L60 PolarHBondContact O-N 3.26Å; L60-G64 PolarHBondContact O-N 3.35Å; L60-Y65 HydrophobicContact CD2-CD1 4.38Å; L60-Y65 HydrophobicContact CD2-CG 4.16Å; L60-Y65 PolarHBondContact O-N 2.88Å; L60-L66 HydrophobicContact CB-CD1 3.78Å; L60-L66 HydrophobicContact CB-CG 3.94Å; L60-L66 HydrophobicContact CD1-CD1 4.21Å; L60-L66 HydrophobicContact CD1-CG 4.45Å; L60-L66 PolarHBondContact O-N 2.73Å |
| 61 | H | 78.8 | Confident | 73.4 | Confident | 122 Ų | 122 | 106.4 Ų | 106.4 | 57% | 0.565 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -67.2 | -46.2 | 172.5 | -81.2 | 76.9 | 0 | 0 | 0 | 111.5 | A57 I58 L59 T63 G64 L66 | A57-H61 PolarHBondContact O-N 3.06Å; A57-H61 PolarHBondContact O-ND1 2.89Å; I58-H61 PolarHBondContact O-N 2.82Å; L59-H61 VanDerWaalsContact C-N 3.35Å; L59-H61 PolarHBondContact O-N 3.46Å; H61-T63 VanDerWaalsContact C-N 3.34Å; H61-T63 PolarHBondContact O-N 2.89Å; H61-G64 PolarHBondContact O-N 2.81Å; H61-G64 VanDerWaalsContact O-N 3.15Å; H61-L66 VanDerWaalsContact CE1-CD1 3.49Å; H61-L66 WeakPolarHBondContact CE1-CD1 3.27Å |
| 62 | L | 76.1 | Confident | 70.5 | Confident | 141 Ų | 141 | 105.6 Ų | 105.6 | 74% | 0.738 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -68.3 | -33.1 | -179.5 | -69.8 | 173.2 | 0 | 0 | 0 | 112.6 | I58 L59 G64 | I58-L62 HydrophobicContact CG2-CD1 3.67Å; I58-L62 HydrophobicContact CG2-CG 4.19Å; I58-L62 WeakPolarHBondContact O-CB 3.3Å; I58-L62 VanDerWaalsContact O-CG 3.28Å; I58-L62 WeakPolarHBondContact O-CG 3.26Å; I58-L62 PolarHBondContact O-N 2.72Å; L59-L62 PolarHBondContact O-N 2.92Å; L62-G64 VanDerWaalsContact C-N 3.26Å |
| 63 | T | 81.3 | Confident | 68.4 | Low | 85 Ų | 85 | 107.2 Ų | 107.2 | 52% | 0.521 | 60% | 0.604 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.6 | 3.3 | 175.3 | 63.6 | 0 | 0 | 0 | 0 | 112.9 | L59 H61 Y65 | L59-T63 HydrophobicContact CD1-CG2 4.19Å; L59-T63 HydrophobicContact CG-CG2 4.29Å; L59-T63 WeakPolarHBondContact O-CB 3.34Å; L59-T63 VanDerWaalsContact O-CG2 3.28Å; L59-T63 WeakPolarHBondContact O-CG2 3.42Å; L59-T63 PolarHBondContact O-N 2.88Å; L59-T63 PolarHBondContact O-OG1 3.01Å; H61-T63 VanDerWaalsContact C-N 3.34Å; H61-T63 PolarHBondContact O-N 2.89Å; T63-Y65 VanDerWaalsContact C-N 3.28Å; T63-Y65 PolarHBondContact O-N 3.34Å |
| 64 | G | 70.8 | Confident | 65.5 | Low | 60 Ų | 60 | 109.8 Ų | 109.8 | 62% | 0.619 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68.5 | 21.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | L60 H61 L62 | L60-G64 PolarHBondContact O-N 3.35Å; H61-G64 PolarHBondContact O-N 2.81Å; H61-G64 VanDerWaalsContact O-N 3.15Å; L62-G64 VanDerWaalsContact C-N 3.26Å |
| 65 | Y | 66.6 | Low | 63.1 | Low | 189 Ų | 189 | 112.2 Ų | 112.2 | 74% | 0.741 | 64% | 0.636 | S | S | * | * | trans | -87.9 | -22.4 | -177 | -130.3 | -86.2 | 0 | 0 | 0 | 113.1 | L60 T63 | L60-Y65 HydrophobicContact CD2-CD1 4.38Å; L60-Y65 HydrophobicContact CD2-CG 4.16Å; L60-Y65 PolarHBondContact O-N 2.88Å; T63-Y65 VanDerWaalsContact C-N 3.28Å; T63-Y65 PolarHBondContact O-N 3.34Å | ||
| 66 | L | 55.4 | Low | 60.2 | Low | 87 Ų | 87 | 120.3 Ų | 120.3 | 46% | 0.455 | 66% | 0.656 | S | S | . | * | trans | -95.9 | 93.6 | 168.2 | -81.8 | 168.4 | 0 | 0 | 0 | 108.9 | L60 H61 | L60-L66 HydrophobicContact CB-CD1 3.78Å; L60-L66 HydrophobicContact CB-CG 3.94Å; L60-L66 HydrophobicContact CD1-CD1 4.21Å; L60-L66 HydrophobicContact CD1-CG 4.45Å; L60-L66 PolarHBondContact O-N 2.73Å; H61-L66 VanDerWaalsContact CE1-CD1 3.49Å; H61-L66 WeakPolarHBondContact CE1-CD1 3.27Å | ||
| 67 | H | 53.8 | Low | 57.6 | Low | 174 Ų | 174 | 122.6 Ų | 122.6 | 81% | 0.806 | 67% | 0.673 | S | S | * | * | trans | -86.8 | 127.9 | 162.4 | -159.7 | 58.4 | 0 | 0 | 0 | 107.5 | V69 | H67-V69 PolarHBondContact O-N 2.84Š| ||
| 68 | E | 50.6 | Low | 54.8 | Low | 169 Ų | 169 | 126.4 Ų | 126.4 | 79% | 0.79 | 70% | 0.697 | S | S | * | * | trans | -48.7 | 127.6 | -179.6 | -87.2 | 169.3 | 145.2 | 0 | 0 | 111.5 | D70 | E68-D70 PolarHBondContact O-N 2.84Š| ||
| 69 | V | 44.6 | Very low | 52.4 | Low | 134 Ų | 134 | 130.1 Ų | 130.1 | 81% | 0.812 | 72% | 0.717 | S | S | * | * | trans | -90.1 | 84.8 | 169.4 | -147.3 | 0 | 0 | 0 | 0 | 106.4 | H67 L71 | H67-V69 PolarHBondContact O-N 2.84Å; V69-L71 PolarHBondContact O-N 3.12Å | ||
| 70 | D | 34.2 | Very low | 50.3 | Low | 152 Ų | 152 | 134.3 Ų | 134.3 | 81% | 0.813 | 73% | 0.734 | S | S | * | * | trans | -82.9 | 111.1 | 178.2 | -133.6 | 0.2 | 0 | 0 | 0 | 109.5 | E68 | E68-D70 PolarHBondContact O-N 2.84Š| ||
| 71 | L | 39.9 | Very low | 47.9 | Very low | 151 Ų | 151 | 140.3 Ų | 140.3 | 79% | 0.791 | 76% | 0.762 | S | S | * | * | trans | -95 | 93.6 | 176.6 | -71 | 170.6 | 0 | 0 | 0 | 109.3 | V69 | V69-L71 PolarHBondContact O-N 3.12Š| ||
| 72 | S | 32.2 | Very low | 45.6 | Very low | 115 Ų | 115 | 142.9 Ų | 142.9 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | 153.9 | 155.4 | 138.8 | -73.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 73 | P | 48.7 | Very low | 43.7 | Very low | 128 Ų | 128 | 141.3 Ų | 141.3 | 83% | 0.831 | 78% | 0.775 | S | S | * | * | trans | -95.1 | 126.8 | -161.8 | 35.2 | -27.7 | 0 | 0 | 0 | 111.8 | ||||
| 74 | S | 30.4 | Very low | 41.7 | Very low | 109 Ų | 109 | 145.2 Ų | 145.2 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | trans | -162.6 | 117.4 | 152.3 | -176.8 | 0 | 0 | 0 | 0 | 110.3 | R76 | S74-R76 PolarHBondContact O-N 3.24Š| ||
| 75 | S | 41.2 | Very low | 40.3 | Very low | 111 Ų | 111 | 147.2 Ų | 147.2 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | -42.3 | 125.6 | 165.4 | 50.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 76 | R | 30.8 | Very low | 39.4 | Very low | 235 Ų | 235 | 144.2 Ų | 144.2 | 89% | 0.887 | 79% | 0.791 | S | S | * | * | trans | -158.1 | 147.6 | 142.4 | -100.6 | 174 | -159.7 | -166 | 2.9 | 109.6 | S74 | S74-R76 PolarHBondContact O-N 3.24Š| ||
| 77 | P | 36.1 | Very low | 39 | Very low | 122 Ų | 122 | 145.4 Ų | 145.4 | 79% | 0.792 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -75 | 130.1 | -170.8 | 24.5 | -18.5 | 0 | 0 | 0 | 110 | L79 | P77-L79 PolarHBondContact O-N 3.3Š|
| 78 | S | 27.5 | Very low | 38.5 | Very low | 116 Ų | 116 | 143.3 Ų | 143.3 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 117.8 | 175.6 | 51 | 0 | 0 | 0 | 0 | 109.7 | E80 | S78-E80 PolarHBondContact O-N 2.91Š|
| 79 | L | 35.6 | Very low | 38.2 | Very low | 170 Ų | 170 | 139.1 Ų | 139.1 | 89% | 0.89 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 127.9 | 166.1 | -143.1 | 81.9 | 0 | 0 | 0 | 108.6 | P77 M81 | P77-L79 PolarHBondContact O-N 3.3Å; L79-M81 PolarHBondContact O-N 3.24Å; L79-M81 VanDerWaalsContact O-N 3.09Å |
| 80 | E | 40.4 | Very low | 38.5 | Very low | 193 Ų | 193 | 141 Ų | 141 | 90% | 0.902 | 79% | 0.79 | S | S | * | * | trans | -52.9 | 112.7 | 169.4 | -74.9 | 168.9 | 130.1 | 0 | 0 | 109.4 | S78 | S78-E80 PolarHBondContact O-N 2.91Š| ||
| 81 | M | 30.3 | Very low | 39 | Very low | 183 Ų | 183 | 141.1 Ų | 141.1 | 90% | 0.901 | 78% | 0.784 | S | S | * | * | trans | -92.4 | 96.1 | 162.3 | -170.4 | 167.1 | -177.4 | 0 | 0 | 106.6 | L79 S83 | L79-M81 PolarHBondContact O-N 3.24Å; L79-M81 VanDerWaalsContact O-N 3.09Å; M81-S83 PolarHBondContact O-N 2.92Å | ||
| 82 | E | 32.3 | Very low | 39.7 | Very low | 177 Ų | 177 | 138.9 Ų | 138.9 | 83% | 0.827 | 77% | 0.772 | S | S | * | * | trans | -53 | 106.5 | 170.7 | -160.7 | -176.1 | 164.3 | 0 | 0 | 108.9 | E84 | E82-E84 PolarHBondContact O-N 3.24Š| ||
| 83 | S | 35.9 | Very low | 40.6 | Very low | 107 Ų | 107 | 139 Ų | 139 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | trans | -77.9 | 99.3 | 173.2 | 55.6 | 0 | 0 | 0 | 0 | 108.3 | M81 | M81-S83 PolarHBondContact O-N 2.92Š| ||
| 84 | E | 38.3 | Very low | 40.8 | Very low | 168 Ų | 168 | 143.8 Ų | 143.8 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | trans | -56.2 | 132 | 165.5 | -80.6 | -156.9 | 155 | 0 | 0 | 109.5 | E82 V86 | E82-E84 PolarHBondContact O-N 3.24Å; E84-V86 PolarHBondContact O-N 3.45Å | ||
| 85 | P | 41 | Very low | 41.8 | Very low | 101 Ų | 101 | 146.5 Ų | 146.5 | 66% | 0.656 | 77% | 0.77 | S | S | * | * | trans | -72.8 | 118.6 | 178.6 | 29.8 | -32.1 | 0 | 0 | 0 | 108.7 | V87 | P85-V87 HydrophobicContact CB-CG1 4.23Å; P85-V87 PolarHBondContact O-N 3.44Å | ||
| 86 | V | 48 | Very low | 42.1 | Very low | 126 Ų | 126 | 151.2 Ų | 151.2 | 76% | 0.764 | 78% | 0.777 | S | S | * | * | trans | -69.4 | 75.5 | 171.5 | -177.3 | 0 | 0 | 0 | 0 | 109.3 | E84 H88 A89 | E84-V86 PolarHBondContact O-N 3.45Å; V86-H88 VanDerWaalsContact C-N 3.27Å; V86-A89 HydrophobicContact CG1-CB 4.03Å | ||
| 87 | V | 48.1 | Very low | 43.1 | Very low | 113 Ų | 113 | 143.6 Ų | 143.6 | 69% | 0.685 | 76% | 0.759 | S | S | * | * | trans | -87.1 | 7.7 | 175.5 | -74.6 | 0 | 0 | 0 | 0 | 112.9 | P85 | P85-V87 HydrophobicContact CB-CG1 4.23Å; P85-V87 PolarHBondContact O-N 3.44Å | ||
| 88 | H | 43.1 | Very low | 43.5 | Very low | 130 Ų | 130 | 148 Ų | 148 | 60% | 0.602 | 76% | 0.76 | S | S | * | * | trans | -114.7 | -1.1 | -170.9 | -88.2 | -87.1 | 0 | 0 | 0 | 116.6 | V86 L90 K91 | V86-H88 VanDerWaalsContact C-N 3.27Å; H88-L90 VanDerWaalsContact C-N 3.31Å; H88-L90 PolarHBondContact O-N 3.37Å; H88-K91 PolarHBondContact CE1-NZ 2.85Å | ||
| 89 | A | 44.6 | Very low | 44.5 | Very low | 80 Ų | 80 | 148 Ų | 148 | 66% | 0.661 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | -2.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | V86 | V86-A89 HydrophobicContact CG1-CB 4.03Š|
| 90 | L | 50.4 | Low | 44.8 | Very low | 173 Ų | 173 | 147.7 Ų | 147.7 | 91% | 0.906 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.5 | 46.7 | -179.3 | -65.6 | 175.4 | 0 | 0 | 0 | 112.9 | H88 | H88-L90 VanDerWaalsContact C-N 3.31Å; H88-L90 PolarHBondContact O-N 3.37Å |
| 91 | K | 45.2 | Very low | 45 | Very low | 156 Ų | 156 | 145.8 Ų | 145.8 | 68% | 0.678 | 75% | 0.746 | S | S | * | * | trans | -103.2 | 98.1 | 166.9 | -81.1 | -176.7 | 179.3 | 177.1 | 0 | 110.3 | H88 P93 | H88-K91 PolarHBondContact CE1-NZ 2.85Å; K91-P93 WeakPolarHBondContact O-CD 3.35Å | ||
| 92 | D | 53.1 | Low | 45.7 | Very low | 103 Ų | 103 | 141.4 Ų | 141.4 | 55% | 0.551 | 73% | 0.731 | S | S | * | * | trans | -69.3 | 117.4 | 162.1 | 177.3 | -1.6 | 0 | 0 | 0 | 108.8 | R94 | D92-R94 PolarHBondContact O-N 3.28Å; D92-R94 VanDerWaalsContact O-N 3.11Å; D92-R94 WeakPolarHBondContact OD1-CB 3.45Å; D92-R94 PolarHBondContact OD1-N 2.86Å | ||
| 93 | P | 51.6 | Low | 46.5 | Very low | 119 Ų | 119 | 142.2 Ų | 142.2 | 77% | 0.773 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | -6.3 | -178.8 | 26.6 | -32.7 | 0 | 0 | 0 | 114.1 | K91 | K91-P93 WeakPolarHBondContact O-CD 3.35Š|
| 94 | R | 54 | Low | 47.1 | Very low | 227 Ų | 227 | 144.2 Ų | 144.2 | 86% | 0.857 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | -8 | -176.5 | -64.4 | -173.5 | -176.1 | -174.8 | 2.7 | 115.4 | D92 K96 | D92-R94 PolarHBondContact O-N 3.28Å; D92-R94 VanDerWaalsContact O-N 3.11Å; D92-R94 WeakPolarHBondContact OD1-CB 3.45Å; D92-R94 PolarHBondContact OD1-N 2.86Å; R94-K96 PolarHBondContact O-N 2.88Å |
| 95 | K | 50.1 | Low | 48 | Very low | 166 Ų | 166 | 139.1 Ų | 139.1 | 72% | 0.722 | 72% | 0.721 | S | S | * | * | trans | -101.3 | 78.1 | 175.7 | -104.7 | -178.2 | 176.6 | 177.4 | 0 | 112 | S97 | K95-S97 PolarHBondContact O-N 3.49Å; K95-S97 VanDerWaalsContact O-N 3.15Å | ||
| 96 | K | 47.7 | Very low | 49.7 | Very low | 210 Ų | 210 | 137.4 Ų | 137.4 | 91% | 0.913 | 71% | 0.709 | S | S | * | * | trans | -75.7 | 26.9 | 161.3 | -78.7 | -172.4 | 179.3 | 178 | 0 | 112.9 | R94 R98 | R94-K96 PolarHBondContact O-N 2.88Å; K96-R98 PolarHBondContact O-N 2.81Å | ||
| 97 | S | 51.8 | Low | 51.7 | Low | 75 Ų | 75 | 134.8 Ų | 134.8 | 52% | 0.524 | 69% | 0.693 | S | S | . | * | trans | -83.6 | 98.2 | 161.1 | 74.3 | 0 | 0 | 0 | 0 | 106.8 | K95 C99 | K95-S97 PolarHBondContact O-N 3.49Å; K95-S97 VanDerWaalsContact O-N 3.15Å; S97-C99 VanDerWaalsContact C-N 3.35Å; S97-C99 PolarHBondContact O-N 3.47Å | ||
| 98 | R | 44.7 | Very low | 54 | Low | 214 Ų | 214 | 129.6 Ų | 129.6 | 81% | 0.808 | 66% | 0.662 | S | S | * | * | trans | -42.1 | 102.5 | 164 | -167.9 | 177.4 | -171.1 | 179.4 | 2.4 | 107.3 | K96 K100 | K96-R98 PolarHBondContact O-N 2.81Å; R98-K100 HydrophobicContact CG-CG 4.31Å; R98-K100 PolarHBondContact O-N 2.81Å | ||
| 99 | C | 47.7 | Very low | 56.6 | Low | 118 Ų | 118 | 124.8 Ų | 124.8 | 80% | 0.797 | 64% | 0.643 | S | S | * | * | trans | -64.4 | 84.9 | 164.2 | -73.7 | 0 | 0 | 0 | 0 | 104.9 | S97 L101 | S97-C99 VanDerWaalsContact C-N 3.35Å; S97-C99 PolarHBondContact O-N 3.47Å; C99-L101 PolarHBondContact O-N 3.27Å | ||
| 100 | K | 43.2 | Very low | 59.2 | Low | 162 Ų | 162 | 121.1 Ų | 121.1 | 70% | 0.704 | 61% | 0.613 | S | S | * | * | trans | -59.4 | 104.6 | 156.3 | -67 | -175.3 | -179.5 | -178.5 | 0 | 102.9 | R98 P102 | R98-K100 HydrophobicContact CG-CG 4.31Å; R98-K100 PolarHBondContact O-N 2.81Å; K100-P102 WeakPolarHBondContact O-CD 3.34Å | ||
| 101 | L | 45 | Very low | 61.4 | Low | 153 Ų | 153 | 116.1 Ų | 116.1 | 80% | 0.801 | 58% | 0.584 | S | S | * | * | trans | -53.7 | 111.6 | 160.3 | -147.9 | 83.5 | 0 | 0 | 0 | 104.1 | C99 K103 | C99-L101 PolarHBondContact O-N 3.27Å; L101-K103 PolarHBondContact O-N 3.34Å | ||
| 102 | P | 44.9 | Very low | 64 | Low | 91 Ų | 91 | 108.7 Ų | 108.7 | 59% | 0.591 | 55% | 0.552 | S | S | * | * | trans | -63.9 | 112.8 | 174.3 | -11.9 | 27.7 | 0 | 0 | 0 | 104.4 | K100 D104 A105 | K100-P102 WeakPolarHBondContact O-CD 3.34Å; P102-D104 PolarHBondContact O-N 2.97Å; P102-A105 HydrophobicContact CB-CB 3.97Å; P102-A105 HydrophobicContact CG-CB 4.29Å; P102-A105 PolarHBondContact O-N 2.81Å | ||
| 103 | K | 48.1 | Very low | 66.1 | Low | 195 Ų | 195 | 104.5 Ų | 104.5 | 85% | 0.848 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | 2.9 | -177.6 | -120.8 | 177.1 | 176.1 | -175.2 | 0 | 113.2 | L101 | L101-K103 PolarHBondContact O-N 3.34Š|
| 104 | D | 49 | Very low | 68.3 | Low | 148 Ų | 148 | 99.1 Ų | 99.1 | 79% | 0.791 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -142.5 | 15 | -176.7 | -69.4 | -52.7 | 0 | 0 | 0 | 115.1 | P102 T106 | P102-D104 PolarHBondContact O-N 2.97Å; D104-T106 VanDerWaalsContact C-N 3.34Å; D104-T106 PolarHBondContact O-N 3.46Å |
| 105 | A | 56.6 | Low | 70.3 | Confident | 62 Ų | 62 | 92.3 Ų | 92.3 | 51% | 0.512 | 47% | 0.47 | S | S | . | . | trans | -101.4 | 56.9 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | P102 T107 | P102-A105 HydrophobicContact CB-CB 3.97Å; P102-A105 HydrophobicContact CG-CB 4.29Å; P102-A105 PolarHBondContact O-N 2.81Å; A105-T107 PolarHBondContact O-N 3.29Å | ||
| 106 | T | 76.6 | Confident | 72.3 | Confident | 65 Ų | 65 | 87.1 Ų | 87.1 | 40% | 0.399 | 46% | 0.457 | S | S | . | . | trans | -68 | 109 | -170.7 | -36.3 | 0 | 0 | 0 | 0 | 109.3 | D104 H140 K141 | D104-T106 VanDerWaalsContact C-N 3.34Å; D104-T106 PolarHBondContact O-N 3.46Å; T106-H140 WeakPolarHBondContact CB-NE2 3.43Å; T106-H140 WeakPolarHBondContact CG2-CD2 3.45Å; T106-H140 VanDerWaalsContact CG2-CE1 3.44Å; T106-H140 WeakPolarHBondContact CG2-CE1 3.5Å; T106-H140 WeakPolarHBondContact CG2-NE2 3.07Å; T106-H140 PolarHBondContact O-NE2 3.17Å; T106-K141 WeakPolarHBondContact O-CD 3.47Å; T106-K141 WeakPolarHBondContact O-CE 3.27Å; T106-K141 PolarHBondContact O-NZ 3.5Å | ||
| 107 | T | 90.8 | Very high | 74.3 | Confident | 71 Ų | 71 | 82 Ų | 82 | 44% | 0.436 | 45% | 0.446 | S | S | . | . | trans | -68.1 | 135.4 | -176.5 | -55 | 0 | 0 | 0 | 0 | 110.3 | A105 S109 K265 | A105-T107 PolarHBondContact O-N 3.29Å; T107-S109 PolarHBondContact O-N 3.07Å; T107-S109 PolarHBondContact O-OG 3.29Å; T107-K265 HydrophobicContact CG2-CB 3.72Å; T107-K265 HydrophobicContact CG2-CG 4.41Å; T107-K265 WeakPolarHBondContact CG2-O 3.24Å | ||
