| 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 | 42.6 | Very low | 52.2 | Low | 231 Ų | 231 | 178 Ų | 178 | 100% | 1.138 | 86% | 0.862 | S | S | * | * | 0 | 108.2 | 0 | -81.6 | -177.2 | 172.7 | 0 | 0 | 108.4 | |||||
| 2 | F | 42.7 | Very low | 53 | Low | 210 Ų | 210 | 177.6 Ų | 177.6 | 92% | 0.921 | 86% | 0.858 | S | S | * | * | trans | -127.4 | 112.6 | 166.6 | -67.5 | -74.5 | 0 | 0 | 0 | 107.2 | L4 | F2-L4 PolarHBondContact O-N 3.45Š| ||
| 3 | L | 48.9 | Very low | 53.6 | Low | 178 Ų | 178 | 178.5 Ų | 178.5 | 93% | 0.932 | 86% | 0.86 | S | S | * | * | trans | -71.7 | 115.2 | -177.2 | -76.3 | 160.4 | 0 | 0 | 0 | 109.3 | K5 | L3-K5 PolarHBondContact O-N 3.33Š| ||
| 4 | L | 56.8 | Low | 54.3 | Low | 166 Ų | 166 | 179.4 Ų | 179.4 | 87% | 0.869 | 86% | 0.858 | S | S | * | * | trans | -67.6 | 102.3 | 168.2 | -71.2 | 169.2 | 0 | 0 | 0 | 108.6 | F2 V6 | F2-L4 PolarHBondContact O-N 3.45Å; L4-V6 PolarHBondContact O-N 2.8Å; L4-V6 VanDerWaalsContact O-N 3.11Å | ||
| 5 | K | 60 | Low | 54.8 | Low | 193 Ų | 193 | 180.5 Ų | 180.5 | 84% | 0.839 | 86% | 0.858 | S | S | * | * | trans | -74.9 | 98.6 | 170.6 | -163.7 | 173.9 | 178.9 | 97.7 | 0 | 107.8 | L3 V7 | L3-K5 PolarHBondContact O-N 3.33Å; K5-V7 PolarHBondContact O-N 3.49Å | ||
| 6 | V | 58.4 | Low | 55.3 | Low | 123 Ų | 123 | 178.8 Ų | 178.8 | 75% | 0.745 | 86% | 0.862 | S | S | * | * | trans | -62.1 | 104.3 | 170.1 | 170.5 | 0 | 0 | 0 | 0 | 108.1 | L4 K8 | L4-V6 PolarHBondContact O-N 2.8Å; L4-V6 VanDerWaalsContact O-N 3.11Å; V6-K8 PolarHBondContact O-N 2.95Å | ||
| 7 | V | 49.8 | Very low | 55.8 | Low | 120 Ų | 120 | 172.9 Ų | 172.9 | 73% | 0.727 | 84% | 0.843 | S | S | * | * | trans | -73.8 | 107.9 | 168.9 | 172.7 | 0 | 0 | 0 | 0 | 107 | K5 K9 | K5-V7 PolarHBondContact O-N 3.49Å; V7-K9 PolarHBondContact O-N 2.58Å; V7-K9 VanDerWaalsContact O-N 3.13Å | ||
| 8 | K | 53.2 | Low | 56.4 | Low | 179 Ų | 179 | 170 Ų | 170 | 78% | 0.778 | 84% | 0.844 | S | S | * | * | trans | -67 | 106.8 | 168 | -73.2 | -177.2 | 176.4 | 178.5 | 0 | 108.1 | V6 H10 | V6-K8 PolarHBondContact O-N 2.95Å; K8-H10 PolarHBondContact O-N 3.33Å | ||
| 9 | K | 53.6 | Low | 57.3 | Low | 200 Ų | 200 | 168.1 Ų | 168.1 | 87% | 0.87 | 84% | 0.835 | S | S | * | * | trans | -67.4 | 111.2 | 162.9 | -93.4 | -175 | 173.9 | 176.3 | 0 | 107.4 | V7 E11 | V7-K9 PolarHBondContact O-N 2.58Å; V7-K9 VanDerWaalsContact O-N 3.13Å; K9-E11 PolarHBondContact O-N 3.27Å | ||
| 10 | H | 49.4 | Very low | 58.2 | Low | 171 Ų | 171 | 171.3 Ų | 171.3 | 79% | 0.792 | 84% | 0.837 | S | S | * | * | trans | -68.9 | 108.6 | 161.1 | -91.1 | -95.3 | 0 | 0 | 0 | 107.4 | K8 E12 | K8-H10 PolarHBondContact O-N 3.33Å; H10-E12 PolarHBondContact O-N 3.44Å | ||
| 11 | E | 59.1 | Low | 59.2 | Low | 187 Ų | 187 | 170.7 Ų | 170.7 | 87% | 0.874 | 84% | 0.836 | S | S | * | * | trans | -67.6 | 89.9 | 159.2 | -100.8 | -176.7 | 161 | 0 | 0 | 107.3 | K9 Q13 | K9-E11 PolarHBondContact O-N 3.27Å; E11-Q13 PolarHBondContact O-N 3.39Å; E11-Q13 VanDerWaalsContact O-N 3.12Å | ||
| 12 | E | 61.3 | Low | 60.8 | Low | 173 Ų | 173 | 169.4 Ų | 169.4 | 81% | 0.808 | 82% | 0.819 | S | S | * | * | trans | -64.2 | 112.3 | 159.2 | -71.3 | -173.5 | 169.4 | 0 | 0 | 106.6 | H10 K14 | H10-E12 PolarHBondContact O-N 3.44Å; E12-K14 VanDerWaalsContact C-N 3.29Å; E12-K14 PolarHBondContact O-N 3.26Å | ||
| 13 | Q | 60.9 | Low | 62.5 | Low | 190 Ų | 190 | 169.7 Ų | 169.7 | 89% | 0.888 | 82% | 0.819 | S | S | * | * | trans | -57.6 | 98.4 | 170.3 | -69.6 | -160.9 | -15.9 | 0 | 0 | 107.9 | E11 K15 | E11-Q13 PolarHBondContact O-N 3.39Å; E11-Q13 VanDerWaalsContact O-N 3.12Å; Q13-K15 PolarHBondContact O-N 3.16Å | ||
| 14 | K | 63 | Low | 63.9 | Low | 191 Ų | 191 | 166.3 Ų | 166.3 | 83% | 0.83 | 81% | 0.806 | S | S | * | * | trans | -55.8 | 114 | 172.9 | -89.4 | 179.4 | 176.1 | 174.6 | 0 | 107.1 | E12 V16 | E12-K14 VanDerWaalsContact C-N 3.29Å; E12-K14 PolarHBondContact O-N 3.26Å; K14-V16 PolarHBondContact O-N 3.39Å | ||
| 15 | K | 63 | Low | 64.9 | Low | 196 Ų | 196 | 166.2 Ų | 166.2 | 85% | 0.852 | 81% | 0.806 | S | S | * | * | trans | -52.4 | 110.9 | 172.3 | -142.5 | 167.5 | -173.6 | 174.9 | 0 | 107.3 | Q13 S17 | Q13-K15 PolarHBondContact O-N 3.16Å; K15-S17 PolarHBondContact O-N 3.09Å | ||
| 16 | V | 62.2 | Low | 65.7 | Low | 152 Ų | 152 | 162.4 Ų | 162.4 | 92% | 0.921 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -70.9 | 3 | -164.4 | -142.2 | 0 | 0 | 0 | 0 | 113.7 | K14 | K14-V16 PolarHBondContact O-N 3.39Š|
| 17 | S | 63.7 | Low | 66.5 | Low | 79 Ų | 79 | 166.3 Ų | 166.3 | 55% | 0.552 | 81% | 0.808 | S | S | * | * | trans | -136.3 | 99.4 | 172.3 | 55.4 | 0 | 0 | 0 | 0 | 110.6 | K15 I19 | K15-S17 PolarHBondContact O-N 3.09Å; S17-I19 PolarHBondContact O-N 3.08Å | ||
| 18 | S | 66.6 | Low | 67.4 | Low | 121 Ų | 121 | 165.9 Ų | 165.9 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | trans | -70.5 | 4.2 | 162.4 | 57.8 | 0 | 0 | 0 | 0 | 112.3 | R20 | S18-R20 PolarHBondContact O-N 2.64Š| ||
| 19 | I | 72.9 | Confident | 68.2 | Low | 134 Ų | 134 | 164.5 Ų | 164.5 | 69% | 0.687 | 80% | 0.804 | S | S | * | * | trans | -70.7 | 100.4 | 179.8 | -57 | 174.2 | 0 | 0 | 0 | 108.9 | S17 I21 | S17-I19 PolarHBondContact O-N 3.08Å; I19-I21 PolarHBondContact O-N 3.39Å; I19-I21 VanDerWaalsContact O-N 3.16Å | ||