| 108 | P | 96.8 | Very high | 76.2 | Confident | 4 Ų | 4 | 79.9 Ų | 79.9 | 3% | 0.026 | 43% | 0.427 | C | S | . | . | trans | -50.2 | 125.6 | 174.5 | -27.5 | 33 | 0 | 0 | 0 | 111.8 | H140 K141 M142 E153 Y157 K265 | P108-H140 CarbonylContact C-O 3.48Å; P108-H140 WeakPolarHBondContact CA-O 3.05Å; P108-K141 HydrophobicContact CB-CB 4.09Å; P108-K141 HydrophobicContact CG-CB 4.02Å; P108-K141 HydrophobicContact CG-CD 4.29Å; P108-M142 HydrophobicContact CB-CG 4.21Å; P108-E153 HydrophobicContact CG-CB 4.1Å; P108-E153 VanDerWaalsContact CG-CD 3.48Å; P108-E153 HydrophobicContact CG-CG 4.09Å; P108-E153 VanDerWaalsContact CG-OE2 3.3Å; P108-E153 WeakPolarHBondContact CG-OE2 3.34Å; P108-Y157 HydrophobicContact CB-CE1 4.13Å; P108-K265 HydrophobicContact CB-CB 4.03Å; P108-K265 HydrophobicContact CB-CD 4.42Å; P108-K265 HydrophobicContact CG-CB 4.22Å; P108-K265 HydrophobicContact CG-CD 3.82Å; P108-K265 PolarHBondContact O-N 2.97Å | ||
| 109 | S | 97.1 | Very high | 78.3 | Confident | 29 Ų | 29 | 77.5 Ų | 77.5 | 20% | 0.203 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 151.9 | -176.6 | 49.5 | 0 | 0 | 0 | 0 | 111.9 | T107 H140 A263 | T107-S109 PolarHBondContact O-N 3.07Å; T107-S109 PolarHBondContact O-OG 3.29Å; S109-H140 PolarHBondContact N-O 3.03Å; S109-H140 PolarHBondContact O-N 2.78Å; S109-H140 VanDerWaalsContact O-O 3.1Å; S109-A263 CarbonylContact C-O 3.49Å; S109-A263 VanDerWaalsContact CA-O 3.26Å; S109-A263 WeakPolarHBondContact CA-O 3.49Å |
| 110 | A | 98.1 | Very high | 80.2 | Confident | 3 Ų | 3 | 73.4 Ų | 73.4 | 3% | 0.025 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 140.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | N138 L139 M142 L149 Y160 G262 A263 | A110-N138 CarbonylContact C-O 3.6Å; A110-N138 WeakPolarHBondContact CA-O 3.22Å; A110-L139 HydrophobicContact CB-CD2 3.75Å; A110-M142 HydrophobicContact CB-CB 4.49Å; A110-M142 HydrophobicContact CB-SD 3.78Å; A110-L149 HydrophobicContact CB-CD1 3.52Å; A110-L149 HydrophobicContact CB-CD2 3.78Å; A110-L149 HydrophobicContact CB-CG 4.31Å; A110-Y160 PolarHBondContact O-OH 2.83Å; A110-G262 CarbonylContact O-C 3.49Å; A110-G262 WeakPolarHBondContact O-CA 3.34Å; A110-A263 PolarHBondContact N-O 2.96Å; A110-A263 PolarHBondContact O-N 3.41Å |
| 111 | H | 98 | Very high | 82 | Confident | 67 Ų | 67 | 70.9 Ų | 70.9 | 31% | 0.31 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 110.5 | 166.4 | -175.9 | 86 | 0 | 0 | 0 | 108.2 | G137 N138 Y160 Y260 | H111-G137 CarbonylContact O-C 3.57Å; H111-G137 VanDerWaalsContact O-CA 3.25Å; H111-G137 WeakPolarHBondContact O-CA 3.22Å; H111-N138 HydrophobicContact CB-CB 4.37Å; H111-N138 PolarHBondContact N-O 2.79Å; H111-N138 PolarHBondContact O-N 3.34Å; H111-Y160 WeakPolarHBondContact CB-OH 3.46Å; H111-Y160 AromaticContact ND1-CE2 3.65Å; H111-Y160 AromaticContact ND1-CZ 3.74Å; H111-Y160 PolarHBondContact ND1-OH 3.05Å; H111-Y260 AromaticContact CE1-CD2 3.48Å; H111-Y260 VanDerWaalsContact CE1-CD2 3.48Å; H111-Y260 WeakPolarHBondContact CE1-CD2 3.46Å; H111-Y260 AromaticContact CE1-CG 3.59Å; H111-Y260 AromaticContact NE2-CG 3.97Å |
| 112 | L | 98.3 | Very high | 83.6 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 111.6 | -173 | -59.6 | 175.1 | 0 | 0 | 0 | 109.3 | W132 D134 L139 Y144 L149 Y260 F261 | L112-W132 HydrophobicContact CB-CB 3.69Å; L112-W132 HydrophobicContact CB-CG 4.18Å; L112-W132 HydrophobicContact CD1-CB 4.11Å; L112-W132 HydrophobicContact CD1-CG 4.47Å; L112-W132 HydrophobicContact CG-CB 4.47Å; L112-W132 VanDerWaalsContact O-CE3 3.29Å; L112-D134 HydrophobicContact CD2-CB 4.42Å; L112-L139 HydrophobicContact CD1-CD2 4.46Å; L112-L139 HydrophobicContact CD2-CD1 4.01Å; L112-L139 HydrophobicContact CD2-CD2 3.9Å; L112-L139 HydrophobicContact CD2-CG 3.76Å; L112-L139 HydrophobicContact CG-CD2 4.42Å; L112-Y144 HydrophobicContact CD1-CD2 3.69Å; L112-Y144 HydrophobicContact CD1-CE2 4.22Å; L112-Y144 HydrophobicContact CD1-CG 4.39Å; L112-L149 HydrophobicContact CD1-CD1 4.16Å; L112-Y260 CarbonylContact O-C 3.52Å; L112-Y260 VanDerWaalsContact O-CA 3.31Å; L112-Y260 WeakPolarHBondContact O-CA 3.29Å; L112-F261 PolarHBondContact N-O 3.03Å; L112-F261 PolarHBondContact O-N 2.79Å |
| 113 | P | 97.9 | Very high | 84.7 | Confident | 16 Ų | 16 | 71.7 Ų | 71.7 | 10% | 0.104 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 162.3 | 169.6 | 29.7 | -30.4 | 0 | 0 | 0 | 110.6 | W132 D133 A256 | P113-W132 WeakPolarHBondContact O-CA 3.34Å; P113-D133 HydrophobicContact CG-CB 4.27Å; P113-D133 PolarHBondContact O-N 3.24Å; P113-A256 HydrophobicContact CB-CB 3.64Å |
| 114 | I | 97.6 | Very high | 85.8 | Confident | 5 Ų | 5 | 65.5 Ų | 65.5 | 3% | 0.026 | 36% | 0.356 | C | S | . | . | B | Isolated β-bridge | trans | -59.2 | 141.9 | 175.3 | -172 | 166.3 | 0 | 0 | 0 | 111.2 | A116 I130 W132 L252 Q254 T259 | I114-A116 PolarHBondContact O-N 2.89Å; I114-I130 HydrophobicContact CD1-CG2 4.31Å; I114-I130 HydrophobicContact CG1-CG2 4.16Å; I114-W132 HydrophobicContact CB-CE3 4.46Å; I114-W132 HydrophobicContact CB-CZ3 4.31Å; I114-L252 HydrophobicContact CD1-CD2 3.43Å; I114-L252 VanDerWaalsContact CD1-CD2 3.43Å; I114-L252 HydrophobicContact CD1-CG 3.92Å; I114-Q254 WeakPolarHBondContact CG2-O 3.42Å; I114-T259 HydrophobicContact CB-CG2 3.97Å; I114-T259 HydrophobicContact CD1-CG2 4Å; I114-T259 HydrophobicContact CG1-CG2 4.47Å; I114-T259 HydrophobicContact CG2-CG2 4.47Å; I114-T259 PolarHBondContact N-O 2.91Å |
| 115 | R | 96.4 | Very high | 87 | Confident | 85 Ų | 85 | 66.7 Ų | 66.7 | 32% | 0.321 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -75.7 | 122.9 | 170.3 | -174.1 | 178.1 | -66.7 | 164.5 | -7.9 | 109.3 | Q118 K131 W132 D133 D134 | R115-Q118 WeakPolarHBondContact O-CB 3.42Å; R115-K131 HydrophobicContact CB-CB 4.49Å; R115-K131 VanDerWaalsContact CB-O 3.3Å; R115-K131 WeakPolarHBondContact CB-O 3.26Å; R115-K131 PolarHBondContact N-O 2.88Å; R115-W132 PolarHBondContact NE-O 2.79Å; R115-W132 PolarHBondContact NH2-O 2.82Å; R115-W132 VanDerWaalsContact NH2-O 3.11Å; R115-D133 HydrophobicContact CB-CB 4.43Å; R115-D134 IonicContact NH2-OD1 3.96Å; R115-D134 PolarHBondContact NH2-OD1 3.35Å |
| 116 | A | 92.3 | Very high | 88.4 | Confident | 56 Ų | 56 | 66 Ų | 66 | 46% | 0.463 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -121.5 | 142.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.2 | I114 Q254 | I114-A116 PolarHBondContact O-N 2.89Å; A116-Q254 HydrophobicContact CB-CB 4.1Å |
| 117 | P | 90.3 | Very high | 89.1 | Confident | 104 Ų | 104 | 65.8 Ų | 65.8 | 68% | 0.675 | 34% | 0.338 | S | S | * | . | S | Bend | cis | -74.1 | 145.3 | -7.8 | 31 | -33.6 | 0 | 0 | 0 | 111.9 | ||
| 118 | Q | 91.4 | Very high | 89.3 | Confident | 29 Ų | 29 | 64.4 Ų | 64.4 | 14% | 0.136 | 33% | 0.327 | C | S | . | . | trans | -122.1 | 110.4 | 169.4 | -170.1 | 170.8 | 18.3 | 0 | 0 | 110.2 | R115 F120 K131 Q254 | R115-Q118 WeakPolarHBondContact O-CB 3.42Å; Q118-F120 HydrophobicContact CB-CE2 3.98Å; Q118-F120 HydrophobicContact CB-CZ 3.93Å; Q118-F120 VanDerWaalsContact CD-CE1 3.48Å; Q118-F120 HydrophobicContact CG-CD1 4.41Å; Q118-F120 HydrophobicContact CG-CE1 3.69Å; Q118-F120 HydrophobicContact CG-CE2 3.92Å; Q118-F120 HydrophobicContact CG-CZ 3.43Å; Q118-F120 VanDerWaalsContact CG-CZ 3.43Å; Q118-F120 VanDerWaalsContact O-CD2 3.26Å; Q118-F120 WeakPolarHBondContact O-CD2 3.28Å; Q118-F120 WeakPolarHBondContact O-CE2 3.28Å; Q118-K131 VanDerWaalsContact NE2-CG 3.27Å; Q118-Q254 PolarHBondContact O-NE2 3.38Å | ||
| 119 | E | 87.6 | Confident | 89.3 | Confident | 164 Ų | 164 | 65.8 Ų | 65.8 | 77% | 0.766 | 33% | 0.334 | S | S | * | . | trans | -76.6 | 130.6 | -179.8 | -65.1 | -58.1 | 146.2 | 0 | 0 | 111.1 | ||||
| 120 | F | 87.5 | Confident | 89.3 | Confident | 32 Ų | 32 | 64.4 Ų | 64.4 | 14% | 0.14 | 33% | 0.325 | C | S | . | . | trans | -128.6 | 134 | 176.6 | -57.6 | -70.9 | 0 | 0 | 0 | 109.9 | Q118 K122 I128 A249 W250 L252 | Q118-F120 HydrophobicContact CB-CE2 3.98Å; Q118-F120 HydrophobicContact CB-CZ 3.93Å; Q118-F120 VanDerWaalsContact CD-CE1 3.48Å; Q118-F120 HydrophobicContact CG-CD1 4.41Å; Q118-F120 HydrophobicContact CG-CE1 3.69Å; Q118-F120 HydrophobicContact CG-CE2 3.92Å; Q118-F120 HydrophobicContact CG-CZ 3.43Å; Q118-F120 VanDerWaalsContact CG-CZ 3.43Å; Q118-F120 VanDerWaalsContact O-CD2 3.26Å; Q118-F120 WeakPolarHBondContact O-CD2 3.28Å; Q118-F120 WeakPolarHBondContact O-CE2 3.28Å; F120-K122 PolarHBondContact O-N 2.84Å; F120-I128 HydrophobicContact CD1-CG2 3.9Å; F120-I128 HydrophobicContact CE1-CG2 3.64Å; F120-A249 HydrophobicContact CB-CB 4.36Å; F120-A249 HydrophobicContact CD1-CB 3.62Å; F120-A249 HydrophobicContact CD2-CB 4.24Å; F120-A249 WeakPolarHBondContact CD2-O 3.4Å; F120-A249 HydrophobicContact CE1-CB 3.81Å; F120-A249 HydrophobicContact CE2-CB 4.4Å; F120-A249 WeakPolarHBondContact CE2-O 3.09Å; F120-A249 HydrophobicContact CG-CB 3.83Å; F120-A249 HydrophobicContact CZ-CB 4.17Å; F120-W250 HydrophobicContact CB-CB 3.99Å; F120-L252 HydrophobicContact CE2-CB 4.31Å; F120-L252 HydrophobicContact CE2-CD2 4.29Å; F120-L252 HydrophobicContact CZ-CD2 4.16Å | ||
| 121 | T | 82.5 | Confident | 89.3 | Confident | 110 Ų | 110 | 66.1 Ų | 66.1 | 68% | 0.675 | 33% | 0.332 | S | S | * | . | trans | -68.7 | 123.3 | 179.2 | -51.7 | 0 | 0 | 0 | 0 | 110.9 | D124 | T121-D124 PolarHBondContact O-N 2.82Š| ||
| 122 | K | 77.1 | Confident | 89.3 | Confident | 140 Ų | 140 | 63 Ų | 63 | 61% | 0.609 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | 138.2 | 173.8 | -66.5 | 178.5 | -178.1 | 174.1 | 0 | 109.7 | F120 D124 P184 W250 | F120-K122 PolarHBondContact O-N 2.84Å; K122-D124 VanDerWaalsContact C-N 3.26Å; K122-D124 PolarHBondContact O-N 2.84Å; K122-P184 HydrophobicContact CD-CG 4.1Å; K122-W250 HydrophobicContact CG-CB 4.43Å; K122-W250 HydrophobicContact CG-CD2 4.42Å; K122-W250 HydrophobicContact CG-CE3 4.24Å |
| 123 | K | 69.3 | Low | 89.2 | Confident | 121 Ų | 121 | 64.2 Ų | 64.2 | 53% | 0.526 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.2 | 12.4 | -177.9 | -48.5 | 175.6 | -179.8 | 175.2 | 0 | 115.4 | Y125 | K123-Y125 WeakPolarHBondContact O-CD2 3.41Å; K123-Y125 PolarHBondContact O-N 3.03Å |
| 124 | D | 71.1 | Confident | 89 | Confident | 64 Ų | 64 | 66.2 Ų | 66.2 | 34% | 0.342 | 33% | 0.334 | S | S | . | . | trans | -78.2 | 112 | 160.5 | -168.7 | 4.2 | 0 | 0 | 0 | 109.1 | T121 K122 S126 | T121-D124 PolarHBondContact O-N 2.82Å; K122-D124 VanDerWaalsContact C-N 3.26Å; K122-D124 PolarHBondContact O-N 2.84Å; D124-S126 VanDerWaalsContact C-N 3.25Å; D124-S126 WeakPolarHBondContact OD1-CB 3.09Å; D124-S126 PolarHBondContact OD1-N 2.77Å; D124-S126 PolarHBondContact OD1-OG 3.44Å; D124-S126 PolarHBondContact OD2-OG 2.98Å | ||
| 125 | Y | 73.7 | Confident | 88.8 | Confident | 174 Ų | 174 | 73.7 Ų | 73.7 | 68% | 0.682 | 37% | 0.368 | S | S | * | . | trans | -87.6 | 2.2 | 175.2 | -59.9 | -77.5 | 0 | 0 | 0 | 112 | K123 | K123-Y125 WeakPolarHBondContact O-CD2 3.41Å; K123-Y125 PolarHBondContact O-N 3.03Å | ||
| 126 | S | 85 | Confident | 88.6 | Confident | 47 Ų | 47 | 76.7 Ų | 76.7 | 33% | 0.329 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -65.3 | 155.9 | 174.9 | 83.9 | 0 | 0 | 0 | 0 | 111.5 | D124 I128 | D124-S126 VanDerWaalsContact C-N 3.25Å; D124-S126 WeakPolarHBondContact OD1-CB 3.09Å; D124-S126 PolarHBondContact OD1-N 2.77Å; D124-S126 PolarHBondContact OD1-OG 3.44Å; D124-S126 PolarHBondContact OD2-OG 2.98Å; S126-I128 PolarHBondContact O-N 3.32Å; S126-I128 VanDerWaalsContact OG-CD1 3.28Å; S126-I128 WeakPolarHBondContact OG-CD1 3.23Å |
| 127 | M | 91.6 | Very high | 88.6 | Confident | 61 Ų | 61 | 74.9 Ų | 74.9 | 30% | 0.3 | 37% | 0.372 | S | S | . | . | trans | -76.9 | 119.1 | 172.1 | -68.8 | -57.5 | -46 | 0 | 0 | 108.5 | Y194 E245 V246 | M127-Y194 HydrophobicContact CE-CD2 3.08Å; M127-Y194 HydrophobicContact CE-CE2 3.18Å; M127-Y194 HydrophobicContact CE-CG 4.08Å; M127-Y194 HydrophobicContact SD-CD2 4.03Å; M127-Y194 HydrophobicContact SD-CE2 3.47Å; M127-Y194 WeakPolarHBondContact SD-CE2 3.42Å; M127-E245 HydrophobicContact CB-CB 4.35Å; M127-E245 HydrophobicContact CE-CB 3.73Å; M127-V246 WeakPolarHBondContact CE-O 3.22Å | ||
| 128 | I | 95.6 | Very high | 88.8 | Confident | 42 Ų | 42 | 74.6 Ų | 74.6 | 22% | 0.215 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 131.5 | -178.3 | -58.9 | -62.7 | 0 | 0 | 0 | 110.1 | F120 S126 E245 V246 A249 | F120-I128 HydrophobicContact CD1-CG2 3.9Å; F120-I128 HydrophobicContact CE1-CG2 3.64Å; S126-I128 PolarHBondContact O-N 3.32Å; S126-I128 VanDerWaalsContact OG-CD1 3.28Å; S126-I128 WeakPolarHBondContact OG-CD1 3.23Å; I128-E245 CarbonylContact O-C 3.53Å; I128-E245 WeakPolarHBondContact O-CA 3.39Å; I128-V246 PolarHBondContact N-O 2.88Å; I128-V246 PolarHBondContact O-N 2.87Å; I128-A249 HydrophobicContact CB-CB 3.71Å; I128-A249 HydrophobicContact CG1-CB 3.85Å; I128-A249 HydrophobicContact CG2-CB 4.13Å |
| 129 | N | 96.8 | Very high | 89.1 | Confident | 32 Ų | 32 | 75.8 Ų | 75.8 | 17% | 0.171 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 121.2 | 171.3 | -175.8 | -44.4 | 0 | 0 | 0 | 110 | F243 V244 E245 | N129-F243 WeakPolarHBondContact ND2-CD2 3.41Å; N129-V244 WeakPolarHBondContact CA-O 3.5Å; N129-E245 HydrophobicContact CB-CG 4.16Å |
| 130 | I | 97.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -72.1 | 134.7 | -179.6 | -59.1 | 173.8 | 0 | 0 | 0 | 109.6 | I114 W132 T163 V244 V246 L252 | I114-I130 HydrophobicContact CD1-CG2 4.31Å; I114-I130 HydrophobicContact CG1-CG2 4.16Å; I130-W132 HydrophobicContact CB-CH2 4.28Å; I130-W132 HydrophobicContact CB-CZ2 3.7Å; I130-W132 HydrophobicContact CD1-CH2 3.91Å; I130-W132 HydrophobicContact CD1-CZ2 3.85Å; I130-W132 HydrophobicContact CG1-CZ2 4.36Å; I130-W132 HydrophobicContact CG2-CD2 3.94Å; I130-W132 HydrophobicContact CG2-CE3 4.09Å; I130-W132 HydrophobicContact CG2-CH2 3.78Å; I130-W132 HydrophobicContact CG2-CZ2 3.6Å; I130-W132 HydrophobicContact CG2-CZ3 4.01Å; I130-W132 PolarHBondContact O-NE1 2.84Å; I130-T163 HydrophobicContact CD1-CG2 3.79Å; I130-V244 HydrophobicContact CD1-CG1 3.97Å; I130-V244 PolarHBondContact N-O 2.88Å; I130-V246 HydrophobicContact CD1-CB 4.46Å; I130-V246 HydrophobicContact CD1-CG1 3.68Å; I130-V246 HydrophobicContact CD1-CG2 3.96Å; I130-V246 HydrophobicContact CG1-CG1 4.42Å; I130-V246 HydrophobicContact CG1-CG2 3.89Å; I130-L252 HydrophobicContact CD1-CD1 4.35Å; I130-L252 HydrophobicContact CD1-CD2 3.72Å; I130-L252 HydrophobicContact CG1-CD2 3.84Å; I130-L252 HydrophobicContact CG2-CD2 4.3Å |
| 131 | K | 97.7 | Very high | 89.9 | Confident | 40 Ų | 40 | 73.4 Ų | 73.4 | 17% | 0.174 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -94.9 | 130.8 | 170.8 | -56.6 | -64.1 | 169.5 | 172.5 | 0 | 108.4 | R115 Q118 D146 | R115-K131 HydrophobicContact CB-CB 4.49Å; R115-K131 VanDerWaalsContact CB-O 3.3Å; R115-K131 WeakPolarHBondContact CB-O 3.26Å; R115-K131 PolarHBondContact N-O 2.88Å; Q118-K131 VanDerWaalsContact NE2-CG 3.27Å; K131-D146 WeakPolarHBondContact CE-OD1 3.42Å; K131-D146 PolarHBondContact NZ-O 2.89Å; K131-D146 IonicContact NZ-OD1 3.44Å; K131-D146 PolarHBondContact NZ-OD1 3.49Å; K131-D146 IonicContact NZ-OD2 3.15Å; K131-D146 PolarHBondContact NZ-OD2 2.88Å |
| 132 | W | 97.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 33% | 0.33 | C | S | . | . | B | Isolated β-bridge | trans | -104.6 | 154.1 | -176.7 | -51.6 | 97 | 0 | 0 | 0 | 111 | L112 P113 I114 R115 I130 D134 Y144 V244 T259 Y260 F261 | L112-W132 HydrophobicContact CB-CB 3.69Å; L112-W132 HydrophobicContact CB-CG 4.18Å; L112-W132 HydrophobicContact CD1-CB 4.11Å; L112-W132 HydrophobicContact CD1-CG 4.47Å; L112-W132 HydrophobicContact CG-CB 4.47Å; L112-W132 VanDerWaalsContact O-CE3 3.29Å; P113-W132 WeakPolarHBondContact O-CA 3.34Å; I114-W132 HydrophobicContact CB-CE3 4.46Å; I114-W132 HydrophobicContact CB-CZ3 4.31Å; R115-W132 PolarHBondContact NE-O 2.79Å; R115-W132 PolarHBondContact NH2-O 2.82Å; R115-W132 VanDerWaalsContact NH2-O 3.11Å; I130-W132 HydrophobicContact CB-CH2 4.28Å; I130-W132 HydrophobicContact CB-CZ2 3.7Å; I130-W132 HydrophobicContact CD1-CH2 3.91Å; I130-W132 HydrophobicContact CD1-CZ2 3.85Å; I130-W132 HydrophobicContact CG1-CZ2 4.36Å; I130-W132 HydrophobicContact CG2-CD2 3.94Å; I130-W132 HydrophobicContact CG2-CE3 4.09Å; I130-W132 HydrophobicContact CG2-CH2 3.78Å; I130-W132 HydrophobicContact CG2-CZ2 3.6Å; I130-W132 HydrophobicContact CG2-CZ3 4.01Å; I130-W132 PolarHBondContact O-NE1 2.84Å; W132-D134 PolarHBondContact O-N 2.94Å; W132-Y144 HydrophobicContact CB-CE2 3.92Å; W132-Y144 AromaticContact CD1-CE2 3.92Å; W132-Y144 HydrophobicContact CG-CE2 4.33Å; W132-Y144 PolarHBondContact N-OH 2.84Å; W132-Y144 PolarHBondContact O-OH 3.21Å; W132-Y144 VanDerWaalsContact O-OH 3.13Å; W132-V244 HydrophobicContact CZ2-CB 3.8Å; W132-V244 HydrophobicContact CZ2-CG1 4.24Å; W132-V244 HydrophobicContact CZ2-CG2 3.84Å; W132-T259 HydrophobicContact CH2-CG2 3.98Å; W132-T259 HydrophobicContact CZ3-CG2 3.88Å; W132-Y260 VanDerWaalsContact CZ3-CA 3.48Å; W132-F261 HydrophobicContact CD2-CB 3.94Å; W132-F261 HydrophobicContact CE3-CB 4.09Å; W132-F261 HydrophobicContact CH2-CB 3.64Å; W132-F261 HydrophobicContact CZ2-CB 3.43Å; W132-F261 VanDerWaalsContact CZ2-CB 3.43Å; W132-F261 HydrophobicContact CZ2-CG 4.2Å; W132-F261 HydrophobicContact CZ3-CB 3.97Å; W132-F261 AromaticContact NE1-CD1 3.85Å |
| 133 | D | 96.8 | Very high | 91.5 | Very high | 27 Ų | 27 | 63.5 Ų | 63.5 | 14% | 0.144 | 31% | 0.311 | C | S | . | . | trans | -87.2 | 100.9 | 176.6 | -169.1 | -22.1 | 0 | 0 | 0 | 109.9 | P113 R115 Q135 H136 G137 | P113-D133 HydrophobicContact CG-CB 4.27Å; P113-D133 PolarHBondContact O-N 3.24Å; R115-D133 HydrophobicContact CB-CB 4.43Å; D133-Q135 WeakPolarHBondContact OD1-CA 3.48Å; D133-Q135 WeakPolarHBondContact OD1-CB 3.36Å; D133-Q135 PolarHBondContact OD1-N 3.23Å; D133-H136 IonicContact OD1-CG 3.59Å; D133-H136 PolarHBondContact OD1-N 2.88Å; D133-H136 IonicContact OD1-ND1 3.99Å; D133-H136 PolarHBondContact OD1-ND1 3.42Å; D133-H136 IonicContact OD2-CE1 3.35Å; D133-H136 IonicContact OD2-CG 3.66Å; D133-H136 IonicContact OD2-ND1 3.93Å; D133-H136 PolarHBondContact OD2-ND1 3.29Å; D133-G137 WeakPolarHBondContact O-CA 3.31Å; D133-G137 PolarHBondContact O-N 3.2Å | ||
| 134 | D | 94.6 | Very high | 92.9 | Very high | 58 Ų | 58 | 59 Ų | 59 | 31% | 0.31 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -10.6 | 177 | 57.8 | -52.9 | 0 | 0 | 0 | 113.7 | L112 R115 W132 L139 Y144 | L112-D134 HydrophobicContact CD2-CB 4.42Å; R115-D134 IonicContact NH2-OD1 3.96Å; R115-D134 PolarHBondContact NH2-OD1 3.35Å; W132-D134 PolarHBondContact O-N 2.94Å; D134-L139 HydrophobicContact CB-CD1 3.82Å; D134-Y144 HydrophobicContact CB-CD1 3.42Å; D134-Y144 VanDerWaalsContact CB-CD1 3.42Å; D134-Y144 HydrophobicContact CB-CE1 4.05Å; D134-Y144 HydrophobicContact CB-CG 3.84Å |
| 135 | Q | 92.9 | Very high | 94.1 | Very high | 162 Ų | 162 | 60.7 Ų | 60.7 | 76% | 0.757 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -40.3 | 176.5 | -62.7 | -172 | -5.2 | 0 | 0 | 111.4 | D133 | D133-Q135 WeakPolarHBondContact OD1-CA 3.48Å; D133-Q135 WeakPolarHBondContact OD1-CB 3.36Å; D133-Q135 PolarHBondContact OD1-N 3.23Å |
| 136 | H | 92.7 | Very high | 95.1 | Very high | 148 Ų | 148 | 56.9 Ų | 56.9 | 69% | 0.685 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.1 | -7.3 | 177.6 | -54.5 | 103.4 | 0 | 0 | 0 | 113 | D133 | D133-H136 IonicContact OD1-CG 3.59Å; D133-H136 PolarHBondContact OD1-N 2.88Å; D133-H136 IonicContact OD1-ND1 3.99Å; D133-H136 PolarHBondContact OD1-ND1 3.42Å; D133-H136 IonicContact OD2-CE1 3.35Å; D133-H136 IonicContact OD2-CG 3.66Å; D133-H136 IonicContact OD2-ND1 3.93Å; D133-H136 PolarHBondContact OD2-ND1 3.29Å |
| 137 | G | 91.8 | Very high | 95.6 | Very high | 17 Ų | 17 | 54.7 Ų | 54.7 | 18% | 0.175 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -75.9 | 161.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | H111 D133 | H111-G137 CarbonylContact O-C 3.57Å; H111-G137 VanDerWaalsContact O-CA 3.25Å; H111-G137 WeakPolarHBondContact O-CA 3.22Å; D133-G137 WeakPolarHBondContact O-CA 3.31Å; D133-G137 PolarHBondContact O-N 3.2Å |
| 138 | N | 95.1 | Very high | 95.9 | Very high | 99 Ų | 99 | 52.5 Ų | 52.5 | 53% | 0.529 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 121 | 169.4 | -170.3 | -32.8 | 0 | 0 | 0 | 108.9 | A110 H111 | A110-N138 CarbonylContact C-O 3.6Å; A110-N138 WeakPolarHBondContact CA-O 3.22Å; H111-N138 HydrophobicContact CB-CB 4.37Å; H111-N138 PolarHBondContact N-O 2.79Å; H111-N138 PolarHBondContact O-N 3.34Å |
| 139 | L | 96.1 | Very high | 96.1 | Very high | 54 Ų | 54 | 50.5 Ų | 50.5 | 28% | 0.283 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 115.5 | 173.3 | -77.6 | 169.4 | 0 | 0 | 0 | 109.4 | A110 L112 D134 M142 L149 | A110-L139 HydrophobicContact CB-CD2 3.75Å; L112-L139 HydrophobicContact CD1-CD2 4.46Å; L112-L139 HydrophobicContact CD2-CD1 4.01Å; L112-L139 HydrophobicContact CD2-CD2 3.9Å; L112-L139 HydrophobicContact CD2-CG 3.76Å; L112-L139 HydrophobicContact CG-CD2 4.42Å; D134-L139 HydrophobicContact CB-CD1 3.82Å; L139-M142 HydrophobicContact CD2-CB 4.36Å; L139-L149 HydrophobicContact CD2-CD1 3.69Å |
| 140 | H | 96.2 | Very high | 96.1 | Very high | 55 Ų | 55 | 51.1 Ų | 51.1 | 26% | 0.255 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 116.9 | 178.5 | -172.3 | 72.7 | 0 | 0 | 0 | 110.9 | T106 P108 S109 M142 | T106-H140 WeakPolarHBondContact CB-NE2 3.43Å; T106-H140 WeakPolarHBondContact CG2-CD2 3.45Å; T106-H140 VanDerWaalsContact CG2-CE1 3.44Å; T106-H140 WeakPolarHBondContact CG2-CE1 3.5Å; T106-H140 WeakPolarHBondContact CG2-NE2 3.07Å; T106-H140 PolarHBondContact O-NE2 3.17Å; P108-H140 CarbonylContact C-O 3.48Å; P108-H140 WeakPolarHBondContact CA-O 3.05Å; S109-H140 PolarHBondContact N-O 3.03Å; S109-H140 PolarHBondContact O-N 2.78Å; S109-H140 VanDerWaalsContact O-O 3.1Å; H140-M142 PolarHBondContact O-N 3.36Å |
| 141 | K | 96.1 | Very high | 96.2 | Very high | 91 Ų | 91 | 51.2 Ų | 51.2 | 40% | 0.396 | 26% | 0.259 | S | S | . | . | S | Bend | trans | 49.1 | 33.8 | -176.1 | -64.1 | 169 | 174.1 | -173.6 | 0 | 113.1 | T106 P108 R152 E153 | T106-K141 WeakPolarHBondContact O-CD 3.47Å; T106-K141 WeakPolarHBondContact O-CE 3.27Å; T106-K141 PolarHBondContact O-NZ 3.5Å; P108-K141 HydrophobicContact CB-CB 4.09Å; P108-K141 HydrophobicContact CG-CB 4.02Å; P108-K141 HydrophobicContact CG-CD 4.29Å; K141-R152 WeakPolarHBondContact O-CB 3.2Å; K141-E153 WeakPolarHBondContact CD-OE1 2.94Å; K141-E153 IonicContact NZ-OE1 2.77Å |
| 142 | M | 96.9 | Very high | 96.1 | Very high | 11 Ų | 11 | 55.5 Ų | 55.5 | 5% | 0.054 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 163 | 169.8 | -60.9 | -168.8 | 76.7 | 0 | 0 | 106.2 | P108 A110 L139 H140 L149 V151 Y157 A263 | P108-M142 HydrophobicContact CB-CG 4.21Å; A110-M142 HydrophobicContact CB-CB 4.49Å; A110-M142 HydrophobicContact CB-SD 3.78Å; L139-M142 HydrophobicContact CD2-CB 4.36Å; H140-M142 PolarHBondContact O-N 3.36Å; M142-L149 HydrophobicContact CB-CD1 4.03Å; M142-L149 HydrophobicContact CE-CD1 4.01Å; M142-L149 HydrophobicContact CE-CD2 3.7Å; M142-L149 HydrophobicContact CE-CG 3.68Å; M142-L149 HydrophobicContact SD-CD1 4.41Å; M142-L149 HydrophobicContact SD-CD2 4.39Å; M142-V151 HydrophobicContact CE-CG2 4.33Å; M142-Y157 HydrophobicContact CE-CD1 4.36Å; M142-Y157 HydrophobicContact CE-CE1 3.98Å; M142-Y157 HydrophobicContact SD-CE1 4.08Å; M142-A263 HydrophobicContact CE-CB 4.15Å; M142-A263 HydrophobicContact SD-CB 4.39Å |
| 143 | S | 96.9 | Very high | 96.1 | Very high | 30 Ų | 30 | 58.5 Ų | 58.5 | 21% | 0.21 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 163.2 | 174.7 | -59.6 | 0 | 0 | 0 | 0 | 110.7 | L149 L150 R152 | S143-L149 CarbonylContact O-C 3.49Å; S143-L150 PolarHBondContact N-O 2.86Å; S143-L150 VanDerWaalsContact N-O 3.07Å; S143-L150 PolarHBondContact O-N 3.18Å; S143-R152 PolarHBondContact OG-NE 3.29Å; S143-R152 PolarHBondContact OG-NH2 2.92Å |
| 144 | Y | 98 | Very high | 96.1 | Very high | 28 Ų | 28 | 60 Ų | 60 | 11% | 0.11 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 137.4 | 178.5 | 174.8 | -98.3 | 0 | 0 | 0 | 109.1 | L112 W132 D134 G147 N148 | L112-Y144 HydrophobicContact CD1-CD2 3.69Å; L112-Y144 HydrophobicContact CD1-CE2 4.22Å; L112-Y144 HydrophobicContact CD1-CG 4.39Å; W132-Y144 HydrophobicContact CB-CE2 3.92Å; W132-Y144 AromaticContact CD1-CE2 3.92Å; W132-Y144 HydrophobicContact CG-CE2 4.33Å; W132-Y144 PolarHBondContact N-OH 2.84Å; W132-Y144 PolarHBondContact O-OH 3.21Å; W132-Y144 VanDerWaalsContact O-OH 3.13Å; D134-Y144 HydrophobicContact CB-CD1 3.42Å; D134-Y144 VanDerWaalsContact CB-CD1 3.42Å; D134-Y144 HydrophobicContact CB-CE1 4.05Å; D134-Y144 HydrophobicContact CB-CG 3.84Å; Y144-G147 WeakPolarHBondContact OH-CA 3.08Å; Y144-G147 PolarHBondContact OH-N 2.95Å; Y144-N148 CarbonylContact C-O 3.6Å; Y144-N148 WeakPolarHBondContact CA-O 3.3Å; Y144-N148 WeakPolarHBondContact CD2-O 3.45Å |
| 145 | D | 96.3 | Very high | 96.2 | Very high | 98 Ų | 98 | 57.3 Ų | 57.3 | 52% | 0.524 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 113 | 175.9 | 179.8 | 38.8 | 0 | 0 | 0 | 109.9 | G147 N148 L150 | D145-G147 PolarHBondContact O-N 3.15Å; D145-N148 PolarHBondContact N-O 2.75Å; D145-N148 WeakPolarHBondContact O-CA 3.21Å; D145-N148 WeakPolarHBondContact O-CB 3.38Å; D145-N148 PolarHBondContact O-N 3.23Å; D145-N148 PolarHBondContact O-ND2 2.71Å; D145-L150 HydrophobicContact CB-CD1 3.9Å; D145-L150 HydrophobicContact CB-CG 4.45Å |
| 146 | D | 94.8 | Very high | 96.5 | Very high | 95 Ų | 95 | 52.4 Ų | 52.4 | 51% | 0.508 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 44.3 | 52.4 | 171.4 | -164.9 | 41 | 0 | 0 | 0 | 115.6 | K131 N148 | K131-D146 WeakPolarHBondContact CE-OD1 3.42Å; K131-D146 PolarHBondContact NZ-O 2.89Å; K131-D146 IonicContact NZ-OD1 3.44Å; K131-D146 PolarHBondContact NZ-OD1 3.49Å; K131-D146 IonicContact NZ-OD2 3.15Å; K131-D146 PolarHBondContact NZ-OD2 2.88Å; D146-N148 VanDerWaalsContact C-N 3.34Å; D146-N148 PolarHBondContact O-ND2 2.69Å |
| 147 | G | 96.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.6 | -1.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y144 D145 F243 | Y144-G147 WeakPolarHBondContact OH-CA 3.08Å; Y144-G147 PolarHBondContact OH-N 2.95Å; D145-G147 PolarHBondContact O-N 3.15Å; G147-F243 VanDerWaalsContact O-CB 3.25Å; G147-F243 WeakPolarHBondContact O-CB 3.11Å |
| 148 | N | 97.8 | Very high | 97 | Very high | 16 Ų | 16 | 48.9 Ų | 48.9 | 9% | 0.086 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 124.2 | 178.9 | -49.7 | -92.3 | 0 | 0 | 0 | 110.6 | Y144 D145 D146 L150 K198 A241 L242 | Y144-N148 CarbonylContact C-O 3.6Å; Y144-N148 WeakPolarHBondContact CA-O 3.3Å; Y144-N148 WeakPolarHBondContact CD2-O 3.45Å; D145-N148 PolarHBondContact N-O 2.75Å; D145-N148 WeakPolarHBondContact O-CA 3.21Å; D145-N148 WeakPolarHBondContact O-CB 3.38Å; D145-N148 PolarHBondContact O-N 3.23Å; D145-N148 PolarHBondContact O-ND2 2.71Å; D146-N148 VanDerWaalsContact C-N 3.34Å; D146-N148 PolarHBondContact O-ND2 2.69Å; N148-L150 HydrophobicContact CB-CD2 4.3Å; N148-K198 PolarHBondContact OD1-NZ 2.88Å; N148-A241 HydrophobicContact CB-CB 4.19Å; N148-L242 CarbonylContact C-O 3.58Å; N148-L242 WeakPolarHBondContact CA-O 3.43Å |
| 149 | L | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 112 | 167.8 | 177.9 | 67.2 | 0 | 0 | 0 | 109.1 | A110 L112 L139 M142 S143 A241 L242 F261 A263 | A110-L149 HydrophobicContact CB-CD1 3.52Å; A110-L149 HydrophobicContact CB-CD2 3.78Å; A110-L149 HydrophobicContact CB-CG 4.31Å; L112-L149 HydrophobicContact CD1-CD1 4.16Å; L139-L149 HydrophobicContact CD2-CD1 3.69Å; M142-L149 HydrophobicContact CB-CD1 4.03Å; M142-L149 HydrophobicContact CE-CD1 4.01Å; M142-L149 HydrophobicContact CE-CD2 3.7Å; M142-L149 HydrophobicContact CE-CG 3.68Å; M142-L149 HydrophobicContact SD-CD1 4.41Å; M142-L149 HydrophobicContact SD-CD2 4.39Å; S143-L149 CarbonylContact O-C 3.49Å; L149-A241 CarbonylContact O-C 3.57Å; L149-A241 WeakPolarHBondContact O-CA 3.31Å; L149-L242 HydrophobicContact CB-CB 4.4Å; L149-L242 HydrophobicContact CD2-CD1 4.43Å; L149-L242 PolarHBondContact N-O 3.45Å; L149-L242 PolarHBondContact O-N 2.73Å; L149-F261 HydrophobicContact CB-CE1 3.68Å; L149-F261 HydrophobicContact CB-CZ 4.33Å; L149-F261 HydrophobicContact CD2-CE1 3.84Å; L149-F261 HydrophobicContact CD2-CZ 3.97Å; L149-F261 HydrophobicContact CG-CE1 4.42Å; L149-A263 HydrophobicContact CD2-CB 3.91Å |
| 150 | L | 97.9 | Very high | 97.3 | Very high | 45 Ų | 45 | 43.9 Ų | 43.9 | 24% | 0.236 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 129.6 | -175.9 | -55.1 | 177.2 | 0 | 0 | 0 | 111.4 | S143 D145 N148 A241 | S143-L150 PolarHBondContact N-O 2.86Å; S143-L150 VanDerWaalsContact N-O 3.07Å; S143-L150 PolarHBondContact O-N 3.18Å; D145-L150 HydrophobicContact CB-CD1 3.9Å; D145-L150 HydrophobicContact CB-CG 4.45Å; N148-L150 HydrophobicContact CB-CD2 4.3Å; L150-A241 HydrophobicContact CD2-CB 3.66Å |
| 151 | V | 97.9 | Very high | 97.4 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 124 | 177.6 | 179.6 | 0 | 0 | 0 | 0 | 109.5 | M142 E153 Y157 L236 V237 G239 D240 | M142-V151 HydrophobicContact CE-CG2 4.33Å; V151-E153 WeakPolarHBondContact CG1-O 3.46Å; V151-Y157 HydrophobicContact CG1-CE2 3.93Å; V151-L236 HydrophobicContact CG1-CB 4.2Å; V151-L236 HydrophobicContact CG2-CB 3.98Å; V151-L236 HydrophobicContact CG2-CD1 3.72Å; V151-L236 HydrophobicContact CG2-CG 4.41Å; V151-V237 WeakPolarHBondContact CG1-O 3.38Å; V151-G239 PolarHBondContact O-N 3.31Å; V151-D240 HydrophobicContact CB-CB 4.44Å; V151-D240 WeakPolarHBondContact CB-O 3.08Å; V151-D240 HydrophobicContact CG2-CB 4.32Å; V151-D240 PolarHBondContact N-O 3.31Å |
| 152 | R | 97.3 | Very high | 97.5 | Very high | 131 Ų | 131 | 39.2 Ų | 39.2 | 49% | 0.494 | 19% | 0.191 | S | C | . | . | trans | -103 | -12.3 | 178.2 | -59.4 | -62.6 | -167.1 | 143 | 1.2 | 114 | K141 S143 E238 | K141-R152 WeakPolarHBondContact O-CB 3.2Å; S143-R152 PolarHBondContact OG-NE 3.29Å; S143-R152 PolarHBondContact OG-NH2 2.92Å; R152-E238 WeakPolarHBondContact O-CG 3.1Å | ||
| 153 | E | 96.9 | Very high | 97.6 | Very high | 63 Ų | 63 | 38.7 Ų | 38.7 | 29% | 0.294 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -136 | 135.5 | 177 | -67 | -173.7 | -162.7 | 0 | 0 | 109.3 | P108 K141 V151 Y157 K265 | P108-E153 HydrophobicContact CG-CB 4.1Å; P108-E153 VanDerWaalsContact CG-CD 3.48Å; P108-E153 HydrophobicContact CG-CG 4.09Å; P108-E153 VanDerWaalsContact CG-OE2 3.3Å; P108-E153 WeakPolarHBondContact CG-OE2 3.34Å; K141-E153 WeakPolarHBondContact CD-OE1 2.94Å; K141-E153 IonicContact NZ-OE1 2.77Å; V151-E153 WeakPolarHBondContact CG1-O 3.46Å; E153-Y157 WeakPolarHBondContact O-CE2 3.24Å; E153-Y157 PolarHBondContact O-OH 2.99Å; E153-K265 IonicContact OE2-NZ 3.06Å; E153-K265 PolarHBondContact OE2-NZ 2.79Å |
| 154 | S | 97.4 | Very high | 97.7 | Very high | 57 Ų | 57 | 37.3 Ų | 37.3 | 40% | 0.399 | 18% | 0.179 | S | C | . | . | trans | -69.6 | 148.8 | 175.6 | -57.2 | 0 | 0 | 0 | 0 | 111.4 | L236 V237 E238 K265 | S154-L236 CarbonylContact C-O 3.54Å; S154-L236 WeakPolarHBondContact CA-O 3.35Å; S154-V237 WeakPolarHBondContact OG-CA 3.44Å; S154-E238 PolarHBondContact OG-N 2.77Å; S154-K265 WeakPolarHBondContact O-CE 2.98Å; S154-K265 PolarHBondContact O-NZ 3Å | ||