| 20 | R | 75.7 | Confident | 69.1 | Low | 231 Ų | 231 | 160.2 Ų | 160.2 | 87% | 0.872 | 80% | 0.795 | S | S | * | * | trans | -70.9 | 103.7 | 165.9 | -88.4 | 176.5 | 171.8 | 156.2 | -2.7 | 109.2 | S18 R22 | S18-R20 PolarHBondContact O-N 2.64Å; R20-R22 PolarHBondContact O-N 3.43Å; R20-R22 VanDerWaalsContact O-N 3.1Å | ||
| 21 | I | 79.3 | Confident | 70.4 | Confident | 159 Ų | 159 | 157.7 Ų | 157.7 | 82% | 0.815 | 79% | 0.787 | S | S | * | * | trans | -66.1 | 108.1 | 168 | -56.9 | 175.6 | 0 | 0 | 0 | 107.5 | I19 | I19-I21 PolarHBondContact O-N 3.39Å; I19-I21 VanDerWaalsContact O-N 3.16Å | ||
| 22 | R | 76.1 | Confident | 71.6 | Confident | 205 Ų | 205 | 151.6 Ų | 151.6 | 77% | 0.774 | 76% | 0.76 | S | S | * | * | trans | -76.9 | 137.7 | 172.3 | -61.3 | -176.2 | -176.9 | -168.4 | 0.7 | 108 | R20 T24 | R20-R22 PolarHBondContact O-N 3.43Å; R20-R22 VanDerWaalsContact O-N 3.1Å; R22-T24 PolarHBondContact O-N 2.91Å | ||
| 23 | K | 78.8 | Confident | 72.8 | Confident | 215 Ų | 215 | 145.2 Ų | 145.2 | 94% | 0.935 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -68 | -14.1 | 173.7 | -57.6 | -175.6 | 81.1 | 176.5 | 0 | 112.4 | ||
| 24 | T | 78.8 | Confident | 74.1 | Confident | 107 Ų | 107 | 142.2 Ų | 142.2 | 66% | 0.656 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -106.4 | 133.3 | -178.4 | 50.8 | 0 | 0 | 0 | 0 | 111 | R22 | R22-T24 PolarHBondContact O-N 2.91Š|
| 25 | L | 76.2 | Confident | 75.3 | Confident | 164 Ų | 164 | 140.2 Ų | 140.2 | 86% | 0.859 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 140.8 | 177.3 | -62.4 | 175.5 | 0 | 0 | 0 | 110.3 | ||
| 26 | P | 78.8 | Confident | 76.4 | Confident | 114 Ų | 114 | 133 Ų | 133 | 74% | 0.74 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 142.5 | 172.1 | 24.7 | -31.8 | 0 | 0 | 0 | 109.8 | ||
| 27 | K | 74.3 | Confident | 77.5 | Confident | 204 Ų | 204 | 131.1 Ų | 131.1 | 89% | 0.887 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 124.3 | 179.3 | -71.2 | 179.3 | -179.8 | 177.5 | 0 | 108.7 | ||
| 28 | P | 69.8 | Low | 78.8 | Confident | 112 Ų | 112 | 132.2 Ų | 132.2 | 73% | 0.727 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 143.6 | 178.4 | 24.4 | -32.2 | 0 | 0 | 0 | 109.7 | T30 | P28-T30 PolarHBondContact O-N 3.48Å; P28-T30 VanDerWaalsContact O-N 3.13Å |
| 29 | Q | 69.1 | Low | 79.6 | Confident | 149 Ų | 149 | 131.4 Ų | 131.4 | 70% | 0.696 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 120.1 | 175.9 | -67.4 | -171.4 | -4 | 0 | 0 | 109 | N31 L32 | Q29-N31 PolarHBondContact O-N 3.39Å; Q29-L32 HydrophobicContact CB-CD1 4.13Å; Q29-L32 HydrophobicContact CB-CG 4.17Å; Q29-L32 PolarHBondContact O-N 3.36Å |
| 30 | T | 73.3 | Confident | 80.2 | Confident | 111 Ų | 111 | 130.8 Ų | 130.8 | 68% | 0.681 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64 | -18.1 | -163.3 | 60.7 | 0 | 0 | 0 | 0 | 113.5 | P28 K39 | P28-T30 PolarHBondContact O-N 3.48Å; P28-T30 VanDerWaalsContact O-N 3.13Å; T30-K39 PolarHBondContact O-NZ 2.97Å; T30-K39 VanDerWaalsContact O-NZ 3.1Å |
| 31 | N | 75.3 | Confident | 80.5 | Confident | 118 Ų | 118 | 126.3 Ų | 126.3 | 63% | 0.631 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.7 | 7.2 | -174.4 | -58.1 | -37 | 0 | 0 | 0 | 114.3 | Q29 K39 | Q29-N31 PolarHBondContact O-N 3.39Å; N31-K39 WeakPolarHBondContact O-CB 3.5Å; N31-K39 PolarHBondContact O-N 3.38Å |
| 32 | L | 85 | Confident | 80.6 | Confident | 58 Ų | 58 | 129.4 Ų | 129.4 | 30% | 0.304 | 68% | 0.682 | S | S | . | * | B | Isolated β-bridge | trans | -101.6 | 141 | 175.7 | -57.9 | -176.6 | 0 | 0 | 0 | 111.5 | Q29 L37 K39 | Q29-L32 HydrophobicContact CB-CD1 4.13Å; Q29-L32 HydrophobicContact CB-CG 4.17Å; Q29-L32 PolarHBondContact O-N 3.36Å; L32-L37 CarbonylContact C-O 3.51Å; L32-L37 VanDerWaalsContact CA-O 3.31Å; L32-L37 WeakPolarHBondContact CA-O 3.19Å; L32-K39 WeakPolarHBondContact O-CE 3.34Å; L32-K39 PolarHBondContact O-NZ 3.21Å |
| 33 | T | 85.8 | Confident | 80.8 | Confident | 39 Ų | 39 | 124.5 Ų | 124.5 | 24% | 0.239 | 67% | 0.674 | C | S | . | * | trans | -62.1 | 161.8 | 164.1 | 63 | 0 | 0 | 0 | 0 | 108.8 | M35 G36 L37 K39 | T33-M35 PolarHBondContact O-N 3.07Å; T33-M35 PolarHBondContact OG1-N 2.97Å; T33-G36 PolarHBondContact O-N 3.09Å; T33-L37 PolarHBondContact N-O 2.99Å; T33-L37 WeakPolarHBondContact OG1-CB 3.33Å; T33-L37 PolarHBondContact OG1-N 3.15Å; T33-L37 VanDerWaalsContact OG1-N 3.13Å; T33-L37 PolarHBondContact OG1-O 3.28Å; T33-K39 HydrophobicContact CG2-CG 3.85Å | ||
| 34 | P | 87.9 | Confident | 81 | Confident | 128 Ų | 128 | 123.5 Ų | 123.5 | 83% | 0.831 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.6 | -19.4 | 171.8 | 22.3 | -34.4 | 0 | 0 | 0 | 113.4 | G36 | P34-G36 VanDerWaalsContact C-N 3.3Š|
| 35 | M | 89.4 | Confident | 81.2 | Confident | 149 Ų | 149 | 124 Ų | 124 | 73% | 0.734 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | 7.8 | 174.2 | -59.1 | -65.6 | 86.5 | 0 | 0 | 113.9 | T33 L37 | T33-M35 PolarHBondContact O-N 3.07Å; T33-M35 PolarHBondContact OG1-N 2.97Å; M35-L37 HydrophobicContact CB-CG 4.5Å; M35-L37 PolarHBondContact O-N 3.24Å |
| 36 | G | 86.3 | Confident | 81.5 | Confident | 45 Ų | 45 | 124.9 Ų | 124.9 | 46% | 0.464 | 66% | 0.66 | S | S | . | * | S | Bend | trans | 75.2 | 4.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | T33 P34 | T33-G36 PolarHBondContact O-N 3.09Å; P34-G36 VanDerWaalsContact C-N 3.3Å |