| 155 | G | 97.1 | Very high | 97.6 | Very high | 2 Ų | 2 | 36 Ų | 36 | 2% | 0.021 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 158.8 | -172 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y157 N235 L236 G267 | G155-Y157 WeakPolarHBondContact O-CD2 3.35Å; G155-N235 PolarHBondContact O-OD1 3.46Å; G155-L236 PolarHBondContact N-O 2.98Å; G155-L236 PolarHBondContact O-N 3.29Å; G155-G267 WeakPolarHBondContact CA-O 3.38Å |
| 156 | L | 97.8 | Very high | 97.4 | Very high | 60 Ų | 60 | 34.4 Ų | 34.4 | 31% | 0.314 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 122.1 | 172.2 | -70.4 | 167.9 | 0 | 0 | 0 | 109.7 | V233 N235 K265 W266 G267 | L156-V233 HydrophobicContact CB-CG1 4.26Å; L156-V233 HydrophobicContact CD2-CG1 4.22Å; L156-N235 HydrophobicContact CD2-CB 3.87Å; L156-K265 CarbonylContact O-C 3.57Å; L156-W266 PolarHBondContact O-N 2.88Å; L156-G267 PolarHBondContact N-O 3.04Å; L156-G267 PolarHBondContact O-N 2.81Å |
| 157 | Y | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 131.2 | 179.5 | -76.3 | -100.2 | 0 | 0 | 0 | 110.7 | P108 M142 V151 E153 G155 V159 V233 V234 L236 A263 V264 K265 | P108-Y157 HydrophobicContact CB-CE1 4.13Å; M142-Y157 HydrophobicContact CE-CD1 4.36Å; M142-Y157 HydrophobicContact CE-CE1 3.98Å; M142-Y157 HydrophobicContact SD-CE1 4.08Å; V151-Y157 HydrophobicContact CG1-CE2 3.93Å; E153-Y157 WeakPolarHBondContact O-CE2 3.24Å; E153-Y157 PolarHBondContact O-OH 2.99Å; G155-Y157 WeakPolarHBondContact O-CD2 3.35Å; Y157-V159 PolarHBondContact O-N 2.83Å; Y157-V233 CarbonylContact O-C 3.6Å; Y157-V233 VanDerWaalsContact O-CA 3.27Å; Y157-V233 WeakPolarHBondContact O-CA 3.41Å; Y157-V234 PolarHBondContact N-O 3.39Å; Y157-V234 PolarHBondContact O-N 3.08Å; Y157-L236 HydrophobicContact CD2-CB 3.89Å; Y157-L236 HydrophobicContact CD2-CD1 3.86Å; Y157-L236 HydrophobicContact CD2-CG 4.15Å; Y157-L236 HydrophobicContact CE2-CB 4.29Å; Y157-L236 HydrophobicContact CG-CD1 3.84Å; Y157-A263 HydrophobicContact CD1-CB 4.21Å; Y157-V264 CarbonylContact C-O 3.58Å; Y157-V264 WeakPolarHBondContact CA-O 3.49Å; Y157-K265 HydrophobicContact CD1-CB 4.04Å; Y157-K265 HydrophobicContact CE1-CB 3.65Å; Y157-K265 HydrophobicContact CE1-CG 4.45Å; Y157-K265 HydrophobicContact CE2-CB 4.33Å; Y157-K265 HydrophobicContact CE2-CD 4.35Å; Y157-K265 HydrophobicContact CE2-CG 4.27Å |
| 158 | Y | 98.2 | Very high | 96.8 | Very high | 90 Ų | 90 | 36.9 Ų | 36.9 | 35% | 0.353 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 108.7 | 162.7 | 178.4 | -101.9 | 0 | 0 | 0 | 108.5 | Y160 S231 V233 A263 V264 | Y158-Y160 AromaticContact CD1-CD1 3.94Å; Y158-Y160 HydrophobicContact CD1-CD1 3.94Å; Y158-Y160 AromaticContact CE1-CD1 3.89Å; Y158-Y160 HydrophobicContact CE1-CD1 3.89Å; Y158-Y160 HydrophobicContact CE1-CG 4.25Å; Y158-S231 WeakPolarHBondContact CE2-OG 3.42Å; Y158-S231 VanDerWaalsContact CZ-CB 3.44Å; Y158-S231 WeakPolarHBondContact OH-CB 3.28Å; Y158-S231 PolarHBondContact OH-OG 3.03Å; Y158-V233 HydrophobicContact CD2-CG2 4.01Å; Y158-A263 CarbonylContact O-C 3.58Å; Y158-A263 VanDerWaalsContact O-CA 3.27Å; Y158-A263 WeakPolarHBondContact O-CA 3.47Å; Y158-V264 PolarHBondContact N-O 2.89Å; Y158-V264 PolarHBondContact O-N 2.77Å |
| 159 | V | 98.5 | Very high | 95.9 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.006 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 132.9 | -179.1 | -178.8 | 0 | 0 | 0 | 0 | 108.6 | Y157 V195 M210 S231 R232 V234 L242 F261 A263 | Y157-V159 PolarHBondContact O-N 2.83Å; V159-V195 HydrophobicContact CG1-CG1 4.28Å; V159-M210 HydrophobicContact CB-CE 4.3Å; V159-M210 HydrophobicContact CG1-CE 3.98Å; V159-S231 CarbonylContact O-C 3.57Å; V159-S231 WeakPolarHBondContact O-CA 3.06Å; V159-S231 WeakPolarHBondContact O-CB 3.32Å; V159-R232 PolarHBondContact N-O 3.01Å; V159-R232 PolarHBondContact O-N 3.09Å; V159-V234 HydrophobicContact CB-CG1 4.47Å; V159-V234 HydrophobicContact CG2-CG1 3.54Å; V159-L242 HydrophobicContact CG1-CD1 4.11Å; V159-L242 HydrophobicContact CG2-CD1 3.63Å; V159-F261 HydrophobicContact CG1-CE2 3.69Å; V159-F261 HydrophobicContact CG1-CZ 4.37Å; V159-A263 HydrophobicContact CG2-CB 4.07Å |
| 160 | Y | 98.6 | Very high | 94.1 | Very high | 48 Ų | 48 | 44.8 Ų | 44.8 | 19% | 0.188 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 150.9 | -178.8 | 64.1 | -86 | 0 | 0 | 0 | 111 | A110 H111 Y158 Q230 Y260 F261 G262 V264 | A110-Y160 PolarHBondContact O-OH 2.83Å; H111-Y160 WeakPolarHBondContact CB-OH 3.46Å; H111-Y160 AromaticContact ND1-CE2 3.65Å; H111-Y160 AromaticContact ND1-CZ 3.74Å; H111-Y160 PolarHBondContact ND1-OH 3.05Å; Y158-Y160 AromaticContact CD1-CD1 3.94Å; Y158-Y160 HydrophobicContact CD1-CD1 3.94Å; Y158-Y160 AromaticContact CE1-CD1 3.89Å; Y158-Y160 HydrophobicContact CE1-CD1 3.89Å; Y158-Y160 HydrophobicContact CE1-CG 4.25Å; Y160-Q230 WeakPolarHBondContact CA-O 3.25Å; Y160-Y260 HydrophobicContact CD2-CD2 4.35Å; Y160-Y260 HydrophobicContact CD2-CE2 4.13Å; Y160-Y260 HydrophobicContact CE2-CD2 4.08Å; Y160-Y260 HydrophobicContact CE2-CE2 4.09Å; Y160-F261 VanDerWaalsContact O-CD2 3.31Å; Y160-F261 WeakPolarHBondContact O-CD2 3.45Å; Y160-G262 PolarHBondContact N-O 2.7Å; Y160-G262 PolarHBondContact O-N 3.07Å; Y160-G262 VanDerWaalsContact O-O 3.1Å; Y160-V264 HydrophobicContact CE1-CG2 4.45Å |
| 161 | V | 98.6 | Very high | 92.1 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 143.5 | 179.8 | 60 | 0 | 0 | 0 | 0 | 109.7 | T163 Q193 V195 Q229 Q230 V244 F261 | V161-T163 HydrophobicContact CG2-CG2 4.36Å; V161-Q193 HydrophobicContact CG1-CG 4.47Å; V161-V195 HydrophobicContact CB-CG2 4.27Å; V161-V195 HydrophobicContact CG1-CG2 3.46Å; V161-V195 VanDerWaalsContact CG1-CG2 3.46Å; V161-Q229 WeakPolarHBondContact O-CA 3.18Å; V161-Q229 WeakPolarHBondContact O-CG 3.3Å; V161-Q230 HydrophobicContact CG1-CG 3.68Å; V161-Q230 PolarHBondContact N-O 2.96Å; V161-Q230 PolarHBondContact O-N 3.07Å; V161-Q230 VanDerWaalsContact O-N 3.14Å; V161-V244 HydrophobicContact CG2-CG1 4.09Å; V161-V244 HydrophobicContact CG2-CG2 3.99Å; V161-F261 HydrophobicContact CB-CD2 4.04Å; V161-F261 HydrophobicContact CG2-CB 4.24Å; V161-F261 HydrophobicContact CG2-CD2 4.31Å |
| 162 | K | 98.4 | Very high | 89.4 | Confident | 46 Ų | 46 | 47.8 Ų | 47.8 | 20% | 0.2 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 132.1 | 168.6 | -174 | -170.9 | 171.1 | -164.9 | 0 | 108 | A228 Q229 E257 G258 T259 Y260 | K162-A228 WeakPolarHBondContact CA-O 3.48Å; K162-Q229 HydrophobicContact CB-CB 4.41Å; K162-Q229 HydrophobicContact CB-CG 4.26Å; K162-Q229 HydrophobicContact CG-CB 4.29Å; K162-E257 PolarHBondContact NZ-O 3.19Å; K162-G258 WeakPolarHBondContact CD-O 3.46Å; K162-G258 WeakPolarHBondContact CE-O 3.4Å; K162-G258 WeakPolarHBondContact CG-O 3.4Å; K162-T259 CarbonylContact O-C 3.55Å; K162-T259 WeakPolarHBondContact O-CA 3.39Å; K162-Y260 HydrophobicContact CB-CD1 4.4Å; K162-Y260 HydrophobicContact CB-CD2 4.14Å; K162-Y260 HydrophobicContact CB-CE1 4.02Å; K162-Y260 HydrophobicContact CB-CE2 3.7Å; K162-Y260 HydrophobicContact CB-CG 4.47Å; K162-Y260 HydrophobicContact CD-CD1 4.43Å; K162-Y260 HydrophobicContact CD-CE1 3.57Å; K162-Y260 WeakPolarHBondContact CD-OH 3.38Å; K162-Y260 HydrophobicContact CG-CE1 4.42Å; K162-Y260 PolarHBondContact N-O 3.15Å; K162-Y260 PolarHBondContact O-N 3.14Å |
| 163 | T | 98.3 | Very high | 86.9 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 128.7 | 171.2 | 54.5 | 0 | 0 | 0 | 0 | 108.3 | I130 V161 Q193 C227 A228 V246 L252 T259 | I130-T163 HydrophobicContact CD1-CG2 3.79Å; V161-T163 HydrophobicContact CG2-CG2 4.36Å; T163-Q193 HydrophobicContact CG2-CG 4.09Å; T163-Q193 PolarHBondContact OG1-NE2 2.91Å; T163-C227 WeakPolarHBondContact O-CA 3.49Å; T163-A228 PolarHBondContact N-O 2.04Å; T163-A228 PolarHBondContact O-N 3.04Å; T163-V246 HydrophobicContact CG2-CG1 3.99Å; T163-L252 HydrophobicContact CG2-CD1 4.14Å; T163-T259 HydrophobicContact CG2-CG2 3.97Å |
| 164 | C | 97.9 | Very high | 84.5 | Confident | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.014 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 142.7 | 169.7 | -68.1 | 0 | 0 | 0 | 0 | 109.7 | M225 Y226 C227 D253 G258 T259 | C164-M225 HydrophobicContact CB-CE 3.78Å; C164-M225 HydrophobicContact CB-SD 4.04Å; C164-Y226 CarbonylContact C-O 3.55Å; C164-Y226 WeakPolarHBondContact CA-O 3.45Å; C164-C227 HydrophobicContact CB-CB 4.15Å; C164-C227 WeakPolarHBondContact CB-SG 3.45Å; C164-C227 WeakPolarHBondContact SG-CB 3.42Å; C164-C227 CovalentContact SG-SG 2.04Å; C164-C227 PolarHBondContact SG-SG 2.83Å; C164-D253 HydrophobicContact CB-CB 3.92Å; C164-D253 WeakPolarHBondContact O-CB 3.5Å; C164-D253 PolarHBondContact O-N 2.94Å; C164-G258 PolarHBondContact N-O 2.92Å; C164-G258 PolarHBondContact SG-O 3.32Å; C164-T259 PolarHBondContact N-OG1 3.09Å |
| 165 | F | 95.9 | Very high | 82.1 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 126.2 | 174.5 | -61 | -92.5 | 0 | 0 | 0 | 107.9 | L191 W218 M225 Y226 V246 S247 L251 L252 | F165-L191 HydrophobicContact CB-CD1 4Å; F165-L191 HydrophobicContact CB-CD2 4.13Å; F165-L191 HydrophobicContact CD1-CB 4.48Å; F165-L191 HydrophobicContact CD1-CD2 3.81Å; F165-L191 HydrophobicContact CD2-CB 3.91Å; F165-L191 HydrophobicContact CE1-CD2 4.33Å; F165-L191 HydrophobicContact CE2-CB 4.02Å; F165-L191 HydrophobicContact CG-CB 4.14Å; F165-L191 HydrophobicContact CG-CD1 4.28Å; F165-L191 HydrophobicContact CG-CD2 3.93Å; F165-L191 HydrophobicContact CG-CG 4.33Å; F165-L191 HydrophobicContact CZ-CB 4.34Å; F165-W218 HydrophobicContact CB-CH2 3.89Å; F165-W218 WeakPolarHBondContact O-CH2 3.12Å; F165-M225 CarbonylContact O-C 3.33Å; F165-M225 VanDerWaalsContact O-CA 3.29Å; F165-M225 WeakPolarHBondContact O-CA 3.36Å; F165-Y226 AromaticContact CD2-CD1 3.88Å; F165-Y226 HydrophobicContact CD2-CD1 3.88Å; F165-Y226 HydrophobicContact CD2-CE1 4.44Å; F165-Y226 HydrophobicContact CE2-CD1 4.45Å; F165-Y226 PolarHBondContact N-O 2.97Å; F165-Y226 PolarHBondContact O-N 3.5Å; F165-V246 HydrophobicContact CE1-CB 4.15Å; F165-V246 HydrophobicContact CZ-CB 3.98Å; F165-V246 HydrophobicContact CZ-CG1 3.95Å; F165-S247 WeakPolarHBondContact CE1-O 3.39Å; F165-L251 CarbonylContact C-O 3.56Å; F165-L251 WeakPolarHBondContact CA-O 3.07Å; F165-L251 HydrophobicContact CB-CB 4.37Å; F165-L251 HydrophobicContact CD1-CB 4.17Å; F165-L252 HydrophobicContact CD1-CD1 4.37Å; F165-L252 HydrophobicContact CE1-CD1 4.12Å; F165-L252 HydrophobicContact CZ-CD1 4.42Å |
| 166 | R | 93.7 | Very high | 79.6 | Confident | 65 Ų | 65 | 59.7 Ų | 59.7 | 25% | 0.245 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 129.4 | -173.3 | -168.2 | 165.3 | 67.5 | 172 | -12.9 | 109.6 | Y168 Y223 N224 M225 L251 D253 E255 | R166-Y168 HydrophobicContact CG-CD1 4.39Å; R166-Y223 HydrophobicContact CG-CD2 4.46Å; R166-Y223 HydrophobicContact CG-CE2 3.53Å; R166-N224 WeakPolarHBondContact CA-O 3.35Å; R166-M225 HydrophobicContact CB-CE 4.45Å; R166-M225 HydrophobicContact CB-SD 3.73Å; R166-M225 HydrophobicContact CG-SD 4.08Å; R166-L251 PolarHBondContact N-O 2.92Å; R166-D253 HydrophobicContact CB-CB 4.16Å; R166-D253 IonicContact CZ-OD1 3.8Å; R166-D253 IonicContact CZ-OD2 3.15Å; R166-D253 IonicContact NE-OD1 3.59Å; R166-D253 PolarHBondContact NE-OD1 3.23Å; R166-D253 IonicContact NE-OD2 3.92Å; R166-D253 IonicContact NH1-OD1 2.75Å; R166-D253 IonicContact NH1-OD2 4Å; R166-D253 IonicContact NH2-OD1 3.32Å; R166-D253 PolarHBondContact NH2-OD1 3.29Å; R166-D253 IonicContact NH2-OD2 2.69Å; R166-E255 IonicContact CZ-OE1 3.43Å; R166-E255 IonicContact NH1-OE1 2.79Å; R166-E255 PolarHBondContact NH1-OE1 3.1Å; R166-E255 IonicContact NH2-OE1 2.71Å; R166-E255 PolarHBondContact NH2-OE1 3.03Å; R166-E255 VanDerWaalsContact NH2-OE1 3.15Å |
| 167 | Y | 91.8 | Very high | 77 | Confident | 15 Ų | 15 | 68.6 Ų | 68.6 | 6% | 0.059 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 134.2 | 170 | 177.5 | -97.4 | 0 | 0 | 0 | 108.9 | N169 V186 N220 Y223 N224 W250 L251 | Y167-N169 HydrophobicContact CE1-CB 4.23Å; Y167-V186 HydrophobicContact CD1-CG2 3.88Å; Y167-V186 HydrophobicContact CD2-CG1 3.79Å; Y167-V186 HydrophobicContact CD2-CG2 4.2Å; Y167-V186 HydrophobicContact CE1-CG2 3.88Å; Y167-V186 HydrophobicContact CE2-CG1 3.91Å; Y167-V186 HydrophobicContact CE2-CG2 4.18Å; Y167-V186 HydrophobicContact CG-CG1 4.29Å; Y167-V186 HydrophobicContact CG-CG2 4.02Å; Y167-N220 PolarHBondContact OH-O 3.07Å; Y167-Y223 CarbonylContact O-C 3.48Å; Y167-Y223 VanDerWaalsContact O-CA 3.31Å; Y167-Y223 WeakPolarHBondContact O-CA 3.47Å; Y167-N224 PolarHBondContact N-O 2.89Å; Y167-N224 PolarHBondContact O-N 3.2Å; Y167-W250 HydrophobicContact CD2-CH2 4.37Å; Y167-W250 HydrophobicContact CD2-CZ3 4.23Å; Y167-W250 HydrophobicContact CE2-CH2 4.49Å; Y167-W250 HydrophobicContact CE2-CZ3 4.45Å; Y167-L251 HydrophobicContact CD2-CD2 3.8Å; Y167-L251 HydrophobicContact CG-CD2 4.3Å |
| 168 | Y | 86.5 | Confident | 74.4 | Confident | 132 Ų | 132 | 76.9 Ų | 76.9 | 52% | 0.518 | 40% | 0.403 | S | S | . | . | trans | -144.9 | 133.1 | 168.9 | 59 | -74.9 | 0 | 0 | 0 | 108.5 | R166 I170 | R166-Y168 HydrophobicContact CG-CD1 4.39Å; Y168-I170 HydrophobicContact CD2-CD1 4.06Å; Y168-I170 HydrophobicContact CD2-CG1 3.41Å; Y168-I170 VanDerWaalsContact CD2-CG1 3.41Å; Y168-I170 HydrophobicContact CE2-CD1 3.36Å; Y168-I170 HydrophobicContact CE2-CG1 3.28Å; Y168-I170 PolarHBondContact O-N 2.93Å | ||
| 169 | N | 78.5 | Confident | 71.9 | Confident | 71 Ų | 71 | 76.9 Ų | 76.9 | 38% | 0.38 | 42% | 0.422 | S | S | . | . | trans | -87.5 | 101.8 | 175.7 | -171.1 | -14.7 | 0 | 0 | 0 | 107.7 | Y167 G171 N220 | Y167-N169 HydrophobicContact CE1-CB 4.23Å; N169-G171 PolarHBondContact O-N 3.28Å; N169-N220 PolarHBondContact ND2-O 3.43Å | ||
| 170 | I | 61.3 | Low | 69.3 | Low | 110 Ų | 110 | 88.6 Ų | 88.6 | 56% | 0.564 | 47% | 0.466 | S | S | * | . | trans | -74.8 | 85.2 | 170.7 | -49.2 | 175.8 | 0 | 0 | 0 | 107.2 | Y168 G172 | Y168-I170 HydrophobicContact CD2-CD1 4.06Å; Y168-I170 HydrophobicContact CD2-CG1 3.41Å; Y168-I170 VanDerWaalsContact CD2-CG1 3.41Å; Y168-I170 HydrophobicContact CE2-CD1 3.36Å; Y168-I170 HydrophobicContact CE2-CG1 3.28Å; Y168-I170 PolarHBondContact O-N 2.93Å; I170-G172 PolarHBondContact O-N 2.77Å | ||
| 171 | G | 55.2 | Low | 67.3 | Low | 73 Ų | 73 | 91.6 Ų | 91.6 | 75% | 0.753 | 49% | 0.49 | S | S | * | . | trans | -73.6 | 74.5 | 163.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | N169 | N169-G171 PolarHBondContact O-N 3.28Š| ||
| 172 | G | 41.4 | Very low | 65.5 | Low | 36 Ų | 36 | 102.2 Ų | 102.2 | 37% | 0.371 | 53% | 0.53 | S | S | . | . | trans | -82.3 | 141.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | I170 D174 | I170-G172 PolarHBondContact O-N 2.77Å; G172-D174 PolarHBondContact O-N 2.91Å; G172-D174 VanDerWaalsContact O-N 3.13Å | ||
| 173 | P | 44.5 | Very low | 64.1 | Low | 135 Ų | 135 | 103.7 Ų | 103.7 | 88% | 0.877 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -11.3 | 175.8 | -18.4 | 30.7 | 0 | 0 | 0 | 114.9 | ||
| 174 | D | 45.8 | Very low | 63 | Low | 160 Ų | 160 | 104.7 Ų | 104.7 | 86% | 0.856 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115 | 19.6 | -167.8 | -90 | -24.4 | 0 | 0 | 0 | 115.4 | G172 G176 | G172-D174 PolarHBondContact O-N 2.91Å; G172-D174 VanDerWaalsContact O-N 3.13Å; D174-G176 PolarHBondContact O-N 3.33Å; D174-G176 VanDerWaalsContact O-N 3.14Å |
| 175 | E | 47.8 | Very low | 62.3 | Low | 144 Ų | 144 | 109.6 Ų | 109.6 | 67% | 0.673 | 58% | 0.577 | S | S | * | * | trans | -86.3 | 45.4 | 163.9 | -69.6 | -163.8 | 177.1 | 0 | 0 | 112.1 | R177 | E175-R177 PolarHBondContact O-N 2.83Š| ||
| 176 | G | 44.7 | Very low | 62 | Low | 64 Ų | 64 | 109.7 Ų | 109.7 | 66% | 0.66 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | 78 | 161.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | D174 | D174-G176 PolarHBondContact O-N 3.33Å; D174-G176 VanDerWaalsContact O-N 3.14Å |
| 177 | R | 44.1 | Very low | 61.7 | Low | 247 Ų | 247 | 108.5 Ų | 108.5 | 93% | 0.932 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 169.5 | -0.8 | 146 | -90.8 | 155.7 | -166.5 | -125.9 | 4 | 117 | E175 | E175-R177 PolarHBondContact O-N 2.83Š|
| 178 | E | 43.5 | Very low | 61.6 | Low | 174 Ų | 174 | 115.6 Ų | 115.6 | 81% | 0.813 | 61% | 0.61 | S | S | * | * | trans | -123.8 | 23.8 | 171.4 | -79.4 | -169.6 | 158.4 | 0 | 0 | 114.7 | R180 | E178-R180 PolarHBondContact O-N 2.85Š| ||
| 179 | A | 44.4 | Very low | 61.8 | Low | 91 Ų | 91 | 109.6 Ų | 109.6 | 75% | 0.752 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | 70.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 180 | R | 44.6 | Very low | 62.5 | Low | 246 Ų | 246 | 111.7 Ų | 111.7 | 93% | 0.928 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.7 | -4.2 | 162.2 | -72.7 | -160.1 | 176.8 | -156.7 | 0.9 | 114.7 | E178 | E178-R180 PolarHBondContact O-N 2.85Š|
| 181 | T | 55.6 | Low | 64.1 | Low | 112 Ų | 112 | 106.5 Ų | 106.5 | 69% | 0.687 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -111.4 | 112.7 | 178.7 | -42 | 0 | 0 | 0 | 0 | 109.3 | ||
| 182 | R | 62.3 | Low | 66.1 | Low | 223 Ų | 223 | 104 Ų | 104 | 84% | 0.842 | 54% | 0.538 | S | S | * | . | P | Polyproline II helix | trans | -51.7 | 138.5 | 169.8 | -69.4 | -179.8 | -178 | 169.2 | 0.4 | 108.9 | ||
| 183 | P | 67.6 | Low | 68.8 | Low | 77 Ų | 77 | 102.3 Ų | 102.3 | 50% | 0.5 | 52% | 0.521 | S | S | . | . | P | Polyproline II helix | trans | -53.5 | 144.4 | 176.8 | 19.6 | -29.7 | 0 | 0 | 0 | 110 | D185 | P183-D185 PolarHBondContact O-N 2.88Š|
| 184 | P | 75.8 | Confident | 71.4 | Confident | 21 Ų | 21 | 97.5 Ų | 97.5 | 14% | 0.136 | 49% | 0.485 | C | S | . | . | P | Polyproline II helix | trans | -58 | 135.4 | 179 | -15.3 | 26.6 | 0 | 0 | 0 | 109.7 | K122 V186 W250 | K122-P184 HydrophobicContact CD-CG 4.1Å; P184-V186 PolarHBondContact O-N 2.83Å; P184-W250 HydrophobicContact CB-CH2 3.57Å; P184-W250 HydrophobicContact CB-CZ2 4Å; P184-W250 HydrophobicContact CB-CZ3 4.18Å; P184-W250 HydrophobicContact CG-CH2 3.94Å; P184-W250 HydrophobicContact CG-CZ3 4.03Å |
| 185 | D | 84.3 | Confident | 73.9 | Confident | 106 Ų | 106 | 89.9 Ų | 89.9 | 57% | 0.567 | 44% | 0.444 | S | S | * | . | trans | -73.6 | 115.7 | 176.3 | -177.9 | 18 | 0 | 0 | 0 | 109.8 | P183 S187 N220 | P183-D185 PolarHBondContact O-N 2.88Å; D185-S187 VanDerWaalsContact CG-OG 3.27Å; D185-S187 WeakPolarHBondContact OD1-CB 3.31Å; D185-S187 PolarHBondContact OD1-N 3.02Å; D185-S187 PolarHBondContact OD1-OG 3.22Å; D185-S187 PolarHBondContact OD2-OG 2.96Å; D185-S187 VanDerWaalsContact OD2-OG 3.08Å; D185-N220 PolarHBondContact OD1-ND2 2.87Å | ||
| 186 | V | 87.9 | Confident | 76.3 | Confident | 1 Ų | 1 | 84.6 Ų | 84.6 | 1% | 0.006 | 42% | 0.418 | C | S | . | . | trans | -105.3 | 7.5 | 176.2 | -62.5 | 0 | 0 | 0 | 0 | 112.7 | Y167 P184 K188 A189 W218 N220 W250 L251 | Y167-V186 HydrophobicContact CD1-CG2 3.88Å; Y167-V186 HydrophobicContact CD2-CG1 3.79Å; Y167-V186 HydrophobicContact CD2-CG2 4.2Å; Y167-V186 HydrophobicContact CE1-CG2 3.88Å; Y167-V186 HydrophobicContact CE2-CG1 3.91Å; Y167-V186 HydrophobicContact CE2-CG2 4.18Å; Y167-V186 HydrophobicContact CG-CG1 4.29Å; Y167-V186 HydrophobicContact CG-CG2 4.02Å; P184-V186 PolarHBondContact O-N 2.83Å; V186-K188 PolarHBondContact O-N 2.82Å; V186-A189 HydrophobicContact CB-CB 4.47Å; V186-A189 PolarHBondContact O-N 3.03Å; V186-W218 HydrophobicContact CB-CB 4.32Å; V186-W218 HydrophobicContact CB-CE3 4.16Å; V186-W218 HydrophobicContact CG2-CB 3.9Å; V186-W218 HydrophobicContact CG2-CE3 4.33Å; V186-W218 WeakPolarHBondContact O-CB 3.33Å; V186-N220 WeakPolarHBondContact CG2-OD1 3.32Å; V186-N220 PolarHBondContact N-OD1 3Å; V186-W250 HydrophobicContact CG1-CH2 3.39Å; V186-W250 HydrophobicContact CG1-CZ2 3.9Å; V186-W250 HydrophobicContact CG1-CZ3 4.45Å; V186-L251 HydrophobicContact CG1-CD1 4.25Å; V186-L251 HydrophobicContact CG1-CD2 4.29Å | ||
| 187 | S | 87.5 | Confident | 78.8 | Confident | 41 Ų | 41 | 82.3 Ų | 82.3 | 29% | 0.287 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -20.9 | -176.2 | 66.4 | 0 | 0 | 0 | 0 | 114.7 | D185 Q217 W218 N220 | D185-S187 VanDerWaalsContact CG-OG 3.27Å; D185-S187 WeakPolarHBondContact OD1-CB 3.31Å; D185-S187 PolarHBondContact OD1-N 3.02Å; D185-S187 PolarHBondContact OD1-OG 3.22Å; D185-S187 PolarHBondContact OD2-OG 2.96Å; D185-S187 VanDerWaalsContact OD2-OG 3.08Å; S187-Q217 VanDerWaalsContact O-CA 3.31Å; S187-Q217 WeakPolarHBondContact O-CA 3.27Å; S187-W218 WeakPolarHBondContact CA-O 3.42Å; S187-N220 PolarHBondContact N-OD1 2.86Å |
| 188 | K | 89.5 | Confident | 81.3 | Confident | 163 Ų | 163 | 73.7 Ų | 73.7 | 71% | 0.709 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.9 | 49.6 | 175.7 | -63.2 | -179.1 | -176.4 | 173.3 | 0 | 111.4 | V186 Q190 K216 | V186-K188 PolarHBondContact O-N 2.82Å; K188-Q190 PolarHBondContact O-N 3.17Å; K188-K216 CarbonylContact C-O 3.52Å; K188-K216 WeakPolarHBondContact CA-O 3.09Å |
| 189 | A | 90.9 | Very high | 83.7 | Confident | 7 Ų | 7 | 66 Ų | 66 | 6% | 0.058 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 122.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | V186 L191 T215 K216 W218 L251 | V186-A189 HydrophobicContact CB-CB 4.47Å; V186-A189 PolarHBondContact O-N 3.03Å; A189-L191 HydrophobicContact CB-CD1 4.46Å; A189-L191 HydrophobicContact CB-CD2 4.01Å; A189-L191 HydrophobicContact CB-CG 4.14Å; A189-T215 CarbonylContact O-C 3.53Å; A189-T215 WeakPolarHBondContact O-CA 3.42Å; A189-K216 PolarHBondContact N-O 3.33Å; A189-K216 VanDerWaalsContact N-O 3.09Å; A189-K216 PolarHBondContact O-N 2.86Å; A189-W218 HydrophobicContact CB-CE3 4.28Å; A189-L251 HydrophobicContact CB-CD1 4.27Å |
| 190 | Q | 93.9 | Very high | 86 | Confident | 115 Ų | 115 | 65.6 Ų | 65.6 | 54% | 0.537 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 110.7 | 170.7 | -67.1 | -173.5 | -5.9 | 0 | 0 | 109.5 | K188 T215 S247 N248 | K188-Q190 PolarHBondContact O-N 3.17Å; Q190-T215 HydrophobicContact CG-CG2 4.19Å; Q190-S247 PolarHBondContact O-OG 3.32Å; Q190-N248 PolarHBondContact O-ND2 2.75Å |
| 191 | L | 95.6 | Very high | 88.3 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 90.7 | -172.2 | -53.7 | 175.7 | 0 | 0 | 0 | 108.1 | F165 A189 G213 S214 K216 W218 Y226 N248 L251 | F165-L191 HydrophobicContact CB-CD1 4Å; F165-L191 HydrophobicContact CB-CD2 4.13Å; F165-L191 HydrophobicContact CD1-CB 4.48Å; F165-L191 HydrophobicContact CD1-CD2 3.81Å; F165-L191 HydrophobicContact CD2-CB 3.91Å; F165-L191 HydrophobicContact CE1-CD2 4.33Å; F165-L191 HydrophobicContact CE2-CB 4.02Å; F165-L191 HydrophobicContact CG-CB 4.14Å; F165-L191 HydrophobicContact CG-CD1 4.28Å; F165-L191 HydrophobicContact CG-CD2 3.93Å; F165-L191 HydrophobicContact CG-CG 4.33Å; F165-L191 HydrophobicContact CZ-CB 4.34Å; A189-L191 HydrophobicContact CB-CD1 4.46Å; A189-L191 HydrophobicContact CB-CD2 4.01Å; A189-L191 HydrophobicContact CB-CG 4.14Å; L191-G213 CarbonylContact O-C 3.56Å; L191-G213 WeakPolarHBondContact O-CA 3.25Å; L191-S214 PolarHBondContact N-O 2.82Å; L191-S214 PolarHBondContact O-N 3.02Å; L191-K216 HydrophobicContact CD1-CB 4.28Å; L191-K216 HydrophobicContact CD1-CG 3.82Å; L191-W218 HydrophobicContact CD1-CH2 3.36Å; L191-W218 HydrophobicContact CD1-CZ2 3.25Å; L191-W218 HydrophobicContact CD1-CZ3 4.07Å; L191-W218 HydrophobicContact CD2-CH2 4.49Å; L191-Y226 HydrophobicContact CB-CD1 3.63Å; L191-Y226 HydrophobicContact CB-CE1 3.86Å; L191-Y226 HydrophobicContact CD1-CD1 3.67Å; L191-Y226 HydrophobicContact CD1-CG 4.16Å; L191-Y226 HydrophobicContact CG-CD1 4.32Å; L191-N248 HydrophobicContact CD2-CB 4.22Å; L191-L251 HydrophobicContact CD2-CD1 3.81Å |
| 192 | I | 97.3 | Very high | 90 | Very high | 22 Ų | 22 | 61.3 Ų | 61.3 | 11% | 0.113 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 132.8 | -169.4 | -43.5 | -63.9 | 0 | 0 | 0 | 109.3 | Y194 K211 T212 V246 S247 | I192-Y194 HydrophobicContact CB-CD2 4.44Å; I192-Y194 HydrophobicContact CB-CE2 3.65Å; I192-Y194 HydrophobicContact CG2-CD2 3.94Å; I192-Y194 HydrophobicContact CG2-CE1 4.32Å; I192-Y194 HydrophobicContact CG2-CE2 3.24Å; I192-Y194 VanDerWaalsContact CG2-CZ 3.46Å; I192-K211 HydrophobicContact CG2-CD 4.46Å; I192-K211 HydrophobicContact CG2-CG 4.02Å; I192-T212 WeakPolarHBondContact CG2-O 3.26Å; I192-V246 VanDerWaalsContact O-CA 3.26Å; I192-V246 WeakPolarHBondContact O-CA 3.49Å; I192-S247 PolarHBondContact N-OG 2.86Å; I192-S247 PolarHBondContact O-N 3.22Å |
| 193 | Q | 98.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 132 | 177.9 | -179.1 | -160.7 | 77.3 | 0 | 0 | 109.5 | V161 T163 K211 T212 A228 V244 V246 | V161-Q193 HydrophobicContact CG1-CG 4.47Å; T163-Q193 HydrophobicContact CG2-CG 4.09Å; T163-Q193 PolarHBondContact OG1-NE2 2.91Å; Q193-K211 WeakPolarHBondContact O-CA 3.4Å; Q193-T212 HydrophobicContact CB-CG2 4.15Å; Q193-T212 PolarHBondContact N-O 2.77Å; Q193-T212 PolarHBondContact O-N 2.7Å; Q193-A228 PolarHBondContact NE2-O 3.24Å; Q193-V244 HydrophobicContact CG-CG1 4.09Å; Q193-V246 HydrophobicContact CB-CG1 4.29Å; Q193-V246 HydrophobicContact CG-CG1 4.33Å |
| 194 | Y | 98.2 | Very high | 92.4 | Very high | 34 Ų | 34 | 57.3 Ų | 57.3 | 13% | 0.133 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 133.9 | 179.6 | -59.1 | -107 | 0 | 0 | 0 | 109.2 | M127 I192 Y196 L208 K211 V244 E245 | M127-Y194 HydrophobicContact CE-CD2 3.08Å; M127-Y194 HydrophobicContact CE-CE2 3.18Å; M127-Y194 HydrophobicContact CE-CG 4.08Å; M127-Y194 HydrophobicContact SD-CD2 4.03Å; M127-Y194 HydrophobicContact SD-CE2 3.47Å; M127-Y194 WeakPolarHBondContact SD-CE2 3.42Å; I192-Y194 HydrophobicContact CB-CD2 4.44Å; I192-Y194 HydrophobicContact CB-CE2 3.65Å; I192-Y194 HydrophobicContact CG2-CD2 3.94Å; I192-Y194 HydrophobicContact CG2-CE1 4.32Å; I192-Y194 HydrophobicContact CG2-CE2 3.24Å; I192-Y194 VanDerWaalsContact CG2-CZ 3.46Å; Y194-Y196 HydrophobicContact CD1-CE2 4.41Å; Y194-Y196 HydrophobicContact CG-CE2 4.11Å; Y194-L208 HydrophobicContact CD1-CD1 3.82Å; Y194-L208 HydrophobicContact CG-CD1 4.43Å; Y194-K211 HydrophobicContact CD1-CB 4.19Å; Y194-K211 HydrophobicContact CD1-CD 3.93Å; Y194-K211 HydrophobicContact CD1-CG 3.79Å; Y194-K211 HydrophobicContact CE1-CB 4.5Å; Y194-K211 HydrophobicContact CE1-CD 3.39Å; Y194-K211 HydrophobicContact CE1-CG 3.69Å; Y194-K211 HydrophobicContact CG-CG 4.43Å; Y194-K211 VanDerWaalsContact CZ-CE 3.47Å; Y194-K211 VanDerWaalsContact OH-CE 3.24Å; Y194-K211 WeakPolarHBondContact OH-CE 3.22Å; Y194-K211 PolarHBondContact OH-NZ 3.3Å; Y194-V244 CarbonylContact O-C 3.59Å; Y194-V244 VanDerWaalsContact O-CA 3.3Å; Y194-V244 WeakPolarHBondContact O-CA 3.36Å; Y194-V244 WeakPolarHBondContact O-CG1 3.09Å; Y194-E245 PolarHBondContact N-O 3.02Å; Y194-E245 PolarHBondContact O-N 2.8Å |
| 195 | V | 98.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 122.5 | 170.9 | -174.8 | 0 | 0 | 0 | 0 | 108.2 | V159 V161 L209 M210 V244 | V159-V195 HydrophobicContact CG1-CG1 4.28Å; V161-V195 HydrophobicContact CB-CG2 4.27Å; V161-V195 HydrophobicContact CG1-CG2 3.46Å; V161-V195 VanDerWaalsContact CG1-CG2 3.46Å; V195-L209 WeakPolarHBondContact O-CB 3.15Å; V195-L209 PolarHBondContact O-N 2.79Å; V195-M210 HydrophobicContact CB-CB 4.25Å; V195-M210 HydrophobicContact CB-CE 3.76Å; V195-M210 HydrophobicContact CG1-CE 3.77Å; V195-M210 HydrophobicContact CG2-CB 4.48Å; V195-M210 HydrophobicContact CG2-CE 3.79Å; V195-M210 PolarHBondContact N-O 2.68Å; V195-M210 PolarHBondContact O-N 2.89Å; V195-V244 HydrophobicContact CG2-CG2 4.37Å |
| 196 | Y | 98.2 | Very high | 93.8 | Very high | 32 Ų | 32 | 63.5 Ų | 63.5 | 13% | 0.125 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 158.1 | -178.5 | -69.9 | -80.2 | 0 | 0 | 0 | 111.4 | Y194 K206 V207 L208 L242 F243 E245 | Y194-Y196 HydrophobicContact CD1-CE2 4.41Å; Y194-Y196 HydrophobicContact CG-CE2 4.11Å; Y196-K206 HydrophobicContact CD1-CD 4.08Å; Y196-K206 HydrophobicContact CD1-CG 3.63Å; Y196-K206 HydrophobicContact CE1-CD 4.29Å; Y196-K206 HydrophobicContact CE1-CG 4.17Å; Y196-K206 HydrophobicContact CG-CD 4.37Å; Y196-K206 VanDerWaalsContact CG-CE 3.43Å; Y196-K206 HydrophobicContact CG-CG 4.12Å; Y196-V207 CarbonylContact C-O 3.55Å; Y196-V207 WeakPolarHBondContact CA-O 3.47Å; Y196-L208 HydrophobicContact CD1-CB 4.04Å; Y196-L208 HydrophobicContact CD1-CD1 4.02Å; Y196-L208 HydrophobicContact CE1-CB 3.77Å; Y196-L208 HydrophobicContact CE1-CD1 3.62Å; Y196-L208 HydrophobicContact CE1-CG 4.27Å; Y196-L208 HydrophobicContact CE2-CD1 4.4Å; Y196-L242 WeakPolarHBondContact O-CA 3.44Å; Y196-F243 HydrophobicContact CD2-CD2 4.37Å; Y196-F243 AromaticContact CD2-CE2 3.78Å; Y196-F243 HydrophobicContact CD2-CE2 3.78Å; Y196-F243 HydrophobicContact CD2-CZ 4.13Å; Y196-F243 HydrophobicContact CG-CE1 4.38Å; Y196-F243 AromaticContact CG-CE2 3.95Å; Y196-F243 HydrophobicContact CG-CE2 3.95Å; Y196-F243 AromaticContact CG-CZ 3.81Å; Y196-F243 HydrophobicContact CG-CZ 3.81Å; Y196-F243 PolarHBondContact N-O 3.47Å; Y196-F243 PolarHBondContact O-N 3.12Å; Y196-E245 HydrophobicContact CD2-CB 4.39Å; Y196-E245 HydrophobicContact CD2-CG 4.2Å; Y196-E245 HydrophobicContact CE2-CB 4.07Å; Y196-E245 HydrophobicContact CE2-CG 4.16Å; Y196-E245 WeakPolarHBondContact CE2-OE2 3.08Å |
| 197 | H | 96.6 | Very high | 94.2 | Very high | 17 Ų | 17 | 66 Ų | 66 | 8% | 0.079 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 129.9 | 174.8 | 166.1 | -151.8 | 0 | 0 | 0 | 108.7 | S199 K206 V207 L209 D240 A241 L242 | H197-S199 WeakPolarHBondContact NE2-CA 3.12Å; H197-K206 CarbonylContact O-C 3.55Å; H197-V207 PolarHBondContact N-O 3.09Å; H197-V207 PolarHBondContact O-N 3.18Å; H197-L209 HydrophobicContact CB-CD1 3.71Å; H197-L209 HydrophobicContact CB-CD2 3.81Å; H197-L209 HydrophobicContact CB-CG 3.61Å; H197-D240 IonicContact CE1-OD2 2.7Å; H197-D240 PolarHBondContact CE1-OD2 2.9Å; H197-D240 WeakPolarHBondContact NE2-CB 3.39Å; H197-D240 IonicContact NE2-OD1 2.97Å; H197-D240 PolarHBondContact NE2-OD1 3.22Å; H197-D240 IonicContact NE2-OD2 2.81Å; H197-D240 PolarHBondContact NE2-OD2 3.05Å; H197-A241 CarbonylContact C-O 3.57Å; H197-A241 VanDerWaalsContact CA-O 3.31Å; H197-A241 WeakPolarHBondContact CA-O 3.47Å; H197-L242 HydrophobicContact CB-CD2 4.09Å |
| 198 | K | 97.5 | Very high | 94.6 | Very high | 66 Ų | 66 | 67.8 Ų | 67.8 | 29% | 0.287 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 114.5 | 164.2 | -57 | -179.9 | 177.5 | 155.2 | 0 | 108.4 | N148 R205 D240 A241 F243 | N148-K198 PolarHBondContact OD1-NZ 2.88Å; K198-R205 WeakPolarHBondContact CA-O 3.26Å; K198-D240 WeakPolarHBondContact O-CA 3.31Å; K198-A241 HydrophobicContact CB-CB 4.19Å; K198-A241 PolarHBondContact N-O 2.9Å; K198-A241 PolarHBondContact O-N 2.78Å; K198-F243 HydrophobicContact CD-CD1 4.5Å; K198-F243 HydrophobicContact CD-CE1 4.13Å; K198-F243 HydrophobicContact CG-CD1 4.13Å; K198-F243 HydrophobicContact CG-CE1 3.55Å; K198-F243 HydrophobicContact CG-CZ 4.47Å |
| 199 | S | 94.1 | Very high | 95 | Very high | 11 Ų | 11 | 61 Ų | 61 | 8% | 0.077 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 121.8 | 179.5 | -178.4 | 0 | 0 | 0 | 0 | 111.1 | H197 K201 Q202 S204 R205 D240 | H197-S199 WeakPolarHBondContact NE2-CA 3.12Å; S199-K201 PolarHBondContact O-N 2.81Å; S199-Q202 CarbonylContact O-C 3.46Å; S199-Q202 PolarHBondContact O-N 3.42Å; S199-Q202 VanDerWaalsContact O-N 3.1Å; S199-S204 VanDerWaalsContact O-CA 3.22Å; S199-S204 WeakPolarHBondContact O-CA 3.39Å; S199-S204 PolarHBondContact O-N 2.71Å; S199-R205 PolarHBondContact N-O 2.81Å; S199-D240 VanDerWaalsContact CA-OD1 3.26Å; S199-D240 WeakPolarHBondContact CA-OD1 3.46Å |