| 37 | L | 85.4 | Confident | 81.8 | Confident | 111 Ų | 111 | 126.6 Ų | 126.6 | 58% | 0.581 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 147.1 | 178.7 | -59.5 | 174.7 | 0 | 0 | 0 | 111.1 | L32 T33 M35 K39 | L32-L37 CarbonylContact C-O 3.51Å; L32-L37 VanDerWaalsContact CA-O 3.31Å; L32-L37 WeakPolarHBondContact CA-O 3.19Å; T33-L37 PolarHBondContact N-O 2.99Å; T33-L37 WeakPolarHBondContact OG1-CB 3.33Å; T33-L37 PolarHBondContact OG1-N 3.15Å; T33-L37 VanDerWaalsContact OG1-N 3.13Å; T33-L37 PolarHBondContact OG1-O 3.28Å; M35-L37 HydrophobicContact CB-CG 4.5Å; M35-L37 PolarHBondContact O-N 3.24Å; L37-K39 PolarHBondContact O-N 3.25Å |
| 38 | P | 89.5 | Confident | 82.1 | Confident | 103 Ų | 103 | 123 Ų | 123 | 67% | 0.669 | 65% | 0.648 | S | S | * | * | B | Isolated β-bridge | trans | -56.1 | 125 | 172 | -22.6 | 32.9 | 0 | 0 | 0 | 111 | ||
| 39 | K | 84.9 | Confident | 82.9 | Confident | 103 Ų | 103 | 120.3 Ų | 120.3 | 45% | 0.448 | 63% | 0.632 | S | S | . | * | P | Polyproline II helix | trans | -63.7 | 135.7 | 173.2 | -73.6 | 177.7 | 179.6 | 150.1 | 0 | 108.9 | T30 N31 L32 T33 L37 V41 | T30-K39 PolarHBondContact O-NZ 2.97Å; T30-K39 VanDerWaalsContact O-NZ 3.1Å; N31-K39 WeakPolarHBondContact O-CB 3.5Å; N31-K39 PolarHBondContact O-N 3.38Å; L32-K39 WeakPolarHBondContact O-CE 3.34Å; L32-K39 PolarHBondContact O-NZ 3.21Å; T33-K39 HydrophobicContact CG2-CG 3.85Å; L37-K39 PolarHBondContact O-N 3.25Å; K39-V41 PolarHBondContact O-N 2.96Å |
| 40 | P | 84.1 | Confident | 83.7 | Confident | 121 Ų | 121 | 119.4 Ų | 119.4 | 79% | 0.786 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -61 | 134.5 | 174.5 | 25.1 | -32.7 | 0 | 0 | 0 | 110.1 | R42 | P40-R42 PolarHBondContact O-N 2.89Š|
| 41 | V | 82 | Confident | 84.1 | Confident | 138 Ų | 138 | 119.9 Ų | 119.9 | 84% | 0.836 | 63% | 0.625 | S | S | * | * | trans | -73.4 | 114.6 | -178.7 | 179.9 | 0 | 0 | 0 | 0 | 109.1 | K39 V43 | K39-V41 PolarHBondContact O-N 2.96Å; V41-V43 PolarHBondContact O-N 3.01Å | ||
| 42 | R | 81.6 | Confident | 84.5 | Confident | 224 Ų | 224 | 118 Ų | 118 | 85% | 0.845 | 61% | 0.612 | S | S | * | * | trans | -76.2 | 116.5 | 175 | -169.4 | 176.1 | -178.6 | 108.7 | -0.9 | 109.5 | P40 K44 | P40-R42 PolarHBondContact O-N 2.89Å; R42-K44 PolarHBondContact O-N 3.06Å | ||
| 43 | V | 80.6 | Confident | 84.2 | Confident | 101 Ų | 101 | 119.6 Ų | 119.6 | 61% | 0.612 | 62% | 0.621 | S | S | * | * | trans | -64.5 | 116.1 | 174.7 | -176.5 | 0 | 0 | 0 | 0 | 109.1 | V41 K45 | V41-V43 PolarHBondContact O-N 3.01Å; V43-K45 VanDerWaalsContact C-N 3.29Å; V43-K45 HydrophobicContact CG1-CB 4Å; V43-K45 HydrophobicContact CG1-CD 3.65Å; V43-K45 HydrophobicContact CG1-CG 3.51Å; V43-K45 PolarHBondContact O-N 3.44Å | ||
| 44 | K | 81.9 | Confident | 83.9 | Confident | 194 Ų | 194 | 126.6 Ų | 126.6 | 84% | 0.843 | 64% | 0.644 | S | S | * | * | trans | -93.2 | 41.1 | 177.9 | -64.3 | -174.2 | -178.2 | 177.9 | 0 | 112.1 | R42 | R42-K44 PolarHBondContact O-N 3.06Š| ||
| 45 | K | 83.4 | Confident | 83.7 | Confident | 117 Ų | 117 | 123.7 Ų | 123.7 | 51% | 0.509 | 62% | 0.624 | S | S | . | * | trans | -74.7 | 139.4 | 173.1 | -72 | 177.3 | 179.4 | -169 | 0 | 109.1 | V43 F48 E52 | V43-K45 VanDerWaalsContact C-N 3.29Å; V43-K45 HydrophobicContact CG1-CB 4Å; V43-K45 HydrophobicContact CG1-CD 3.65Å; V43-K45 HydrophobicContact CG1-CG 3.51Å; V43-K45 PolarHBondContact O-N 3.44Å; K45-F48 HydrophobicContact CB-CE1 4.4Å; K45-F48 HydrophobicContact CB-CZ 4.41Å; K45-E52 IonicContact NZ-OE1 2.97Å | ||
| 46 | K | 82.3 | Confident | 83.1 | Confident | 183 Ų | 183 | 120.6 Ų | 120.6 | 80% | 0.796 | 61% | 0.61 | S | S | * | * | trans | -106.7 | -34.6 | -179.8 | -71.2 | -65.1 | -174.4 | 174.5 | 0 | 112.1 | ||||
| 47 | D | 86.5 | Confident | 82.9 | Confident | 151 Ų | 151 | 125.5 Ų | 125.5 | 81% | 0.807 | 62% | 0.619 | S | S | * | * | trans | -103.1 | 123.7 | 175.2 | -50.5 | -41.7 | 0 | 0 | 0 | 108.4 | ||||
| 48 | F | 79.4 | Confident | 82.5 | Confident | 129 Ų | 129 | 127.6 Ų | 127.6 | 57% | 0.566 | 63% | 0.631 | S | S | * | * | trans | -110.4 | 136.1 | 176.5 | -67 | -86.7 | 0 | 0 | 0 | 108.3 | K45 I53 | K45-F48 HydrophobicContact CB-CE1 4.4Å; K45-F48 HydrophobicContact CB-CZ 4.41Å; F48-I53 HydrophobicContact CB-CG2 3.83Å; F48-I53 HydrophobicContact CG-CG2 4.46Å | ||
| 49 | S | 87.4 | Confident | 82.2 | Confident | 55 Ų | 55 | 129.2 Ų | 129.2 | 39% | 0.385 | 63% | 0.627 | S | S | . | * | trans | -74.7 | 153.9 | 173 | 79.6 | 0 | 0 | 0 | 0 | 110.6 | E51 E52 I53 | S49-E51 PolarHBondContact O-N 3.34Å; S49-E52 PolarHBondContact N-OE2 3.19Å; S49-E52 VanDerWaalsContact N-OE2 3.08Å; S49-E52 WeakPolarHBondContact O-CB 3.13Å; S49-E52 PolarHBondContact O-N 3.23Å; S49-E52 VanDerWaalsContact O-N 3.09Å; S49-E52 WeakPolarHBondContact OG-CB 3.26Å; S49-E52 WeakPolarHBondContact OG-CG 3.11Å; S49-E52 PolarHBondContact OG-N 2.79Å; S49-E52 VanDerWaalsContact OG-N 3.16Å; S49-I53 PolarHBondContact O-N 3.1Å | ||
| 50 | L | 84.8 | Confident | 82.2 | Confident | 130 Ų | 130 | 129.2 Ų | 129.2 | 68% | 0.681 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -56.3 | -41.6 | 175.1 | -76.1 | 171.9 | 0 | 0 | 0 | 111.2 | E52 I53 Y54 | L50-E52 VanDerWaalsContact C-N 3.32Å; L50-E52 PolarHBondContact O-N 2.79Å; L50-I53 HydrophobicContact CD2-CD1 4.05Å; L50-I53 WeakPolarHBondContact O-CG1 3.48Å; L50-I53 PolarHBondContact O-N 3Å; L50-Y54 HydrophobicContact CD2-CE2 4.11Å; L50-Y54 WeakPolarHBondContact O-CD2 3.45Å; L50-Y54 PolarHBondContact O-N 3.21Å |