| 200 | I | 92.8 | Very high | 95.3 | Very high | 83 Ų | 83 | 61.5 Ų | 61.5 | 43% | 0.426 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -62.3 | -36.8 | 177.5 | -167 | 62.9 | 0 | 0 | 0 | 111.3 | Q202 N203 V237 E238 D240 | I200-Q202 PolarHBondContact O-N 3.31Å; I200-N203 PolarHBondContact O-N 3.47Å; I200-V237 HydrophobicContact CG2-CG2 3.73Å; I200-E238 WeakPolarHBondContact CG2-O 3.42Å; I200-D240 WeakPolarHBondContact CG2-OD1 3.47Å; I200-D240 PolarHBondContact N-OD1 2.84Å |
| 201 | K | 91.7 | Very high | 95.5 | Very high | 167 Ų | 167 | 61.7 Ų | 61.7 | 73% | 0.726 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -65.1 | -24.4 | 177.6 | -69.8 | -178.5 | 174.7 | -180 | 0 | 113.2 | S199 V237 | S199-K201 PolarHBondContact O-N 2.81Å; K201-V237 HydrophobicContact CD-CG1 4.5Å; K201-V237 HydrophobicContact CD-CG2 4.19Å; K201-V237 HydrophobicContact CG-CG2 4.18Å |
| 202 | Q | 91.6 | Very high | 95.6 | Very high | 102 Ų | 102 | 63.8 Ų | 63.8 | 48% | 0.477 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -106.6 | 35.6 | -179.7 | -57 | -174.8 | 13.7 | 0 | 0 | 111.5 | S199 I200 S204 R205 | S199-Q202 CarbonylContact O-C 3.46Å; S199-Q202 PolarHBondContact O-N 3.42Å; S199-Q202 VanDerWaalsContact O-N 3.1Å; I200-Q202 PolarHBondContact O-N 3.31Å; Q202-S204 VanDerWaalsContact C-N 3.28Å; Q202-S204 PolarHBondContact O-N 3.03Å; Q202-R205 HydrophobicContact CB-CB 3.93Å; Q202-R205 VanDerWaalsContact O-CB 3.23Å; Q202-R205 WeakPolarHBondContact O-CB 3.38Å; Q202-R205 PolarHBondContact O-N 3.18Å; Q202-R205 VanDerWaalsContact O-N 3.07Å |
| 203 | N | 91.4 | Very high | 95.5 | Very high | 153 Ų | 153 | 64.1 Ų | 64.1 | 82% | 0.818 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 46.1 | -179.7 | -165.6 | 17 | 0 | 0 | 0 | 112.3 | I200 R205 | I200-N203 PolarHBondContact O-N 3.47Å; N203-R205 PolarHBondContact O-N 3Å |
| 204 | S | 89.4 | Confident | 95.4 | Very high | 63 Ų | 63 | 66.2 Ų | 66.2 | 44% | 0.441 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.1 | 26.5 | -179.4 | -59.3 | 0 | 0 | 0 | 0 | 114.8 | S199 Q202 K206 | S199-S204 VanDerWaalsContact O-CA 3.22Å; S199-S204 WeakPolarHBondContact O-CA 3.39Å; S199-S204 PolarHBondContact O-N 2.71Å; Q202-S204 VanDerWaalsContact C-N 3.28Å; Q202-S204 PolarHBondContact O-N 3.03Å; S204-K206 PolarHBondContact O-N 3.31Å |
| 205 | R | 93.6 | Very high | 95.2 | Very high | 165 Ų | 165 | 68.3 Ų | 68.3 | 62% | 0.623 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57.6 | 129.2 | 175 | -179.1 | 179.9 | 179.1 | -178.1 | 2.2 | 111 | K198 S199 Q202 N203 V207 | K198-R205 WeakPolarHBondContact CA-O 3.26Å; S199-R205 PolarHBondContact N-O 2.81Å; Q202-R205 HydrophobicContact CB-CB 3.93Å; Q202-R205 VanDerWaalsContact O-CB 3.23Å; Q202-R205 WeakPolarHBondContact O-CB 3.38Å; Q202-R205 PolarHBondContact O-N 3.18Å; Q202-R205 VanDerWaalsContact O-N 3.07Å; N203-R205 PolarHBondContact O-N 3Å; R205-V207 HydrophobicContact CG-CG2 4.46Å |
| 206 | K | 95.1 | Very high | 95 | Very high | 92 Ų | 92 | 71.4 Ų | 71.4 | 40% | 0.4 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 123.8 | 172.1 | 177.7 | 174.5 | -179.5 | 177.8 | 0 | 110.8 | Y196 H197 S204 F243 E245 | Y196-K206 HydrophobicContact CD1-CD 4.08Å; Y196-K206 HydrophobicContact CD1-CG 3.63Å; Y196-K206 HydrophobicContact CE1-CD 4.29Å; Y196-K206 HydrophobicContact CE1-CG 4.17Å; Y196-K206 HydrophobicContact CG-CD 4.37Å; Y196-K206 VanDerWaalsContact CG-CE 3.43Å; Y196-K206 HydrophobicContact CG-CG 4.12Å; H197-K206 CarbonylContact O-C 3.55Å; S204-K206 PolarHBondContact O-N 3.31Å; K206-F243 HydrophobicContact CD-CE2 4.37Å; K206-F243 HydrophobicContact CD-CZ 3.74Å; K206-F243 HydrophobicContact CG-CE1 4.48Å; K206-F243 HydrophobicContact CG-CZ 3.82Å; K206-E245 IonicContact NZ-OE1 3.24Å; K206-E245 PolarHBondContact NZ-OE1 2.92Å; K206-E245 IonicContact NZ-OE2 3.46Å; K206-E245 PolarHBondContact NZ-OE2 2.81Å |
| 207 | V | 95.9 | Very high | 94.8 | Very high | 52 Ų | 52 | 78.6 Ų | 78.6 | 32% | 0.315 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 130.4 | 178.6 | -178.1 | 0 | 0 | 0 | 0 | 109.3 | Y196 H197 R205 | Y196-V207 CarbonylContact C-O 3.55Å; Y196-V207 WeakPolarHBondContact CA-O 3.47Å; H197-V207 PolarHBondContact N-O 3.09Å; H197-V207 PolarHBondContact O-N 3.18Å; R205-V207 HydrophobicContact CG-CG2 4.46Å |
| 208 | L | 97.4 | Very high | 94.5 | Very high | 79 Ų | 79 | 78.8 Ų | 78.8 | 41% | 0.414 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 123.6 | 175.9 | -179 | 64.2 | 0 | 0 | 0 | 110.1 | Y194 Y196 M210 K211 | Y194-L208 HydrophobicContact CD1-CD1 3.82Å; Y194-L208 HydrophobicContact CG-CD1 4.43Å; Y196-L208 HydrophobicContact CD1-CB 4.04Å; Y196-L208 HydrophobicContact CD1-CD1 4.02Å; Y196-L208 HydrophobicContact CE1-CB 3.77Å; Y196-L208 HydrophobicContact CE1-CD1 3.62Å; Y196-L208 HydrophobicContact CE1-CG 4.27Å; Y196-L208 HydrophobicContact CE2-CD1 4.4Å; L208-M210 WeakPolarHBondContact CD1-O 3.16Å; L208-K211 HydrophobicContact CD1-CB 4.49Å; L208-K211 HydrophobicContact CD2-CB 4.3Å |
| 209 | L | 97 | Very high | 93.8 | Very high | 21 Ų | 21 | 79.4 Ų | 79.4 | 11% | 0.11 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | -44.5 | 176.1 | -66.8 | -172.7 | 0 | 0 | 0 | 112.7 | V195 H197 R232 V234 L242 | V195-L209 WeakPolarHBondContact O-CB 3.15Å; V195-L209 PolarHBondContact O-N 2.79Å; H197-L209 HydrophobicContact CB-CD1 3.71Å; H197-L209 HydrophobicContact CB-CD2 3.81Å; H197-L209 HydrophobicContact CB-CG 3.61Å; L209-R232 PolarHBondContact O-NH1 2.85Å; L209-V234 HydrophobicContact CD1-CG1 4.21Å; L209-V234 HydrophobicContact CD1-CG2 4.23Å; L209-V234 HydrophobicContact CD2-CG2 4.04Å; L209-L242 HydrophobicContact CD1-CD2 3.65Å |
| 210 | M | 97.5 | Very high | 93.2 | Very high | 18 Ų | 18 | 81.2 Ų | 81.2 | 9% | 0.089 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 147.2 | -173.9 | -55.1 | 178.8 | -83.7 | 0 | 0 | 110.3 | V159 V195 L208 Q230 R232 | V159-M210 HydrophobicContact CB-CE 4.3Å; V159-M210 HydrophobicContact CG1-CE 3.98Å; V195-M210 HydrophobicContact CB-CB 4.25Å; V195-M210 HydrophobicContact CB-CE 3.76Å; V195-M210 HydrophobicContact CG1-CE 3.77Å; V195-M210 HydrophobicContact CG2-CB 4.48Å; V195-M210 HydrophobicContact CG2-CE 3.79Å; V195-M210 PolarHBondContact N-O 2.68Å; V195-M210 PolarHBondContact O-N 2.89Å; L208-M210 WeakPolarHBondContact CD1-O 3.16Å; M210-Q230 HydrophobicContact CB-CG 4.32Å; M210-Q230 VanDerWaalsContact CB-OE1 3.28Å; M210-Q230 HydrophobicContact SD-CG 4.14Å; M210-R232 HydrophobicContact CE-CB 4.2Å; M210-R232 HydrophobicContact CG-CB 3.82Å; M210-R232 HydrophobicContact SD-CB 3.27Å; M210-R232 WeakPolarHBondContact SD-CB 3.34Å |
| 211 | K | 97.7 | Very high | 92.5 | Very high | 119 Ų | 119 | 82.3 Ų | 82.3 | 52% | 0.517 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 130.1 | 176.6 | 179.2 | -175.4 | 179.9 | 171.8 | 0 | 108.5 | I192 Q193 Y194 L208 Q230 | I192-K211 HydrophobicContact CG2-CD 4.46Å; I192-K211 HydrophobicContact CG2-CG 4.02Å; Q193-K211 WeakPolarHBondContact O-CA 3.4Å; Y194-K211 HydrophobicContact CD1-CB 4.19Å; Y194-K211 HydrophobicContact CD1-CD 3.93Å; Y194-K211 HydrophobicContact CD1-CG 3.79Å; Y194-K211 HydrophobicContact CE1-CB 4.5Å; Y194-K211 HydrophobicContact CE1-CD 3.39Å; Y194-K211 HydrophobicContact CE1-CG 3.69Å; Y194-K211 HydrophobicContact CG-CG 4.43Å; Y194-K211 VanDerWaalsContact CZ-CE 3.47Å; Y194-K211 VanDerWaalsContact OH-CE 3.24Å; Y194-K211 WeakPolarHBondContact OH-CE 3.22Å; Y194-K211 PolarHBondContact OH-NZ 3.3Å; L208-K211 HydrophobicContact CD1-CB 4.49Å; L208-K211 HydrophobicContact CD2-CB 4.3Å; K211-Q230 VanDerWaalsContact C-OE1 3.3Å |
| 212 | T | 97.8 | Very high | 92 | Very high | 44 Ų | 44 | 76.7 Ų | 76.7 | 27% | 0.27 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 161 | 173.9 | -169 | 0 | 0 | 0 | 0 | 109.4 | I192 Q193 A228 Q230 | I192-T212 WeakPolarHBondContact CG2-O 3.26Å; Q193-T212 HydrophobicContact CB-CG2 4.15Å; Q193-T212 PolarHBondContact N-O 2.77Å; Q193-T212 PolarHBondContact O-N 2.7Å; T212-A228 HydrophobicContact CG2-CB 3.93Å; T212-Q230 HydrophobicContact CG2-CB 4.22Å; T212-Q230 VanDerWaalsContact CG2-CD 3.44Å; T212-Q230 HydrophobicContact CG2-CG 3.99Å |
| 213 | G | 96 | Very high | 91.9 | Very high | 29 Ų | 29 | 78 Ų | 78 | 30% | 0.299 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 150.9 | -178.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L191 Y226 | L191-G213 CarbonylContact O-C 3.56Å; L191-G213 WeakPolarHBondContact O-CA 3.25Å; G213-Y226 VanDerWaalsContact CA-OH 3.32Å; G213-Y226 WeakPolarHBondContact CA-OH 3.22Å |
| 214 | S | 95.3 | Very high | 92 | Very high | 44 Ų | 44 | 71.8 Ų | 71.8 | 31% | 0.308 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 159.2 | 178.1 | -166.7 | 0 | 0 | 0 | 0 | 111.6 | L191 | L191-S214 PolarHBondContact N-O 2.82Å; L191-S214 PolarHBondContact O-N 3.02Å |
| 215 | T | 95.1 | Very high | 92.2 | Very high | 78 Ų | 78 | 72.1 Ų | 72.1 | 48% | 0.479 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 119.2 | 161.8 | -55.5 | 0 | 0 | 0 | 0 | 107.5 | A189 Q190 | A189-T215 CarbonylContact O-C 3.53Å; A189-T215 WeakPolarHBondContact O-CA 3.42Å; Q190-T215 HydrophobicContact CG-CG2 4.19Å |
| 216 | K | 94.1 | Very high | 92.4 | Very high | 64 Ų | 64 | 66 Ų | 66 | 28% | 0.278 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 140.3 | -179 | -64.5 | -58.4 | -170.4 | -178.6 | 0 | 111.2 | K188 A189 L191 W218 Y226 | K188-K216 CarbonylContact C-O 3.52Å; K188-K216 WeakPolarHBondContact CA-O 3.09Å; A189-K216 PolarHBondContact N-O 3.33Å; A189-K216 VanDerWaalsContact N-O 3.09Å; A189-K216 PolarHBondContact O-N 2.86Å; L191-K216 HydrophobicContact CD1-CB 4.28Å; L191-K216 HydrophobicContact CD1-CG 3.82Å; K216-W218 VanDerWaalsContact CB-CD1 3.49Å; K216-W218 HydrophobicContact CB-CD2 4.3Å; K216-W218 HydrophobicContact CB-CG 4.09Å; K216-W218 VanDerWaalsContact CB-NE1 3.32Å; K216-Y226 HydrophobicContact CG-CG 4.36Å |
| 217 | Q | 92.5 | Very high | 92.5 | Very high | 183 Ų | 183 | 64.3 Ų | 64.3 | 86% | 0.855 | 34% | 0.343 | S | S | * | . | trans | -93.4 | 94.3 | 167.3 | -64.2 | -176.1 | 21.9 | 0 | 0 | 108 | S187 | S187-Q217 VanDerWaalsContact O-CA 3.31Å; S187-Q217 WeakPolarHBondContact O-CA 3.27Å | ||
| 218 | W | 91.1 | Very high | 92.5 | Very high | 22 Ų | 22 | 62 Ų | 62 | 8% | 0.083 | 33% | 0.329 | C | S | . | . | trans | -98.5 | 147.1 | -178 | -74.3 | -9 | 0 | 0 | 0 | 111.9 | F165 V186 S187 A189 L191 K216 N224 L251 | F165-W218 HydrophobicContact CB-CH2 3.89Å; F165-W218 WeakPolarHBondContact O-CH2 3.12Å; V186-W218 HydrophobicContact CB-CB 4.32Å; V186-W218 HydrophobicContact CB-CE3 4.16Å; V186-W218 HydrophobicContact CG2-CB 3.9Å; V186-W218 HydrophobicContact CG2-CE3 4.33Å; V186-W218 WeakPolarHBondContact O-CB 3.33Å; S187-W218 WeakPolarHBondContact CA-O 3.42Å; A189-W218 HydrophobicContact CB-CE3 4.28Å; L191-W218 HydrophobicContact CD1-CH2 3.36Å; L191-W218 HydrophobicContact CD1-CZ2 3.25Å; L191-W218 HydrophobicContact CD1-CZ3 4.07Å; L191-W218 HydrophobicContact CD2-CH2 4.49Å; K216-W218 VanDerWaalsContact CB-CD1 3.49Å; K216-W218 HydrophobicContact CB-CD2 4.3Å; K216-W218 HydrophobicContact CB-CG 4.09Å; K216-W218 VanDerWaalsContact CB-NE1 3.32Å; W218-N224 HydrophobicContact CB-CB 4.18Å; W218-N224 WeakPolarHBondContact CB-OD1 3.36Å; W218-N224 HydrophobicContact CD2-CB 3.52Å; W218-N224 HydrophobicContact CE3-CB 3.87Å; W218-N224 HydrophobicContact CG-CB 3.68Å; W218-N224 HydrophobicContact CZ2-CB 4.21Å; W218-N224 HydrophobicContact CZ3-CB 4.36Å; W218-L251 HydrophobicContact CE3-CD1 4.46Å; W218-L251 HydrophobicContact CZ3-CD1 3.86Å; W218-L251 HydrophobicContact CZ3-CD2 4.19Å; W218-L251 HydrophobicContact CZ3-CG 4.48Å | ||
| 219 | N | 83.2 | Confident | 92.5 | Very high | 78 Ų | 78 | 64.3 Ų | 64.3 | 42% | 0.417 | 34% | 0.337 | S | S | . | . | trans | -82.8 | 125.4 | 172.7 | -178.2 | 3.5 | 0 | 0 | 0 | 109.6 | T221 N224 | N219-T221 PolarHBondContact ND2-OG1 2.97Å; N219-T221 PolarHBondContact O-N 2.73Å; N219-T221 PolarHBondContact OD1-N 3.11Å; N219-T221 PolarHBondContact OD1-OG1 3.24Å; N219-T221 VanDerWaalsContact OD1-OG1 3.1Å; N219-N224 PolarHBondContact N-OD1 2.84Å; N219-N224 PolarHBondContact O-ND2 3.13Å | ||
| 220 | N | 81.9 | Confident | 92.5 | Very high | 50 Ų | 50 | 64.8 Ų | 64.8 | 27% | 0.267 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -5.9 | 178.8 | -63 | -15 | 0 | 0 | 0 | 113.6 | Y167 N169 D185 V186 S187 | Y167-N220 PolarHBondContact OH-O 3.07Å; N169-N220 PolarHBondContact ND2-O 3.43Å; D185-N220 PolarHBondContact OD1-ND2 2.87Å; V186-N220 WeakPolarHBondContact CG2-OD1 3.32Å; V186-N220 PolarHBondContact N-OD1 3Å; S187-N220 PolarHBondContact N-OD1 2.86Å |
| 221 | T | 76.3 | Confident | 92.6 | Very high | 105 Ų | 105 | 66.5 Ų | 66.5 | 64% | 0.644 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.3 | -6.1 | -175.3 | 73.4 | 0 | 0 | 0 | 0 | 114.9 | N219 | N219-T221 PolarHBondContact ND2-OG1 2.97Å; N219-T221 PolarHBondContact O-N 2.73Å; N219-T221 PolarHBondContact OD1-N 3.11Å; N219-T221 PolarHBondContact OD1-OG1 3.24Å; N219-T221 VanDerWaalsContact OD1-OG1 3.1Å |
| 222 | S | 81.4 | Confident | 92.5 | Very high | 50 Ų | 50 | 66.9 Ų | 66.9 | 35% | 0.35 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -137.5 | -179.7 | -172.6 | 65.9 | 0 | 0 | 0 | 0 | 112.6 | N224 | S222-N224 PolarHBondContact O-ND2 2.78Å; S222-N224 VanDerWaalsContact O-ND2 3.09Å |
| 223 | Y | 90.4 | Very high | 92.5 | Very high | 129 Ų | 129 | 68.3 Ų | 68.3 | 51% | 0.506 | 36% | 0.36 | S | S | . | . | trans | -64.9 | 138.5 | 166.8 | -179.6 | -95.5 | 0 | 0 | 0 | 111.3 | R166 Y167 M225 | R166-Y223 HydrophobicContact CG-CD2 4.46Å; R166-Y223 HydrophobicContact CG-CE2 3.53Å; Y167-Y223 CarbonylContact O-C 3.48Å; Y167-Y223 VanDerWaalsContact O-CA 3.31Å; Y167-Y223 WeakPolarHBondContact O-CA 3.47Å; Y223-M225 HydrophobicContact CE1-CB 3.61Å | ||
| 224 | N | 93.3 | Very high | 92.6 | Very high | 23 Ų | 23 | 67.8 Ų | 67.8 | 12% | 0.123 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 145.2 | 169.6 | -57.7 | -101.1 | 0 | 0 | 0 | 109.3 | R166 Y167 W218 N219 S222 | R166-N224 WeakPolarHBondContact CA-O 3.35Å; Y167-N224 PolarHBondContact N-O 2.89Å; Y167-N224 PolarHBondContact O-N 3.2Å; W218-N224 HydrophobicContact CB-CB 4.18Å; W218-N224 WeakPolarHBondContact CB-OD1 3.36Å; W218-N224 HydrophobicContact CD2-CB 3.52Å; W218-N224 HydrophobicContact CE3-CB 3.87Å; W218-N224 HydrophobicContact CG-CB 3.68Å; W218-N224 HydrophobicContact CZ2-CB 4.21Å; W218-N224 HydrophobicContact CZ3-CB 4.36Å; N219-N224 PolarHBondContact N-OD1 2.84Å; N219-N224 PolarHBondContact O-ND2 3.13Å; S222-N224 PolarHBondContact O-ND2 2.78Å; S222-N224 VanDerWaalsContact O-ND2 3.09Å |
| 225 | M | 94.5 | Very high | 92.7 | Very high | 69 Ų | 69 | 70.3 Ų | 70.3 | 34% | 0.34 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 143 | 179.1 | -176.2 | 63 | 136.3 | 0 | 0 | 110.7 | C164 F165 R166 Y223 D253 | C164-M225 HydrophobicContact CB-CE 3.78Å; C164-M225 HydrophobicContact CB-SD 4.04Å; F165-M225 CarbonylContact O-C 3.33Å; F165-M225 VanDerWaalsContact O-CA 3.29Å; F165-M225 WeakPolarHBondContact O-CA 3.36Å; R166-M225 HydrophobicContact CB-CE 4.45Å; R166-M225 HydrophobicContact CB-SD 3.73Å; R166-M225 HydrophobicContact CG-SD 4.08Å; Y223-M225 HydrophobicContact CE1-CB 3.61Å; M225-D253 VanDerWaalsContact CE-OD2 3.24Å; M225-D253 WeakPolarHBondContact CE-OD2 3.33Å |
| 226 | Y | 96.2 | Very high | 92.8 | Very high | 36 Ų | 36 | 66.6 Ų | 66.6 | 14% | 0.141 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 125 | 172.7 | 169.4 | -115.3 | 0 | 0 | 0 | 110 | C164 F165 L191 G213 K216 A228 | C164-Y226 CarbonylContact C-O 3.55Å; C164-Y226 WeakPolarHBondContact CA-O 3.45Å; F165-Y226 AromaticContact CD2-CD1 3.88Å; F165-Y226 HydrophobicContact CD2-CD1 3.88Å; F165-Y226 HydrophobicContact CD2-CE1 4.44Å; F165-Y226 HydrophobicContact CE2-CD1 4.45Å; F165-Y226 PolarHBondContact N-O 2.97Å; F165-Y226 PolarHBondContact O-N 3.5Å; L191-Y226 HydrophobicContact CB-CD1 3.63Å; L191-Y226 HydrophobicContact CB-CE1 3.86Å; L191-Y226 HydrophobicContact CD1-CD1 3.67Å; L191-Y226 HydrophobicContact CD1-CG 4.16Å; L191-Y226 HydrophobicContact CG-CD1 4.32Å; G213-Y226 VanDerWaalsContact CA-OH 3.32Å; G213-Y226 WeakPolarHBondContact CA-OH 3.22Å; K216-Y226 HydrophobicContact CG-CG 4.36Å; Y226-A228 HydrophobicContact CE1-CB 4.07Å |
| 227 | C | 97.6 | Very high | 92.9 | Very high | 58 Ų | 58 | 64.7 Ų | 64.7 | 39% | 0.392 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 141.8 | 173.6 | -56.4 | 0 | 0 | 0 | 0 | 110.9 | T163 C164 | T163-C227 WeakPolarHBondContact O-CA 3.49Å; C164-C227 HydrophobicContact CB-CB 4.15Å; C164-C227 WeakPolarHBondContact CB-SG 3.45Å; C164-C227 WeakPolarHBondContact SG-CB 3.42Å; C164-C227 CovalentContact SG-SG 2.04Å; C164-C227 PolarHBondContact SG-SG 2.83Å |
| 228 | A | 97.1 | Very high | 93.1 | Very high | 3 Ų | 3 | 61.9 Ų | 61.9 | 3% | 0.025 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 125.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | K162 T163 Q193 T212 Y226 | K162-A228 WeakPolarHBondContact CA-O 3.48Å; T163-A228 PolarHBondContact N-O 2.04Å; T163-A228 PolarHBondContact O-N 3.04Å; Q193-A228 PolarHBondContact NE2-O 3.24Å; T212-A228 HydrophobicContact CG2-CB 3.93Å; Y226-A228 HydrophobicContact CE1-CB 4.07Å |
| 229 | Q | 97.3 | Very high | 93.4 | Very high | 127 Ų | 127 | 62.6 Ų | 62.6 | 59% | 0.593 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 138 | 178.3 | -173.9 | 171.7 | -55.3 | 0 | 0 | 109.8 | V161 K162 | V161-Q229 WeakPolarHBondContact O-CA 3.18Å; V161-Q229 WeakPolarHBondContact O-CG 3.3Å; K162-Q229 HydrophobicContact CB-CB 4.41Å; K162-Q229 HydrophobicContact CB-CG 4.26Å; K162-Q229 HydrophobicContact CG-CB 4.29Å |
| 230 | Q | 96.9 | Very high | 94.1 | Very high | 31 Ų | 31 | 59.1 Ų | 59.1 | 15% | 0.145 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 160.4 | 175.5 | 63.1 | -172.4 | -25.4 | 0 | 0 | 110.3 | Y160 V161 M210 K211 T212 | Y160-Q230 WeakPolarHBondContact CA-O 3.25Å; V161-Q230 HydrophobicContact CG1-CG 3.68Å; V161-Q230 PolarHBondContact N-O 2.96Å; V161-Q230 PolarHBondContact O-N 3.07Å; V161-Q230 VanDerWaalsContact O-N 3.14Å; M210-Q230 HydrophobicContact CB-CG 4.32Å; M210-Q230 VanDerWaalsContact CB-OE1 3.28Å; M210-Q230 HydrophobicContact SD-CG 4.14Å; K211-Q230 VanDerWaalsContact C-OE1 3.3Å; T212-Q230 HydrophobicContact CG2-CB 4.22Å; T212-Q230 VanDerWaalsContact CG2-CD 3.44Å; T212-Q230 HydrophobicContact CG2-CG 3.99Å |
| 231 | S | 98 | Very high | 94.9 | Very high | 55 Ų | 55 | 57 Ų | 57 | 39% | 0.385 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 159 | 175 | 63.1 | 0 | 0 | 0 | 0 | 111.8 | Y158 V159 | Y158-S231 WeakPolarHBondContact CE2-OG 3.42Å; Y158-S231 VanDerWaalsContact CZ-CB 3.44Å; Y158-S231 WeakPolarHBondContact OH-CB 3.28Å; Y158-S231 PolarHBondContact OH-OG 3.03Å; V159-S231 CarbonylContact O-C 3.57Å; V159-S231 WeakPolarHBondContact O-CA 3.06Å; V159-S231 WeakPolarHBondContact O-CB 3.32Å |
| 232 | R | 97.4 | Very high | 95.9 | Very high | 127 Ų | 127 | 52 Ų | 52 | 48% | 0.479 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 146 | 178.7 | -177.8 | 172.7 | -177.3 | -159.8 | -1.2 | 111 | V159 L209 M210 | V159-R232 PolarHBondContact N-O 3.01Å; V159-R232 PolarHBondContact O-N 3.09Å; L209-R232 PolarHBondContact O-NH1 2.85Å; M210-R232 HydrophobicContact CE-CB 4.2Å; M210-R232 HydrophobicContact CG-CB 3.82Å; M210-R232 HydrophobicContact SD-CB 3.27Å; M210-R232 WeakPolarHBondContact SD-CB 3.34Å |
| 233 | V | 97.7 | Very high | 96.7 | Very high | 73 Ų | 73 | 49.9 Ų | 49.9 | 44% | 0.442 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 126.8 | 165.6 | -178.7 | 0 | 0 | 0 | 0 | 109.5 | L156 Y157 Y158 | L156-V233 HydrophobicContact CB-CG1 4.26Å; L156-V233 HydrophobicContact CD2-CG1 4.22Å; Y157-V233 CarbonylContact O-C 3.6Å; Y157-V233 VanDerWaalsContact O-CA 3.27Å; Y157-V233 WeakPolarHBondContact O-CA 3.41Å; Y158-V233 HydrophobicContact CD2-CG2 4.01Å |
| 234 | V | 97.1 | Very high | 97.1 | Very high | 18 Ų | 18 | 43.7 Ų | 43.7 | 11% | 0.109 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 141.7 | -179.1 | 57.2 | 0 | 0 | 0 | 0 | 110.1 | Y157 V159 L209 L236 | Y157-V234 PolarHBondContact N-O 3.39Å; Y157-V234 PolarHBondContact O-N 3.08Å; V159-V234 HydrophobicContact CB-CG1 4.47Å; V159-V234 HydrophobicContact CG2-CG1 3.54Å; L209-V234 HydrophobicContact CD1-CG1 4.21Å; L209-V234 HydrophobicContact CD1-CG2 4.23Å; L209-V234 HydrophobicContact CD2-CG2 4.04Å; V234-L236 HydrophobicContact CG1-CD1 4.03Å; V234-L236 HydrophobicContact CG1-CD2 4Å; V234-L236 HydrophobicContact CG1-CG 3.92Å; V234-L236 HydrophobicContact CG2-CD2 3.87Å; V234-L236 HydrophobicContact CG2-CG 4.38Å |
| 235 | N | 97.1 | Very high | 97.3 | Very high | 98 Ų | 98 | 43.7 Ų | 43.7 | 52% | 0.524 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 122.3 | 170.9 | -170.1 | -1.7 | 0 | 0 | 0 | 109.1 | G155 L156 | G155-N235 PolarHBondContact O-OD1 3.46Å; L156-N235 HydrophobicContact CD2-CB 3.87Å |
| 236 | L | 97.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 145.3 | -179.7 | -57.5 | 172.7 | 0 | 0 | 0 | 109.3 | V151 S154 G155 Y157 V234 L242 | V151-L236 HydrophobicContact CG1-CB 4.2Å; V151-L236 HydrophobicContact CG2-CB 3.98Å; V151-L236 HydrophobicContact CG2-CD1 3.72Å; V151-L236 HydrophobicContact CG2-CG 4.41Å; S154-L236 CarbonylContact C-O 3.54Å; S154-L236 WeakPolarHBondContact CA-O 3.35Å; G155-L236 PolarHBondContact N-O 2.98Å; G155-L236 PolarHBondContact O-N 3.29Å; Y157-L236 HydrophobicContact CD2-CB 3.89Å; Y157-L236 HydrophobicContact CD2-CD1 3.86Å; Y157-L236 HydrophobicContact CD2-CG 4.15Å; Y157-L236 HydrophobicContact CE2-CB 4.29Å; Y157-L236 HydrophobicContact CG-CD1 3.84Å; V234-L236 HydrophobicContact CG1-CD1 4.03Å; V234-L236 HydrophobicContact CG1-CD2 4Å; V234-L236 HydrophobicContact CG1-CG 3.92Å; V234-L236 HydrophobicContact CG2-CD2 3.87Å; V234-L236 HydrophobicContact CG2-CG 4.38Å; L236-L242 HydrophobicContact CD1-CD1 3.71Å; L236-L242 HydrophobicContact CD1-CD2 4.06Å; L236-L242 HydrophobicContact CD1-CG 4.04Å; L236-L242 HydrophobicContact CD2-CD2 4.05Å |
| 237 | V | 97.2 | Very high | 97.4 | Very high | 23 Ų | 23 | 39.1 Ų | 39.1 | 14% | 0.139 | 21% | 0.212 | C | C | . | . | trans | -104.9 | 157 | 173.6 | -59.1 | 0 | 0 | 0 | 0 | 111 | V151 S154 I200 K201 G239 D240 | V151-V237 WeakPolarHBondContact CG1-O 3.38Å; S154-V237 WeakPolarHBondContact OG-CA 3.44Å; I200-V237 HydrophobicContact CG2-CG2 3.73Å; K201-V237 HydrophobicContact CD-CG1 4.5Å; K201-V237 HydrophobicContact CD-CG2 4.19Å; K201-V237 HydrophobicContact CG-CG2 4.18Å; V237-G239 PolarHBondContact O-N 2.98Å; V237-D240 VanDerWaalsContact CG2-CG 3.43Å; V237-D240 VanDerWaalsContact CG2-OD1 3.31Å; V237-D240 WeakPolarHBondContact CG2-OD1 3.43Å; V237-D240 VanDerWaalsContact CG2-OD2 3.24Å; V237-D240 WeakPolarHBondContact CG2-OD2 3.41Å; V237-D240 PolarHBondContact N-OD2 3.21Å; V237-D240 WeakPolarHBondContact O-CB 3.37Å; V237-D240 PolarHBondContact O-N 2.98Å | ||
| 238 | E | 97.3 | Very high | 97.2 | Very high | 125 Ų | 125 | 37 Ų | 37 | 58% | 0.584 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | 130.6 | 171.7 | -179.2 | -180 | 177.8 | 0 | 0 | 110.6 | R152 S154 I200 | R152-E238 WeakPolarHBondContact O-CG 3.1Å; S154-E238 PolarHBondContact OG-N 2.77Å; I200-E238 WeakPolarHBondContact CG2-O 3.42Å |
| 239 | G | 96.6 | Very high | 97.1 | Very high | 37 Ų | 37 | 37 Ų | 37 | 38% | 0.381 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 92 | -13.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | V151 V237 | V151-G239 PolarHBondContact O-N 3.31Å; V237-G239 PolarHBondContact O-N 2.98Å |
| 240 | D | 97.9 | Very high | 96.8 | Very high | 4 Ų | 4 | 33 Ų | 33 | 2% | 0.021 | 18% | 0.177 | C | C | . | . | trans | -64.5 | 152.2 | 170.3 | -73.3 | -14.8 | 0 | 0 | 0 | 110.7 | V151 H197 K198 S199 I200 V237 | V151-D240 HydrophobicContact CB-CB 4.44Å; V151-D240 WeakPolarHBondContact CB-O 3.08Å; V151-D240 HydrophobicContact CG2-CB 4.32Å; V151-D240 PolarHBondContact N-O 3.31Å; H197-D240 IonicContact CE1-OD2 2.7Å; H197-D240 PolarHBondContact CE1-OD2 2.9Å; H197-D240 WeakPolarHBondContact NE2-CB 3.39Å; H197-D240 IonicContact NE2-OD1 2.97Å; H197-D240 PolarHBondContact NE2-OD1 3.22Å; H197-D240 IonicContact NE2-OD2 2.81Å; H197-D240 PolarHBondContact NE2-OD2 3.05Å; K198-D240 WeakPolarHBondContact O-CA 3.31Å; S199-D240 VanDerWaalsContact CA-OD1 3.26Å; S199-D240 WeakPolarHBondContact CA-OD1 3.46Å; I200-D240 WeakPolarHBondContact CG2-OD1 3.47Å; I200-D240 PolarHBondContact N-OD1 2.84Å; V237-D240 VanDerWaalsContact CG2-CG 3.43Å; V237-D240 VanDerWaalsContact CG2-OD1 3.31Å; V237-D240 WeakPolarHBondContact CG2-OD1 3.43Å; V237-D240 VanDerWaalsContact CG2-OD2 3.24Å; V237-D240 WeakPolarHBondContact CG2-OD2 3.41Å; V237-D240 PolarHBondContact N-OD2 3.21Å; V237-D240 WeakPolarHBondContact O-CB 3.37Å; V237-D240 PolarHBondContact O-N 2.98Å | ||
| 241 | A | 98.1 | Very high | 96.7 | Very high | 7 Ų | 7 | 31.7 Ų | 31.7 | 6% | 0.058 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 136.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | N148 L149 L150 H197 K198 | N148-A241 HydrophobicContact CB-CB 4.19Å; L149-A241 CarbonylContact O-C 3.57Å; L149-A241 WeakPolarHBondContact O-CA 3.31Å; L150-A241 HydrophobicContact CD2-CB 3.66Å; H197-A241 CarbonylContact C-O 3.57Å; H197-A241 VanDerWaalsContact CA-O 3.31Å; H197-A241 WeakPolarHBondContact CA-O 3.47Å; K198-A241 HydrophobicContact CB-CB 4.19Å; K198-A241 PolarHBondContact N-O 2.9Å; K198-A241 PolarHBondContact O-N 2.78Å |
| 242 | L | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 142.7 | 173.7 | -59.7 | 171.4 | 0 | 0 | 0 | 110.2 | N148 L149 V159 Y196 H197 L209 L236 F261 A263 | N148-L242 CarbonylContact C-O 3.58Å; N148-L242 WeakPolarHBondContact CA-O 3.43Å; L149-L242 HydrophobicContact CB-CB 4.4Å; L149-L242 HydrophobicContact CD2-CD1 4.43Å; L149-L242 PolarHBondContact N-O 3.45Å; L149-L242 PolarHBondContact O-N 2.73Å; V159-L242 HydrophobicContact CG1-CD1 4.11Å; V159-L242 HydrophobicContact CG2-CD1 3.63Å; Y196-L242 WeakPolarHBondContact O-CA 3.44Å; H197-L242 HydrophobicContact CB-CD2 4.09Å; L209-L242 HydrophobicContact CD1-CD2 3.65Å; L236-L242 HydrophobicContact CD1-CD1 3.71Å; L236-L242 HydrophobicContact CD1-CD2 4.06Å; L236-L242 HydrophobicContact CD1-CG 4.04Å; L236-L242 HydrophobicContact CD2-CD2 4.05Å; L242-F261 HydrophobicContact CB-CE1 4.3Å; L242-F261 HydrophobicContact CB-CZ 3.67Å; L242-F261 HydrophobicContact CD1-CZ 4.19Å; L242-A263 HydrophobicContact CD1-CB 4.21Å |
| 243 | F | 98.3 | Very high | 96.4 | Very high | 4 Ų | 4 | 23.9 Ų | 23.9 | 2% | 0.018 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 162.7 | 175.4 | 64.5 | -79.3 | 0 | 0 | 0 | 110.9 | N129 G147 Y196 K198 K206 E245 | N129-F243 WeakPolarHBondContact ND2-CD2 3.41Å; G147-F243 VanDerWaalsContact O-CB 3.25Å; G147-F243 WeakPolarHBondContact O-CB 3.11Å; Y196-F243 HydrophobicContact CD2-CD2 4.37Å; Y196-F243 AromaticContact CD2-CE2 3.78Å; Y196-F243 HydrophobicContact CD2-CE2 3.78Å; Y196-F243 HydrophobicContact CD2-CZ 4.13Å; Y196-F243 HydrophobicContact CG-CE1 4.38Å; Y196-F243 AromaticContact CG-CE2 3.95Å; Y196-F243 HydrophobicContact CG-CE2 3.95Å; Y196-F243 AromaticContact CG-CZ 3.81Å; Y196-F243 HydrophobicContact CG-CZ 3.81Å; Y196-F243 PolarHBondContact N-O 3.47Å; Y196-F243 PolarHBondContact O-N 3.12Å; K198-F243 HydrophobicContact CD-CD1 4.5Å; K198-F243 HydrophobicContact CD-CE1 4.13Å; K198-F243 HydrophobicContact CG-CD1 4.13Å; K198-F243 HydrophobicContact CG-CE1 3.55Å; K198-F243 HydrophobicContact CG-CZ 4.47Å; K206-F243 HydrophobicContact CD-CE2 4.37Å; K206-F243 HydrophobicContact CD-CZ 3.74Å; K206-F243 HydrophobicContact CG-CE1 4.48Å; K206-F243 HydrophobicContact CG-CZ 3.82Å; F243-E245 HydrophobicContact CD2-CG 4.16Å; F243-E245 HydrophobicContact CE2-CG 4.06Å; F243-E245 WeakPolarHBondContact CE2-OE1 3.26Å |
| 244 | V | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 133.1 | -174.6 | -176.6 | 0 | 0 | 0 | 0 | 109.3 | N129 I130 W132 V161 Q193 Y194 V195 F261 | N129-V244 WeakPolarHBondContact CA-O 3.5Å; I130-V244 HydrophobicContact CD1-CG1 3.97Å; I130-V244 PolarHBondContact N-O 2.88Å; W132-V244 HydrophobicContact CZ2-CB 3.8Å; W132-V244 HydrophobicContact CZ2-CG1 4.24Å; W132-V244 HydrophobicContact CZ2-CG2 3.84Å; V161-V244 HydrophobicContact CG2-CG1 4.09Å; V161-V244 HydrophobicContact CG2-CG2 3.99Å; Q193-V244 HydrophobicContact CG-CG1 4.09Å; Y194-V244 CarbonylContact O-C 3.59Å; Y194-V244 VanDerWaalsContact O-CA 3.3Å; Y194-V244 WeakPolarHBondContact O-CA 3.36Å; Y194-V244 WeakPolarHBondContact O-CG1 3.09Å; V195-V244 HydrophobicContact CG2-CG2 4.37Å; V244-F261 HydrophobicContact CG2-CB 4.23Å; V244-F261 HydrophobicContact CG2-CD1 4.1Å; V244-F261 HydrophobicContact CG2-CD2 3.72Å; V244-F261 HydrophobicContact CG2-CE1 4.45Å; V244-F261 HydrophobicContact CG2-CE2 4.12Å; V244-F261 HydrophobicContact CG2-CG 3.74Å; V244-F261 HydrophobicContact CG2-CZ 4.49Å |
| 245 | E | 97.8 | Very high | 96.1 | Very high | 22 Ų | 22 | 27.1 Ų | 27.1 | 10% | 0.103 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 145.9 | 170.5 | -66.1 | 176.8 | 174.5 | 0 | 0 | 110.7 | M127 I128 N129 Y194 Y196 K206 F243 | M127-E245 HydrophobicContact CB-CB 4.35Å; M127-E245 HydrophobicContact CE-CB 3.73Å; I128-E245 CarbonylContact O-C 3.53Å; I128-E245 WeakPolarHBondContact O-CA 3.39Å; N129-E245 HydrophobicContact CB-CG 4.16Å; Y194-E245 PolarHBondContact N-O 3.02Å; Y194-E245 PolarHBondContact O-N 2.8Å; Y196-E245 HydrophobicContact CD2-CB 4.39Å; Y196-E245 HydrophobicContact CD2-CG 4.2Å; Y196-E245 HydrophobicContact CE2-CB 4.07Å; Y196-E245 HydrophobicContact CE2-CG 4.16Å; Y196-E245 WeakPolarHBondContact CE2-OE2 3.08Å; K206-E245 IonicContact NZ-OE1 3.24Å; K206-E245 PolarHBondContact NZ-OE1 2.92Å; K206-E245 IonicContact NZ-OE2 3.46Å; K206-E245 PolarHBondContact NZ-OE2 2.81Å; F243-E245 HydrophobicContact CD2-CG 4.16Å; F243-E245 HydrophobicContact CE2-CG 4.06Å; F243-E245 WeakPolarHBondContact CE2-OE1 3.26Å |
| 246 | V | 97.3 | Very high | 96 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 150.1 | 175.8 | -68.9 | 0 | 0 | 0 | 0 | 111.9 | M127 I128 I130 T163 F165 I192 Q193 A249 L252 | M127-V246 WeakPolarHBondContact CE-O 3.22Å; I128-V246 PolarHBondContact N-O 2.88Å; I128-V246 PolarHBondContact O-N 2.87Å; I130-V246 HydrophobicContact CD1-CB 4.46Å; I130-V246 HydrophobicContact CD1-CG1 3.68Å; I130-V246 HydrophobicContact CD1-CG2 3.96Å; I130-V246 HydrophobicContact CG1-CG1 4.42Å; I130-V246 HydrophobicContact CG1-CG2 3.89Å; T163-V246 HydrophobicContact CG2-CG1 3.99Å; F165-V246 HydrophobicContact CE1-CB 4.15Å; F165-V246 HydrophobicContact CZ-CB 3.98Å; F165-V246 HydrophobicContact CZ-CG1 3.95Å; I192-V246 VanDerWaalsContact O-CA 3.26Å; I192-V246 WeakPolarHBondContact O-CA 3.49Å; Q193-V246 HydrophobicContact CB-CG1 4.29Å; Q193-V246 HydrophobicContact CG-CG1 4.33Å; V246-A249 HydrophobicContact CG2-CB 3.89Å; V246-L252 HydrophobicContact CG2-CD1 4.39Å; V246-L252 HydrophobicContact CG2-CD2 4.27Å |
| 247 | S | 95.3 | Very high | 95.7 | Very high | 9 Ų | 9 | 31 Ų | 31 | 6% | 0.063 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -84.1 | 153.8 | 166.7 | 60.5 | 0 | 0 | 0 | 0 | 110.4 | F165 Q190 I192 A249 | F165-S247 WeakPolarHBondContact CE1-O 3.39Å; Q190-S247 PolarHBondContact O-OG 3.32Å; I192-S247 PolarHBondContact N-OG 2.86Å; I192-S247 PolarHBondContact O-N 3.22Å; S247-A249 VanDerWaalsContact C-N 3.29Å; S247-A249 PolarHBondContact O-N 2.77Å |