| 51 | E | 82.6 | Confident | 82.3 | Confident | 120 Ų | 120 | 129.4 Ų | 129.4 | 56% | 0.561 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -61.5 | -39.9 | 176.9 | -167 | -171.5 | 138.6 | 0 | 0 | 111.7 | S49 I53 Y54 T55 K57 | S49-E51 PolarHBondContact O-N 3.34Å; E51-I53 PolarHBondContact O-N 3.13Å; E51-Y54 PolarHBondContact O-N 3.1Å; E51-T55 HydrophobicContact CG-CG2 3.58Å; E51-T55 VanDerWaalsContact O-CB 3.26Å; E51-T55 WeakPolarHBondContact O-CB 2.88Å; E51-T55 WeakPolarHBondContact O-CG2 3.5Å; E51-T55 PolarHBondContact O-N 2.95Å; E51-T55 PolarHBondContact O-OG1 3.06Å; E51-K57 IonicContact OE1-NZ 3.45Å; E51-K57 PolarHBondContact OE1-NZ 3.31Å |
| 52 | E | 82.8 | Confident | 82.5 | Confident | 78 Ų | 78 | 126.9 Ų | 126.9 | 36% | 0.364 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -65.2 | -36.4 | -179.6 | -76.4 | 171.9 | 165.3 | 0 | 0 | 113.6 | K45 S49 L50 | K45-E52 IonicContact NZ-OE1 2.97Å; S49-E52 PolarHBondContact N-OE2 3.19Å; S49-E52 VanDerWaalsContact N-OE2 3.08Å; S49-E52 WeakPolarHBondContact O-CB 3.13Å; S49-E52 PolarHBondContact O-N 3.23Å; S49-E52 VanDerWaalsContact O-N 3.09Å; S49-E52 WeakPolarHBondContact OG-CB 3.26Å; S49-E52 WeakPolarHBondContact OG-CG 3.11Å; S49-E52 PolarHBondContact OG-N 2.79Å; S49-E52 VanDerWaalsContact OG-N 3.16Å; L50-E52 VanDerWaalsContact C-N 3.32Å; L50-E52 PolarHBondContact O-N 2.79Å |
| 53 | I | 79.4 | Confident | 82.6 | Confident | 93 Ų | 93 | 120.2 Ų | 120.2 | 48% | 0.477 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -78.1 | -22.6 | 179.5 | 61 | 169.5 | 0 | 0 | 0 | 112.7 | F48 S49 L50 E51 | F48-I53 HydrophobicContact CB-CG2 3.83Å; F48-I53 HydrophobicContact CG-CG2 4.46Å; S49-I53 PolarHBondContact O-N 3.1Å; L50-I53 HydrophobicContact CD2-CD1 4.05Å; L50-I53 WeakPolarHBondContact O-CG1 3.48Å; L50-I53 PolarHBondContact O-N 3Å; E51-I53 PolarHBondContact O-N 3.13Å |
| 54 | Y | 80.3 | Confident | 82.7 | Confident | 186 Ų | 186 | 123.4 Ų | 123.4 | 73% | 0.729 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -103.2 | -26.3 | -177.8 | -72.1 | -64 | 0 | 0 | 0 | 114.1 | L50 E51 N56 | L50-Y54 HydrophobicContact CD2-CE2 4.11Å; L50-Y54 WeakPolarHBondContact O-CD2 3.45Å; L50-Y54 PolarHBondContact O-N 3.21Å; E51-Y54 PolarHBondContact O-N 3.1Å; Y54-N56 VanDerWaalsContact C-N 3.33Å; Y54-N56 PolarHBondContact O-N 2.69Å |
| 55 | T | 82.4 | Confident | 82.5 | Confident | 66 Ų | 66 | 117.8 Ų | 117.8 | 41% | 0.405 | 59% | 0.594 | S | S | . | * | S | Bend | trans | -86.6 | 0.3 | -178.9 | 56.3 | 0 | 0 | 0 | 0 | 114.3 | E51 K57 | E51-T55 HydrophobicContact CG-CG2 3.58Å; E51-T55 VanDerWaalsContact O-CB 3.26Å; E51-T55 WeakPolarHBondContact O-CB 2.88Å; E51-T55 WeakPolarHBondContact O-CG2 3.5Å; E51-T55 PolarHBondContact O-N 2.95Å; E51-T55 PolarHBondContact O-OG1 3.06Å; T55-K57 VanDerWaalsContact C-N 3.27Å; T55-K57 PolarHBondContact O-N 2.81Å; T55-K57 WeakPolarHBondContact OG1-CE 2.91Å |
| 56 | N | 77.9 | Confident | 82.2 | Confident | 84 Ų | 84 | 115.9 Ų | 115.9 | 45% | 0.449 | 58% | 0.584 | S | S | . | * | trans | 17.5 | 68.2 | -176.6 | -166.2 | -3.1 | 0 | 0 | 0 | 113.3 | Y54 N58 F59 | Y54-N56 VanDerWaalsContact C-N 3.33Å; Y54-N56 PolarHBondContact O-N 2.69Å; N56-N58 PolarHBondContact O-N 3.19Å; N56-N58 PolarHBondContact OD1-N 3.46Å; N56-F59 HydrophobicContact CB-CB 4.18Å; N56-F59 WeakPolarHBondContact O-CB 3.42Å; N56-F59 PolarHBondContact O-N 3.36Å; N56-F59 PolarHBondContact OD1-N 2.83Å | ||
| 57 | K | 81.2 | Confident | 81.9 | Confident | 148 Ų | 148 | 112.9 Ų | 112.9 | 64% | 0.643 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | -10 | -176.7 | -59.9 | -176.4 | -178.9 | 178.5 | 0 | 112.8 | E51 T55 | E51-K57 IonicContact OE1-NZ 3.45Å; E51-K57 PolarHBondContact OE1-NZ 3.31Å; T55-K57 VanDerWaalsContact C-N 3.27Å; T55-K57 PolarHBondContact O-N 2.81Å; T55-K57 WeakPolarHBondContact OG1-CE 2.91Å |
| 58 | N | 78 | Confident | 81.3 | Confident | 156 Ų | 156 | 110.5 Ų | 110.5 | 83% | 0.834 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -8.6 | 176.2 | -55.2 | -51.3 | 0 | 0 | 0 | 112.8 | N56 S60 | N56-N58 PolarHBondContact O-N 3.19Å; N56-N58 PolarHBondContact OD1-N 3.46Å; N58-S60 PolarHBondContact O-N 3.19Å |
| 59 | F | 82.6 | Confident | 81 | Confident | 136 Ų | 136 | 106.1 Ų | 106.1 | 60% | 0.596 | 54% | 0.544 | S | S | * | . | trans | -89 | 104.2 | 176.8 | -175.9 | -99.7 | 0 | 0 | 0 | 109.7 | N56 K61 | N56-F59 HydrophobicContact CB-CB 4.18Å; N56-F59 WeakPolarHBondContact O-CB 3.42Å; N56-F59 PolarHBondContact O-N 3.36Å; N56-F59 PolarHBondContact OD1-N 2.83Å; F59-K61 HydrophobicContact CE1-CB 4.25Å | ||
| 60 | S | 84.9 | Confident | 80.4 | Confident | 103 Ų | 103 | 110.6 Ų | 110.6 | 72% | 0.72 | 56% | 0.562 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 127.6 | 158.7 | -173.2 | 0 | 0 | 0 | 0 | 107.9 | N58 P62 | N58-S60 PolarHBondContact O-N 3.19Å; S60-P62 WeakPolarHBondContact O-CD 3.05Å; S60-P62 VanDerWaalsContact O-N 3.16Å |
| 61 | K | 86.4 | Confident | 79.7 | Confident | 125 Ų | 125 | 110.6 Ų | 110.6 | 54% | 0.543 | 56% | 0.557 | S | S | . | * | P | Polyproline II helix | trans | -57.6 | 123.4 | 172.8 | -171.8 | -175.9 | 179 | -169.3 | 0 | 106.7 | F59 E64 | F59-K61 HydrophobicContact CE1-CB 4.25Å; K61-E64 IonicContact NZ-OE1 3.48Å; K61-E64 PolarHBondContact NZ-OE1 3.26Å; K61-E64 IonicContact NZ-OE2 2.95Å; K61-E64 PolarHBondContact NZ-OE2 3.13Å |
| 62 | P | 85.4 | Confident | 79.3 | Confident | 85 Ų | 85 | 105.8 Ų | 105.8 | 55% | 0.552 | 54% | 0.535 | S | S | * | . | P | Polyproline II helix | trans | -57.1 | 149.4 | 176.1 | 24.3 | -32.6 | 0 | 0 | 0 | 109.1 | S60 E64 | S60-P62 WeakPolarHBondContact O-CD 3.05Å; S60-P62 VanDerWaalsContact O-N 3.16Å; P62-E64 PolarHBondContact O-N 3.42Å |
| 63 | P | 85 | Confident | 79.2 | Confident | 85 Ų | 85 | 107.9 Ų | 107.9 | 55% | 0.552 | 55% | 0.552 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 134 | -179.3 | 23.9 | -33.3 | 0 | 0 | 0 | 109.4 | S65 L67 | P63-S65 PolarHBondContact O-N 2.9Å; P63-S65 VanDerWaalsContact O-N 3.15Å; P63-L67 HydrophobicContact CG-CD2 4.29Å |
| 64 | E | 81.3 | Confident | 79.5 | Confident | 167 Ų | 167 | 106 Ų | 106 | 78% | 0.78 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -67 | -13.1 | 179.2 | -150.5 | 113.9 | -144.4 | 0 | 0 | 111.9 | K61 P62 | K61-E64 IonicContact NZ-OE1 3.48Å; K61-E64 PolarHBondContact NZ-OE1 3.26Å; K61-E64 IonicContact NZ-OE2 2.95Å; K61-E64 PolarHBondContact NZ-OE2 3.13Å; P62-E64 PolarHBondContact O-N 3.42Å |
| 65 | S | 78.3 | Confident | 79.5 | Confident | 76 Ų | 76 | 101.1 Ų | 101.1 | 53% | 0.531 | 53% | 0.532 | S | S | . | . | S | Bend | trans | -72.9 | 154.1 | 175.8 | 63.1 | 0 | 0 | 0 | 0 | 111.8 | P63 | P63-S65 PolarHBondContact O-N 2.9Å; P63-S65 VanDerWaalsContact O-N 3.15Å |
| 66 | R | 77.6 | Confident | 79.6 | Confident | 77 Ų | 77 | 103.7 Ų | 103.7 | 29% | 0.291 | 54% | 0.543 | S | S | . | . | P | Polyproline II helix | trans | -50.4 | 147.3 | 166.8 | 176.6 | 173.4 | 163.7 | 126.2 | -16.5 | 109.6 | E72 F85 R92 | R66-E72 IonicContact CZ-OE1 3.19Å; R66-E72 IonicContact CZ-OE2 2.81Å; R66-E72 IonicContact NE-OE1 3.97Å; R66-E72 PolarHBondContact NE-OE1 3.3Å; R66-E72 IonicContact NE-OE2 3.9Å; R66-E72 PolarHBondContact NE-OE2 3.36Å; R66-E72 VanDerWaalsContact NH2-CD 3.34Å; R66-E72 IonicContact NH2-OE1 3.46Å; R66-E72 PolarHBondContact NH2-OE1 3.35Å; R66-E72 IonicContact NH2-OE2 3.31Å; R66-E72 PolarHBondContact NH2-OE2 3.02Å; R66-F85 WeakPolarHBondContact O-CE1 3.41Å; R66-R92 VanDerWaalsContact CZ-CZ 3.49Å |
| 67 | L | 76.1 | Confident | 79.8 | Confident | 121 Ų | 121 | 105.9 Ų | 105.9 | 63% | 0.634 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -93 | 148.2 | 174.4 | -63.7 | 175.8 | 0 | 0 | 0 | 111.3 | P63 F85 | P63-L67 HydrophobicContact CG-CD2 4.29Å; L67-F85 VanDerWaalsContact C-CE1 3.4Å |
| 68 | E | 74.6 | Confident | 79.9 | Confident | 100 Ų | 100 | 109.7 Ų | 109.7 | 47% | 0.467 | 56% | 0.562 | S | S | . | * | P | Polyproline II helix | trans | -61.4 | 150.6 | 176.2 | -59.5 | -169.4 | 157.4 | 0 | 0 | 109.6 | W84 F85 | E68-W84 HydrophobicContact CB-CB 4.09Å; E68-W84 HydrophobicContact CG-CB 4.08Å; E68-F85 HydrophobicContact CB-CE1 4.25Å; E68-F85 HydrophobicContact CB-CZ 4.23Å; E68-F85 HydrophobicContact CG-CD1 4.02Å; E68-F85 HydrophobicContact CG-CD2 3.83Å; E68-F85 HydrophobicContact CG-CE1 3.43Å; E68-F85 VanDerWaalsContact CG-CE1 3.43Å; E68-F85 HydrophobicContact CG-CE2 3.25Å; E68-F85 HydrophobicContact CG-CG 4.22Å; E68-F85 HydrophobicContact CG-CZ 3.06Å; E68-F85 WeakPolarHBondContact OE1-CD2 3.46Å; E68-F85 WeakPolarHBondContact OE1-CE2 3.04Å |
| 69 | T | 71.5 | Confident | 80.3 | Confident | 38 Ų | 38 | 108 Ų | 108 | 23% | 0.233 | 55% | 0.553 | C | S | . | * | trans | -142.6 | 142.7 | 176.1 | -54.3 | 0 | 0 | 0 | 0 | 108.2 | F71 E72 R92 | T69-F71 HydrophobicContact CG2-CB 4.42Å; T69-F71 HydrophobicContact CG2-CD2 3.59Å; T69-F71 HydrophobicContact CG2-CE2 4.32Å; T69-F71 HydrophobicContact CG2-CG 4.39Å; T69-F71 PolarHBondContact O-N 3.27Å; T69-E72 WeakPolarHBondContact O-CB 3.44Å; T69-E72 PolarHBondContact O-N 2.85Å; T69-R92 VanDerWaalsContact OG1-CZ 3.24Å; T69-R92 PolarHBondContact OG1-NH1 3.26Å; T69-R92 PolarHBondContact OG1-NH2 3.41Å | ||
| 70 | I | 74.4 | Confident | 80.4 | Confident | 149 Ų | 149 | 104.7 Ų | 104.7 | 76% | 0.764 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.1 | -9.6 | 179.1 | 61.7 | 172 | 0 | 0 | 0 | 115 | ||
| 71 | F | 70 | Confident | 80.3 | Confident | 129 Ų | 129 | 102 Ų | 102 | 57% | 0.566 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.5 | -2.2 | 178.5 | -56.2 | -63.9 | 0 | 0 | 0 | 113.2 | T69 L94 | T69-F71 HydrophobicContact CG2-CB 4.42Å; T69-F71 HydrophobicContact CG2-CD2 3.59Å; T69-F71 HydrophobicContact CG2-CE2 4.32Å; T69-F71 HydrophobicContact CG2-CG 4.39Å; T69-F71 PolarHBondContact O-N 3.27Å; F71-L94 HydrophobicContact CD1-CD1 4.31Å; F71-L94 HydrophobicContact CE1-CD1 3.91Å; F71-L94 HydrophobicContact CZ-CD1 4.15Å; F71-L94 HydrophobicContact CZ-CD2 4.15Å |