| 248 | N | 93.4 | Very high | 95.3 | Very high | 13 Ų | 13 | 30.2 Ų | 30.2 | 7% | 0.07 | 16% | 0.162 | C | C | . | . | S | Bend | trans | 49.4 | 48.7 | -179.8 | -70.1 | -73.7 | 0 | 0 | 0 | 112.7 | Q190 L191 W250 L251 | Q190-N248 PolarHBondContact O-ND2 2.75Å; L191-N248 HydrophobicContact CD2-CB 4.22Å; N248-W250 PolarHBondContact O-N 3.29Å; N248-W250 PolarHBondContact OD1-NE1 3.35Å; N248-L251 HydrophobicContact CB-CD1 4.08Å; N248-L251 WeakPolarHBondContact O-CB 3.5Å; N248-L251 PolarHBondContact O-N 3.49Å |
| 249 | A | 94.1 | Very high | 95.3 | Very high | 3 Ų | 3 | 24.2 Ų | 24.2 | 3% | 0.025 | 13% | 0.134 | C | C | . | . | G | 310 helix | trans | -58.4 | -23.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | F120 I128 V246 S247 L251 L252 | F120-A249 HydrophobicContact CB-CB 4.36Å; F120-A249 HydrophobicContact CD1-CB 3.62Å; F120-A249 HydrophobicContact CD2-CB 4.24Å; F120-A249 WeakPolarHBondContact CD2-O 3.4Å; F120-A249 HydrophobicContact CE1-CB 3.81Å; F120-A249 HydrophobicContact CE2-CB 4.4Å; F120-A249 WeakPolarHBondContact CE2-O 3.09Å; F120-A249 HydrophobicContact CG-CB 3.83Å; F120-A249 HydrophobicContact CZ-CB 4.17Å; I128-A249 HydrophobicContact CB-CB 3.71Å; I128-A249 HydrophobicContact CG1-CB 3.85Å; I128-A249 HydrophobicContact CG2-CB 4.13Å; V246-A249 HydrophobicContact CG2-CB 3.89Å; S247-A249 VanDerWaalsContact C-N 3.29Å; S247-A249 PolarHBondContact O-N 2.77Å; A249-L251 PolarHBondContact O-N 2.94Å; A249-L251 VanDerWaalsContact O-N 3.12Å; A249-L252 WeakPolarHBondContact O-CB 3.42Å; A249-L252 PolarHBondContact O-N 3.4Å |
| 250 | W | 91.9 | Very high | 95.4 | Very high | 45 Ų | 45 | 24.6 Ų | 24.6 | 17% | 0.17 | 12% | 0.124 | C | C | . | . | G | 310 helix | trans | -62.8 | -13.3 | 172.5 | 70.5 | -89.7 | 0 | 0 | 0 | 114.3 | F120 K122 Y167 P184 V186 N248 | F120-W250 HydrophobicContact CB-CB 3.99Å; K122-W250 HydrophobicContact CG-CB 4.43Å; K122-W250 HydrophobicContact CG-CD2 4.42Å; K122-W250 HydrophobicContact CG-CE3 4.24Å; Y167-W250 HydrophobicContact CD2-CH2 4.37Å; Y167-W250 HydrophobicContact CD2-CZ3 4.23Å; Y167-W250 HydrophobicContact CE2-CH2 4.49Å; Y167-W250 HydrophobicContact CE2-CZ3 4.45Å; P184-W250 HydrophobicContact CB-CH2 3.57Å; P184-W250 HydrophobicContact CB-CZ2 4Å; P184-W250 HydrophobicContact CB-CZ3 4.18Å; P184-W250 HydrophobicContact CG-CH2 3.94Å; P184-W250 HydrophobicContact CG-CZ3 4.03Å; V186-W250 HydrophobicContact CG1-CH2 3.39Å; V186-W250 HydrophobicContact CG1-CZ2 3.9Å; V186-W250 HydrophobicContact CG1-CZ3 4.45Å; N248-W250 PolarHBondContact O-N 3.29Å; N248-W250 PolarHBondContact OD1-NE1 3.35Å |
| 251 | L | 93.6 | Very high | 95.5 | Very high | 3 Ų | 3 | 24.4 Ų | 24.4 | 2% | 0.016 | 12% | 0.123 | C | C | . | . | G | 310 helix | trans | -96.9 | -2.8 | 171 | -68.2 | 172.5 | 0 | 0 | 0 | 112.8 | F165 R166 Y167 V186 A189 L191 W218 N248 A249 D253 | F165-L251 CarbonylContact C-O 3.56Å; F165-L251 WeakPolarHBondContact CA-O 3.07Å; F165-L251 HydrophobicContact CB-CB 4.37Å; F165-L251 HydrophobicContact CD1-CB 4.17Å; R166-L251 PolarHBondContact N-O 2.92Å; Y167-L251 HydrophobicContact CD2-CD2 3.8Å; Y167-L251 HydrophobicContact CG-CD2 4.3Å; V186-L251 HydrophobicContact CG1-CD1 4.25Å; V186-L251 HydrophobicContact CG1-CD2 4.29Å; A189-L251 HydrophobicContact CB-CD1 4.27Å; L191-L251 HydrophobicContact CD2-CD1 3.81Å; W218-L251 HydrophobicContact CE3-CD1 4.46Å; W218-L251 HydrophobicContact CZ3-CD1 3.86Å; W218-L251 HydrophobicContact CZ3-CD2 4.19Å; W218-L251 HydrophobicContact CZ3-CG 4.48Å; N248-L251 HydrophobicContact CB-CD1 4.08Å; N248-L251 WeakPolarHBondContact O-CB 3.5Å; N248-L251 PolarHBondContact O-N 3.49Å; A249-L251 PolarHBondContact O-N 2.94Å; A249-L251 VanDerWaalsContact O-N 3.12Å; L251-D253 PolarHBondContact O-N 3.3Å |
| 252 | L | 95.1 | Very high | 95.5 | Very high | 10 Ų | 10 | 24.1 Ų | 24.1 | 5% | 0.052 | 12% | 0.121 | C | C | . | . | B | Isolated β-bridge | trans | -67.2 | 131.1 | -176.4 | -167.6 | 68.8 | 0 | 0 | 0 | 110.1 | I114 F120 I130 T163 F165 V246 A249 Q254 T259 | I114-L252 HydrophobicContact CD1-CD2 3.43Å; I114-L252 VanDerWaalsContact CD1-CD2 3.43Å; I114-L252 HydrophobicContact CD1-CG 3.92Å; F120-L252 HydrophobicContact CE2-CB 4.31Å; F120-L252 HydrophobicContact CE2-CD2 4.29Å; F120-L252 HydrophobicContact CZ-CD2 4.16Å; I130-L252 HydrophobicContact CD1-CD1 4.35Å; I130-L252 HydrophobicContact CD1-CD2 3.72Å; I130-L252 HydrophobicContact CG1-CD2 3.84Å; I130-L252 HydrophobicContact CG2-CD2 4.3Å; T163-L252 HydrophobicContact CG2-CD1 4.14Å; F165-L252 HydrophobicContact CD1-CD1 4.37Å; F165-L252 HydrophobicContact CE1-CD1 4.12Å; F165-L252 HydrophobicContact CZ-CD1 4.42Å; V246-L252 HydrophobicContact CG2-CD1 4.39Å; V246-L252 HydrophobicContact CG2-CD2 4.27Å; A249-L252 WeakPolarHBondContact O-CB 3.42Å; A249-L252 PolarHBondContact O-N 3.4Å; L252-Q254 PolarHBondContact O-N 3.42Å; L252-T259 HydrophobicContact CD1-CG2 4.13Å; L252-T259 HydrophobicContact CD2-CG2 4.38Å; L252-T259 HydrophobicContact CG-CG2 4.3Å |
| 253 | D | 95.4 | Very high | 95.5 | Very high | 7 Ų | 7 | 24.1 Ų | 24.1 | 4% | 0.037 | 12% | 0.121 | C | C | . | . | trans | -72.8 | 127.1 | 175.9 | -163.5 | -3.2 | 0 | 0 | 0 | 110 | C164 R166 M225 L251 E255 T259 | C164-D253 HydrophobicContact CB-CB 3.92Å; C164-D253 WeakPolarHBondContact O-CB 3.5Å; C164-D253 PolarHBondContact O-N 2.94Å; R166-D253 HydrophobicContact CB-CB 4.16Å; R166-D253 IonicContact CZ-OD1 3.8Å; R166-D253 IonicContact CZ-OD2 3.15Å; R166-D253 IonicContact NE-OD1 3.59Å; R166-D253 PolarHBondContact NE-OD1 3.23Å; R166-D253 IonicContact NE-OD2 3.92Å; R166-D253 IonicContact NH1-OD1 2.75Å; R166-D253 IonicContact NH1-OD2 4Å; R166-D253 IonicContact NH2-OD1 3.32Å; R166-D253 PolarHBondContact NH2-OD1 3.29Å; R166-D253 IonicContact NH2-OD2 2.69Å; M225-D253 VanDerWaalsContact CE-OD2 3.24Å; M225-D253 WeakPolarHBondContact CE-OD2 3.33Å; L251-D253 PolarHBondContact O-N 3.3Å; D253-E255 VanDerWaalsContact C-N 3.31Å; D253-E255 PolarHBondContact OD1-N 2.88Å; D253-T259 WeakPolarHBondContact O-CB 3.3Å; D253-T259 PolarHBondContact O-OG1 2.77Å | ||
| 254 | Q | 94.4 | Very high | 95.4 | Very high | 66 Ų | 66 | 26.5 Ų | 26.5 | 31% | 0.308 | 14% | 0.135 | S | C | . | . | trans | -87 | 2.3 | -177.3 | -63.3 | -169.4 | 1.2 | 0 | 0 | 113.3 | I114 A116 Q118 L252 | I114-Q254 WeakPolarHBondContact CG2-O 3.42Å; A116-Q254 HydrophobicContact CB-CB 4.1Å; Q118-Q254 PolarHBondContact O-NE2 3.38Å; L252-Q254 PolarHBondContact O-N 3.42Å | ||
| 255 | E | 94.2 | Very high | 95.4 | Very high | 94 Ų | 94 | 27.7 Ų | 27.7 | 44% | 0.439 | 14% | 0.141 | S | C | . | . | trans | -78 | 133.9 | 174.6 | -70.8 | -174.8 | -143.6 | 0 | 0 | 112.3 | R166 D253 E257 G258 T259 | R166-E255 IonicContact CZ-OE1 3.43Å; R166-E255 IonicContact NH1-OE1 2.79Å; R166-E255 PolarHBondContact NH1-OE1 3.1Å; R166-E255 IonicContact NH2-OE1 2.71Å; R166-E255 PolarHBondContact NH2-OE1 3.03Å; R166-E255 VanDerWaalsContact NH2-OE1 3.15Å; D253-E255 VanDerWaalsContact C-N 3.31Å; D253-E255 PolarHBondContact OD1-N 2.88Å; E255-E257 VanDerWaalsContact C-N 3.27Å; E255-E257 PolarHBondContact O-N 2.99Å; E255-G258 PolarHBondContact O-N 2.81Å; E255-G258 VanDerWaalsContact O-N 3.07Å; E255-T259 PolarHBondContact O-N 2.82Å | ||
| 256 | A | 93.2 | Very high | 95 | Very high | 42 Ų | 42 | 36.4 Ų | 36.4 | 35% | 0.347 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -30.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | P113 G258 | P113-A256 HydrophobicContact CB-CB 3.64Å; A256-G258 VanDerWaalsContact C-N 3.34Å |
| 257 | E | 91.7 | Very high | 94.5 | Very high | 136 Ų | 136 | 37.5 Ų | 37.5 | 64% | 0.636 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76 | -26 | 177.9 | -57.5 | 79.4 | -175.7 | 0 | 0 | 112.2 | K162 E255 | K162-E257 PolarHBondContact NZ-O 3.19Å; E255-E257 VanDerWaalsContact C-N 3.27Å; E255-E257 PolarHBondContact O-N 2.99Å |
| 258 | G | 89.3 | Confident | 93.9 | Very high | 7 Ų | 7 | 45.1 Ų | 45.1 | 7% | 0.072 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -42.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | K162 C164 E255 A256 | K162-G258 WeakPolarHBondContact CD-O 3.46Å; K162-G258 WeakPolarHBondContact CE-O 3.4Å; K162-G258 WeakPolarHBondContact CG-O 3.4Å; C164-G258 PolarHBondContact N-O 2.92Å; C164-G258 PolarHBondContact SG-O 3.32Å; E255-G258 PolarHBondContact O-N 2.81Å; E255-G258 VanDerWaalsContact O-N 3.07Å; A256-G258 VanDerWaalsContact C-N 3.34Å |
| 259 | T | 97.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -129.8 | 112.2 | -170.9 | -58.2 | 0 | 0 | 0 | 0 | 112 | I114 W132 K162 T163 C164 L252 D253 E255 | I114-T259 HydrophobicContact CB-CG2 3.97Å; I114-T259 HydrophobicContact CD1-CG2 4Å; I114-T259 HydrophobicContact CG1-CG2 4.47Å; I114-T259 HydrophobicContact CG2-CG2 4.47Å; I114-T259 PolarHBondContact N-O 2.91Å; W132-T259 HydrophobicContact CH2-CG2 3.98Å; W132-T259 HydrophobicContact CZ3-CG2 3.88Å; K162-T259 CarbonylContact O-C 3.55Å; K162-T259 WeakPolarHBondContact O-CA 3.39Å; T163-T259 HydrophobicContact CG2-CG2 3.97Å; C164-T259 PolarHBondContact N-OG1 3.09Å; L252-T259 HydrophobicContact CD1-CG2 4.13Å; L252-T259 HydrophobicContact CD2-CG2 4.38Å; L252-T259 HydrophobicContact CG-CG2 4.3Å; D253-T259 WeakPolarHBondContact O-CB 3.3Å; D253-T259 PolarHBondContact O-OG1 2.77Å; E255-T259 PolarHBondContact O-N 2.82Å |
| 260 | Y | 98.4 | Very high | 93.9 | Very high | 45 Ų | 45 | 49 Ų | 49 | 18% | 0.176 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 160.2 | -179.3 | 56.5 | -104.7 | 0 | 0 | 0 | 112.5 | H111 L112 W132 Y160 K162 | H111-Y260 AromaticContact CE1-CD2 3.48Å; H111-Y260 VanDerWaalsContact CE1-CD2 3.48Å; H111-Y260 WeakPolarHBondContact CE1-CD2 3.46Å; H111-Y260 AromaticContact CE1-CG 3.59Å; H111-Y260 AromaticContact NE2-CG 3.97Å; L112-Y260 CarbonylContact O-C 3.52Å; L112-Y260 VanDerWaalsContact O-CA 3.31Å; L112-Y260 WeakPolarHBondContact O-CA 3.29Å; W132-Y260 VanDerWaalsContact CZ3-CA 3.48Å; Y160-Y260 HydrophobicContact CD2-CD2 4.35Å; Y160-Y260 HydrophobicContact CD2-CE2 4.13Å; Y160-Y260 HydrophobicContact CE2-CD2 4.08Å; Y160-Y260 HydrophobicContact CE2-CE2 4.09Å; K162-Y260 HydrophobicContact CB-CD1 4.4Å; K162-Y260 HydrophobicContact CB-CD2 4.14Å; K162-Y260 HydrophobicContact CB-CE1 4.02Å; K162-Y260 HydrophobicContact CB-CE2 3.7Å; K162-Y260 HydrophobicContact CB-CG 4.47Å; K162-Y260 HydrophobicContact CD-CD1 4.43Å; K162-Y260 HydrophobicContact CD-CE1 3.57Å; K162-Y260 WeakPolarHBondContact CD-OH 3.38Å; K162-Y260 HydrophobicContact CG-CE1 4.42Å; K162-Y260 PolarHBondContact N-O 3.15Å; K162-Y260 PolarHBondContact O-N 3.14Å |
| 261 | F | 98.5 | Very high | 94 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 141.9 | -179.3 | 168.1 | -124.9 | 0 | 0 | 0 | 110.9 | L112 W132 L149 V159 Y160 V161 L242 V244 | L112-F261 PolarHBondContact N-O 3.03Å; L112-F261 PolarHBondContact O-N 2.79Å; W132-F261 HydrophobicContact CD2-CB 3.94Å; W132-F261 HydrophobicContact CE3-CB 4.09Å; W132-F261 HydrophobicContact CH2-CB 3.64Å; W132-F261 HydrophobicContact CZ2-CB 3.43Å; W132-F261 VanDerWaalsContact CZ2-CB 3.43Å; W132-F261 HydrophobicContact CZ2-CG 4.2Å; W132-F261 HydrophobicContact CZ3-CB 3.97Å; W132-F261 AromaticContact NE1-CD1 3.85Å; L149-F261 HydrophobicContact CB-CE1 3.68Å; L149-F261 HydrophobicContact CB-CZ 4.33Å; L149-F261 HydrophobicContact CD2-CE1 3.84Å; L149-F261 HydrophobicContact CD2-CZ 3.97Å; L149-F261 HydrophobicContact CG-CE1 4.42Å; V159-F261 HydrophobicContact CG1-CE2 3.69Å; V159-F261 HydrophobicContact CG1-CZ 4.37Å; Y160-F261 VanDerWaalsContact O-CD2 3.31Å; Y160-F261 WeakPolarHBondContact O-CD2 3.45Å; V161-F261 HydrophobicContact CB-CD2 4.04Å; V161-F261 HydrophobicContact CG2-CB 4.24Å; V161-F261 HydrophobicContact CG2-CD2 4.31Å; L242-F261 HydrophobicContact CB-CE1 4.3Å; L242-F261 HydrophobicContact CB-CZ 3.67Å; L242-F261 HydrophobicContact CD1-CZ 4.19Å; V244-F261 HydrophobicContact CG2-CB 4.23Å; V244-F261 HydrophobicContact CG2-CD1 4.1Å; V244-F261 HydrophobicContact CG2-CD2 3.72Å; V244-F261 HydrophobicContact CG2-CE1 4.45Å; V244-F261 HydrophobicContact CG2-CE2 4.12Å; V244-F261 HydrophobicContact CG2-CG 3.74Å; V244-F261 HydrophobicContact CG2-CZ 4.49Å |
| 262 | G | 98.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.4 | 171.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | A110 Y160 | A110-G262 CarbonylContact O-C 3.49Å; A110-G262 WeakPolarHBondContact O-CA 3.34Å; Y160-G262 PolarHBondContact N-O 2.7Å; Y160-G262 PolarHBondContact O-N 3.07Å; Y160-G262 VanDerWaalsContact O-O 3.1Å |
| 263 | A | 98.4 | Very high | 94 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 145.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | S109 A110 M142 L149 Y157 Y158 V159 L242 | S109-A263 CarbonylContact C-O 3.49Å; S109-A263 VanDerWaalsContact CA-O 3.26Å; S109-A263 WeakPolarHBondContact CA-O 3.49Å; A110-A263 PolarHBondContact N-O 2.96Å; A110-A263 PolarHBondContact O-N 3.41Å; M142-A263 HydrophobicContact CE-CB 4.15Å; M142-A263 HydrophobicContact SD-CB 4.39Å; L149-A263 HydrophobicContact CD2-CB 3.91Å; Y157-A263 HydrophobicContact CD1-CB 4.21Å; Y158-A263 CarbonylContact O-C 3.58Å; Y158-A263 VanDerWaalsContact O-CA 3.27Å; Y158-A263 WeakPolarHBondContact O-CA 3.47Å; V159-A263 HydrophobicContact CG2-CB 4.07Å; L242-A263 HydrophobicContact CD1-CB 4.21Å |
| 264 | V | 97.9 | Very high | 93.9 | Very high | 54 Ų | 54 | 57.7 Ų | 57.7 | 33% | 0.327 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 129.4 | 173.1 | -180 | 0 | 0 | 0 | 0 | 108.3 | Y157 Y158 Y160 W266 | Y157-V264 CarbonylContact C-O 3.58Å; Y157-V264 WeakPolarHBondContact CA-O 3.49Å; Y158-V264 PolarHBondContact N-O 2.89Å; Y158-V264 PolarHBondContact O-N 2.77Å; Y160-V264 HydrophobicContact CE1-CG2 4.45Å; V264-W266 PolarHBondContact O-N 3.14Å |
| 265 | K | 97.1 | Very high | 93.9 | Very high | 26 Ų | 26 | 57.1 Ų | 57.1 | 11% | 0.113 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 124.2 | 173.5 | -175.8 | 171 | 171.9 | 174.8 | 0 | 108.5 | T107 P108 E153 S154 L156 Y157 N268 | T107-K265 HydrophobicContact CG2-CB 3.72Å; T107-K265 HydrophobicContact CG2-CG 4.41Å; T107-K265 WeakPolarHBondContact CG2-O 3.24Å; P108-K265 HydrophobicContact CB-CB 4.03Å; P108-K265 HydrophobicContact CB-CD 4.42Å; P108-K265 HydrophobicContact CG-CB 4.22Å; P108-K265 HydrophobicContact CG-CD 3.82Å; P108-K265 PolarHBondContact O-N 2.97Å; E153-K265 IonicContact OE2-NZ 3.06Å; E153-K265 PolarHBondContact OE2-NZ 2.79Å; S154-K265 WeakPolarHBondContact O-CE 2.98Å; S154-K265 PolarHBondContact O-NZ 3Å; L156-K265 CarbonylContact O-C 3.57Å; Y157-K265 HydrophobicContact CD1-CB 4.04Å; Y157-K265 HydrophobicContact CE1-CB 3.65Å; Y157-K265 HydrophobicContact CE1-CG 4.45Å; Y157-K265 HydrophobicContact CE2-CB 4.33Å; Y157-K265 HydrophobicContact CE2-CD 4.35Å; Y157-K265 HydrophobicContact CE2-CG 4.27Å; K265-N268 WeakPolarHBondContact CE-OD1 3.31Å; K265-N268 PolarHBondContact NZ-OD1 3.13Å; K265-N268 VanDerWaalsContact NZ-OD1 3.12Å |
| 266 | W | 89.4 | Confident | 93.9 | Very high | 204 Ų | 204 | 54.3 Ų | 54.3 | 77% | 0.773 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99 | -32.7 | -179 | -176.6 | -81.8 | 0 | 0 | 0 | 111.8 | L156 V264 | L156-W266 PolarHBondContact O-N 2.88Å; V264-W266 PolarHBondContact O-N 3.14Å |
| 267 | G | 87.3 | Confident | 93.9 | Very high | 24 Ų | 24 | 55.3 Ų | 55.3 | 25% | 0.247 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.1 | -175.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | G155 L156 | G155-G267 WeakPolarHBondContact CA-O 3.38Å; L156-G267 PolarHBondContact N-O 3.04Å; L156-G267 PolarHBondContact O-N 2.81Å |
| 268 | N | 83.1 | Confident | 94.1 | Very high | 168 Ų | 168 | 48 Ų | 48 | 90% | 0.898 | 24% | 0.237 | S | C | * | . | trans | -103.4 | 0 | 172.6 | -67.1 | -19.9 | 0 | 0 | 0 | 110.3 | K265 | K265-N268 WeakPolarHBondContact CE-OD1 3.31Å; K265-N268 PolarHBondContact NZ-OD1 3.13Å; K265-N268 VanDerWaalsContact NZ-OD1 3.12Å |
Retrieved 268 of 268 residues in 605.5 ms
(Link to these results)