| 72 | E | 75.3 | Confident | 80.3 | Confident | 20 Ų | 20 | 101.8 Ų | 101.8 | 9% | 0.093 | 54% | 0.54 | C | S | . | . | S | Bend | trans | -84.9 | 135 | 178.3 | -148.7 | 136.4 | 175.4 | 0 | 0 | 109 | R66 T69 W84 G86 R92 | R66-E72 IonicContact CZ-OE1 3.19Å; R66-E72 IonicContact CZ-OE2 2.81Å; R66-E72 IonicContact NE-OE1 3.97Å; R66-E72 PolarHBondContact NE-OE1 3.3Å; R66-E72 IonicContact NE-OE2 3.9Å; R66-E72 PolarHBondContact NE-OE2 3.36Å; R66-E72 VanDerWaalsContact NH2-CD 3.34Å; R66-E72 IonicContact NH2-OE1 3.46Å; R66-E72 PolarHBondContact NH2-OE1 3.35Å; R66-E72 IonicContact NH2-OE2 3.31Å; R66-E72 PolarHBondContact NH2-OE2 3.02Å; T69-E72 WeakPolarHBondContact O-CB 3.44Å; T69-E72 PolarHBondContact O-N 2.85Å; E72-W84 HydrophobicContact CB-CB 4.45Å; E72-W84 VanDerWaalsContact CB-O 3.24Å; E72-W84 WeakPolarHBondContact CB-O 3.24Å; E72-W84 WeakPolarHBondContact CG-O 3.31Å; E72-G86 WeakPolarHBondContact OE1-CA 3.39Å; E72-G86 PolarHBondContact OE1-N 2.99Å; E72-R92 IonicContact OE2-CZ 3.75Å; E72-R92 IonicContact OE2-NH2 3.95Å; E72-R92 PolarHBondContact OE2-NH2 3.1Å |
| 73 | V | 80.9 | Confident | 79.9 | Confident | 121 Ų | 121 | 98 Ų | 98 | 73% | 0.733 | 52% | 0.515 | S | S | * | . | P | Polyproline II helix | trans | -73 | 131.9 | 175.8 | 178 | 0 | 0 | 0 | 0 | 108.3 | L75 | V73-L75 PolarHBondContact O-N 2.93Š|
| 74 | P | 84.6 | Confident | 79.4 | Confident | 53 Ų | 53 | 98.5 Ų | 98.5 | 34% | 0.344 | 51% | 0.506 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 129.8 | 179.4 | 20.2 | -25.5 | 0 | 0 | 0 | 110.2 | W84 | P74-W84 HydrophobicContact CB-CD2 4.07Å; P74-W84 HydrophobicContact CB-CE3 4.01Å; P74-W84 HydrophobicContact CB-CH2 3.81Å; P74-W84 HydrophobicContact CB-CZ2 3.86Å; P74-W84 HydrophobicContact CB-CZ3 3.9Å; P74-W84 VanDerWaalsContact CD-CZ3 3.44Å; P74-W84 HydrophobicContact CG-CE3 4.22Å; P74-W84 HydrophobicContact CG-CH2 3.59Å; P74-W84 HydrophobicContact CG-CZ2 4.14Å; P74-W84 HydrophobicContact CG-CZ3 3.66Å |
| 75 | L | 81.3 | Confident | 78.9 | Confident | 85 Ų | 85 | 93.4 Ų | 93.4 | 45% | 0.445 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 125.5 | 179.5 | -176.5 | 67.4 | 0 | 0 | 0 | 109.9 | V73 R77 S83 | V73-L75 PolarHBondContact O-N 2.93Å; L75-R77 PolarHBondContact O-N 3.45Å; L75-S83 PolarHBondContact N-O 2.89Å; L75-S83 PolarHBondContact O-N 3.03Å; L75-S83 PolarHBondContact O-OG 3.13Å |
| 76 | N | 84.3 | Confident | 78.5 | Confident | 119 Ų | 119 | 91 Ų | 91 | 64% | 0.636 | 47% | 0.469 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 121.7 | 176.9 | -68 | -44.9 | 0 | 0 | 0 | 111 | ||
| 77 | R | 81.6 | Confident | 78 | Confident | 130 Ų | 130 | 93.5 Ų | 93.5 | 49% | 0.491 | 50% | 0.495 | S | S | . | . | trans | -86.5 | 160.7 | 171.6 | -63.3 | -172.3 | 176.6 | -153.1 | 2.7 | 110.5 | L75 N79 G80 S81 S83 | L75-R77 PolarHBondContact O-N 3.45Å; R77-N79 WeakPolarHBondContact CB-OD1 3.09Å; R77-N79 PolarHBondContact O-N 3.11Å; R77-G80 PolarHBondContact O-N 3Å; R77-S81 WeakPolarHBondContact CB-O 3.49Å; R77-S81 PolarHBondContact N-O 3.31Å; R77-S83 PolarHBondContact NE-OG 3.16Å | ||
| 78 | K | 84.6 | Confident | 77.8 | Confident | 229 Ų | 229 | 97.2 Ų | 97.2 | 100% | 0.996 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -21.5 | -179.3 | -63.6 | -177.5 | 178.3 | -176.9 | 0 | 114.2 | G80 | K78-G80 VanDerWaalsContact C-N 3.34Š|
| 79 | N | 85.1 | Confident | 77.6 | Confident | 120 Ų | 120 | 103.3 Ų | 103.3 | 64% | 0.642 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | 9.1 | 177.3 | 61.7 | -35.8 | 0 | 0 | 0 | 113.4 | R77 S81 | R77-N79 WeakPolarHBondContact CB-OD1 3.09Å; R77-N79 PolarHBondContact O-N 3.11Å; N79-S81 PolarHBondContact ND2-OG 3.2Å; N79-S81 PolarHBondContact O-N 2.94Å; N79-S81 PolarHBondContact OD1-OG 3.1Å; N79-S81 VanDerWaalsContact OD1-OG 3.09Å |
| 80 | G | 85.2 | Confident | 77.6 | Confident | 67 Ų | 67 | 105.4 Ų | 105.4 | 69% | 0.691 | 53% | 0.532 | S | S | * | . | S | Bend | trans | 76.8 | -1.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | R77 K78 | R77-G80 PolarHBondContact O-N 3Å; K78-G80 VanDerWaalsContact C-N 3.34Å |
| 81 | S | 83.4 | Confident | 77.5 | Confident | 47 Ų | 47 | 106.6 Ų | 106.6 | 33% | 0.329 | 53% | 0.532 | S | S | . | . | trans | -82.7 | 137.4 | 173.1 | 64 | 0 | 0 | 0 | 0 | 111.1 | R77 N79 | R77-S81 WeakPolarHBondContact CB-O 3.49Å; R77-S81 PolarHBondContact N-O 3.31Å; N79-S81 PolarHBondContact ND2-OG 3.2Å; N79-S81 PolarHBondContact O-N 2.94Å; N79-S81 PolarHBondContact OD1-OG 3.1Å; N79-S81 VanDerWaalsContact OD1-OG 3.09Å | ||
| 82 | E | 84.8 | Confident | 77.6 | Confident | 120 Ų | 120 | 106 Ų | 106 | 56% | 0.561 | 53% | 0.525 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 138.8 | 169.7 | -67.7 | 176.9 | -176.9 | 0 | 0 | 110.6 | ||
| 83 | S | 77.8 | Confident | 77.2 | Confident | 6 Ų | 6 | 113.5 Ų | 113.5 | 4% | 0.042 | 56% | 0.558 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -129.3 | 135.2 | 170.6 | 63.2 | 0 | 0 | 0 | 0 | 111.3 | L75 R77 F85 | L75-S83 PolarHBondContact N-O 2.89Å; L75-S83 PolarHBondContact O-N 3.03Å; L75-S83 PolarHBondContact O-OG 3.13Å; R77-S83 PolarHBondContact NE-OG 3.16Å; S83-F85 PolarHBondContact O-N 3.29Å |
| 84 | W | 74.4 | Confident | 76.7 | Confident | 95 Ų | 95 | 112 Ų | 112 | 36% | 0.36 | 55% | 0.546 | S | S | . | . | S | Bend | trans | -90.9 | 31.7 | 179.8 | -53 | 83.9 | 0 | 0 | 0 | 110.6 | E68 E72 P74 | E68-W84 HydrophobicContact CB-CB 4.09Å; E68-W84 HydrophobicContact CG-CB 4.08Å; E72-W84 HydrophobicContact CB-CB 4.45Å; E72-W84 VanDerWaalsContact CB-O 3.24Å; E72-W84 WeakPolarHBondContact CB-O 3.24Å; E72-W84 WeakPolarHBondContact CG-O 3.31Å; P74-W84 HydrophobicContact CB-CD2 4.07Å; P74-W84 HydrophobicContact CB-CE3 4.01Å; P74-W84 HydrophobicContact CB-CH2 3.81Å; P74-W84 HydrophobicContact CB-CZ2 3.86Å; P74-W84 HydrophobicContact CB-CZ3 3.9Å; P74-W84 VanDerWaalsContact CD-CZ3 3.44Å; P74-W84 HydrophobicContact CG-CE3 4.22Å; P74-W84 HydrophobicContact CG-CH2 3.59Å; P74-W84 HydrophobicContact CG-CZ2 4.14Å; P74-W84 HydrophobicContact CG-CZ3 3.66Å |
| 85 | F | 71.9 | Confident | 75.9 | Confident | 59 Ų | 59 | 118.6 Ų | 118.6 | 26% | 0.259 | 57% | 0.572 | S | S | . | * | trans | -121.6 | 103.6 | -179.2 | -65.4 | -67.3 | 0 | 0 | 0 | 109.6 | R66 L67 E68 S83 | R66-F85 WeakPolarHBondContact O-CE1 3.41Å; L67-F85 VanDerWaalsContact C-CE1 3.4Å; E68-F85 HydrophobicContact CB-CE1 4.25Å; E68-F85 HydrophobicContact CB-CZ 4.23Å; E68-F85 HydrophobicContact CG-CD1 4.02Å; E68-F85 HydrophobicContact CG-CD2 3.83Å; E68-F85 HydrophobicContact CG-CE1 3.43Å; E68-F85 VanDerWaalsContact CG-CE1 3.43Å; E68-F85 HydrophobicContact CG-CE2 3.25Å; E68-F85 HydrophobicContact CG-CG 4.22Å; E68-F85 HydrophobicContact CG-CZ 3.06Å; E68-F85 WeakPolarHBondContact OE1-CD2 3.46Å; E68-F85 WeakPolarHBondContact OE1-CE2 3.04Å; S83-F85 PolarHBondContact O-N 3.29Å | ||
| 86 | G | 68.4 | Low | 75.5 | Confident | 27 Ų | 27 | 122.1 Ų | 122.1 | 28% | 0.278 | 58% | 0.584 | S | S | . | * | trans | -72.2 | 143.7 | 163.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | E72 R88 | E72-G86 WeakPolarHBondContact OE1-CA 3.39Å; E72-G86 PolarHBondContact OE1-N 2.99Å; G86-R88 PolarHBondContact O-N 3.11Å | ||
| 87 | P | 68.4 | Low | 74.9 | Confident | 129 Ų | 129 | 123.6 Ų | 123.6 | 84% | 0.838 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -66.6 | -17.7 | 177.2 | 26 | -33.9 | 0 | 0 | 0 | 113.1 | ||
| 88 | R | 71.4 | Confident | 74.2 | Confident | 198 Ų | 198 | 126.2 Ų | 126.2 | 75% | 0.747 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -99.6 | 126.6 | -175.3 | -168.7 | 177.3 | 179.6 | -176.9 | 0.1 | 111.8 | G86 V90 | G86-R88 PolarHBondContact O-N 3.11Å; R88-V90 HydrophobicContact CB-CG2 4.24Å; R88-V90 HydrophobicContact CG-CG2 3.89Å; R88-V90 PolarHBondContact O-N 3.06Å; R88-V90 VanDerWaalsContact O-N 3.1Å |
| 89 | R | 70.3 | Confident | 73.2 | Confident | 229 Ų | 229 | 120.9 Ų | 120.9 | 86% | 0.864 | 60% | 0.595 | S | S | * | * | trans | -72.8 | 100.1 | 168.2 | -63.4 | 176.7 | 69.9 | 170.8 | 2.7 | 109.3 | ||||
| 90 | V | 71.1 | Confident | 72.3 | Confident | 82 Ų | 82 | 117.8 Ų | 117.8 | 50% | 0.497 | 59% | 0.592 | S | S | . | * | trans | -103.2 | 139.1 | 175 | -174.3 | 0 | 0 | 0 | 0 | 109.9 | R88 R92 | R88-V90 HydrophobicContact CB-CG2 4.24Å; R88-V90 HydrophobicContact CG-CG2 3.89Å; R88-V90 PolarHBondContact O-N 3.06Å; R88-V90 VanDerWaalsContact O-N 3.1Å; V90-R92 PolarHBondContact O-N 3.49Å | ||
| 91 | K | 73 | Confident | 71.3 | Confident | 173 Ų | 173 | 123.8 Ų | 123.8 | 75% | 0.752 | 60% | 0.602 | S | S | * | * | trans | -68 | 118.7 | 169.6 | -76.3 | -174.7 | 179.1 | 178.4 | 0 | 108.1 | F93 | K91-F93 HydrophobicContact CB-CD2 4.12Å; K91-F93 HydrophobicContact CB-CE2 3.74Å; K91-F93 HydrophobicContact CD-CE2 3.89Å; K91-F93 HydrophobicContact CD-CZ 4.14Å; K91-F93 HydrophobicContact CG-CE2 4.46Å; K91-F93 PolarHBondContact O-N 3.29Å | ||
| 92 | R | 72.1 | Confident | 70.4 | Confident | 116 Ų | 116 | 125.7 Ų | 125.7 | 44% | 0.438 | 62% | 0.62 | S | S | . | * | trans | -89.9 | 88.9 | -177.8 | -53.1 | -180 | -170.4 | 140.1 | -17.9 | 108.1 | R66 T69 E72 V90 | R66-R92 VanDerWaalsContact CZ-CZ 3.49Å; T69-R92 VanDerWaalsContact OG1-CZ 3.24Å; T69-R92 PolarHBondContact OG1-NH1 3.26Å; T69-R92 PolarHBondContact OG1-NH2 3.41Å; E72-R92 IonicContact OE2-CZ 3.75Å; E72-R92 IonicContact OE2-NH2 3.95Å; E72-R92 PolarHBondContact OE2-NH2 3.1Å; V90-R92 PolarHBondContact O-N 3.49Å | ||
| 93 | F | 67.8 | Low | 69.6 | Low | 179 Ų | 179 | 131.2 Ų | 131.2 | 79% | 0.785 | 64% | 0.636 | S | S | * | * | trans | -85.1 | 120.2 | 166.7 | -67.7 | -78.3 | 0 | 0 | 0 | 107.2 | K91 E95 | K91-F93 HydrophobicContact CB-CD2 4.12Å; K91-F93 HydrophobicContact CB-CE2 3.74Å; K91-F93 HydrophobicContact CD-CE2 3.89Å; K91-F93 HydrophobicContact CD-CZ 4.14Å; K91-F93 HydrophobicContact CG-CE2 4.46Å; K91-F93 PolarHBondContact O-N 3.29Å; F93-E95 PolarHBondContact O-N 3.41Å | ||
| 94 | L | 68.8 | Low | 69.2 | Low | 89 Ų | 89 | 140 Ų | 140 | 47% | 0.466 | 67% | 0.673 | S | S | . | * | trans | -86.3 | 107 | 169 | -156.9 | 65.1 | 0 | 0 | 0 | 105.5 | F71 F96 | F71-L94 HydrophobicContact CD1-CD1 4.31Å; F71-L94 HydrophobicContact CE1-CD1 3.91Å; F71-L94 HydrophobicContact CZ-CD1 4.15Å; F71-L94 HydrophobicContact CZ-CD2 4.15Å; L94-F96 VanDerWaalsContact C-N 3.26Å; L94-F96 HydrophobicContact CB-CD2 4.24Å; L94-F96 HydrophobicContact CB-CE2 3.76Å; L94-F96 HydrophobicContact CB-CZ 4.03Å; L94-F96 HydrophobicContact CD2-CD1 4.28Å; L94-F96 HydrophobicContact CD2-CE1 3.42Å; L94-F96 VanDerWaalsContact CD2-CE1 3.42Å; L94-F96 HydrophobicContact CD2-CE2 3.87Å; L94-F96 HydrophobicContact CD2-CZ 3.19Å; L94-F96 HydrophobicContact CG-CE1 4.14Å; L94-F96 HydrophobicContact CG-CE2 4.12Å; L94-F96 HydrophobicContact CG-CZ 3.92Å; L94-F96 VanDerWaalsContact O-CD2 3.27Å; L94-F96 WeakPolarHBondContact O-CD2 3.35Å; L94-F96 PolarHBondContact O-N 3.37Å | ||
| 95 | E | 69.1 | Low | 68.9 | Low | 192 Ų | 192 | 141 Ų | 141 | 90% | 0.897 | 69% | 0.693 | S | S | * | * | trans | -72.4 | 91 | 172.9 | -170.7 | 170.3 | -168.8 | 0 | 0 | 106.9 | F93 L97 | F93-E95 PolarHBondContact O-N 3.41Å; E95-L97 PolarHBondContact O-N 3.06Å | ||
| 96 | F | 71.8 | Confident | 68.6 | Low | 159 Ų | 159 | 148 Ų | 148 | 70% | 0.697 | 72% | 0.722 | S | S | * | * | trans | -71.8 | 118.5 | 168.7 | -64.4 | -80.6 | 0 | 0 | 0 | 106.5 | L94 E98 | L94-F96 VanDerWaalsContact C-N 3.26Å; L94-F96 HydrophobicContact CB-CD2 4.24Å; L94-F96 HydrophobicContact CB-CE2 3.76Å; L94-F96 HydrophobicContact CB-CZ 4.03Å; L94-F96 HydrophobicContact CD2-CD1 4.28Å; L94-F96 HydrophobicContact CD2-CE1 3.42Å; L94-F96 VanDerWaalsContact CD2-CE1 3.42Å; L94-F96 HydrophobicContact CD2-CE2 3.87Å; L94-F96 HydrophobicContact CD2-CZ 3.19Å; L94-F96 HydrophobicContact CG-CE1 4.14Å; L94-F96 HydrophobicContact CG-CE2 4.12Å; L94-F96 HydrophobicContact CG-CZ 3.92Å; L94-F96 VanDerWaalsContact O-CD2 3.27Å; L94-F96 WeakPolarHBondContact O-CD2 3.35Å; L94-F96 PolarHBondContact O-N 3.37Å; F96-E98 PolarHBondContact O-N 3.49Å; F96-E98 VanDerWaalsContact O-N 3.16Å | ||
| 97 | L | 71.9 | Confident | 68.5 | Low | 150 Ų | 150 | 155.9 Ų | 155.9 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | trans | -51 | 126.1 | 164.2 | -169.6 | 69.4 | 0 | 0 | 0 | 106.8 | E95 V99 | E95-L97 PolarHBondContact O-N 3.06Å; L97-V99 HydrophobicContact CB-CG2 4.15Å; L97-V99 HydrophobicContact CD2-CG2 3.81Å; L97-V99 HydrophobicContact CG-CG2 3.81Å; L97-V99 PolarHBondContact O-N 3.06Å | ||
| 98 | E | 66.9 | Low | 67.8 | Low | 184 Ų | 184 | 155.4 Ų | 155.4 | 86% | 0.86 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -71.8 | 52.4 | -167.3 | -154.3 | 175.5 | -159.3 | 0 | 0 | 111.9 | F96 G100 | F96-E98 PolarHBondContact O-N 3.49Å; F96-E98 VanDerWaalsContact O-N 3.16Å; E98-G100 PolarHBondContact O-N 3Å |
| 99 | V | 63.1 | Low | 67 | Low | 117 Ų | 117 | 153.9 Ų | 153.9 | 71% | 0.709 | 75% | 0.752 | S | S | * | * | trans | -88.9 | 9.6 | 179.3 | -161.9 | 0 | 0 | 0 | 0 | 111.1 | L97 | L97-V99 HydrophobicContact CB-CG2 4.15Å; L97-V99 HydrophobicContact CD2-CG2 3.81Å; L97-V99 HydrophobicContact CG-CG2 3.81Å; L97-V99 PolarHBondContact O-N 3.06Å | ||
| 100 | G | 66 | Low | 65.9 | Low | 55 Ų | 55 | 149.5 Ų | 149.5 | 57% | 0.567 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -109.9 | 120.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | E98 A102 | E98-G100 PolarHBondContact O-N 3Å; G100-A102 PolarHBondContact O-N 3.31Å |
| 101 | E | 65.8 | Low | 64.8 | Low | 193 Ų | 193 | 148 Ų | 148 | 90% | 0.902 | 75% | 0.751 | S | S | * | * | trans | -44.6 | 135.3 | 170.4 | -78.5 | -165.1 | 149.1 | 0 | 0 | 111 | R103 | E101-R103 PolarHBondContact O-N 3.33Š| ||
| 102 | A | 64.8 | Low | 63.3 | Low | 87 Ų | 87 | 147 Ų | 147 | 72% | 0.719 | 76% | 0.759 | S | S | * | * | trans | -51 | 111.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | G100 K104 | G100-A102 PolarHBondContact O-N 3.31Å; A102-K104 PolarHBondContact O-N 3.33Å; A102-K104 VanDerWaalsContact O-N 3.09Å | ||
| 103 | R | 67.9 | Low | 61.9 | Low | 237 Ų | 237 | 144.6 Ų | 144.6 | 89% | 0.894 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 120.4 | 177.1 | -68.6 | -178.7 | -179.3 | 160.1 | 2.3 | 108.1 | E101 | E101-R103 PolarHBondContact O-N 3.33Š|
| 104 | K | 69.3 | Low | 60.7 | Low | 189 Ų | 189 | 145.5 Ų | 145.5 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 130 | 176.3 | -61.1 | -63.9 | -178.9 | -174.7 | 0 | 109 | A102 K106 | A102-K104 PolarHBondContact O-N 3.33Å; A102-K104 VanDerWaalsContact O-N 3.09Å; K104-K106 PolarHBondContact O-N 3.19Å; K104-K106 VanDerWaalsContact O-N 3.16Å |
| 105 | P | 68.4 | Low | 59.6 | Low | 118 Ų | 118 | 148 Ų | 148 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 123.6 | 179 | 23.4 | -32.3 | 0 | 0 | 0 | 108.9 | K107 | P105-K107 PolarHBondContact O-N 3.24Å; P105-K107 VanDerWaalsContact O-N 3.14Å |
| 106 | K | 64.9 | Low | 58.2 | Low | 204 Ų | 204 | 142 Ų | 142 | 89% | 0.887 | 78% | 0.783 | S | S | * | * | trans | -66.5 | 114 | 169.2 | -72.3 | -166.7 | 175.9 | -176.7 | 0 | 107.1 | K104 | K104-K106 PolarHBondContact O-N 3.19Å; K104-K106 VanDerWaalsContact O-N 3.16Å | ||
| 107 | K | 66.6 | Low | 56.9 | Low | 193 Ų | 193 | 140.9 Ų | 140.9 | 84% | 0.839 | 79% | 0.792 | S | S | * | * | trans | -51.4 | 133.6 | 169.3 | -63.3 | 179.1 | -179.9 | -179.2 | 0 | 108.2 | P105 L109 | P105-K107 PolarHBondContact O-N 3.24Å; P105-K107 VanDerWaalsContact O-N 3.14Å; K107-L109 PolarHBondContact O-N 2.95Å | ||
| 108 | P | 53.3 | Low | 55.7 | Low | 119 Ų | 119 | 138.8 Ų | 138.8 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | trans | -63.3 | 111.8 | 174.9 | 25 | -31.1 | 0 | 0 | 0 | 108.4 | V110 | P108-V110 PolarHBondContact O-N 3.16Š| ||
| 109 | L | 55.1 | Low | 55 | Low | 167 Ų | 167 | 135.8 Ų | 135.8 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | trans | -76.8 | 81.4 | 173.6 | -166.6 | 76.1 | 0 | 0 | 0 | 108 | K107 G111 | K107-L109 PolarHBondContact O-N 2.95Å; L109-G111 PolarHBondContact O-N 2.96Å | ||
| 110 | V | 45.8 | Very low | 54.3 | Low | 137 Ų | 137 | 135 Ų | 135 | 83% | 0.83 | 79% | 0.79 | S | S | * | * | trans | -71.3 | 115.1 | 160.7 | 170.2 | 0 | 0 | 0 | 0 | 107 | P108 | P108-V110 PolarHBondContact O-N 3.16Š| ||
| 111 | G | 49.6 | Very low | 53.5 | Low | 50 Ų | 50 | 143 Ų | 143 | 52% | 0.515 | 80% | 0.802 | S | S | . | * | trans | 104.7 | 121.7 | 152.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | L109 | L109-G111 PolarHBondContact O-N 2.96Š| ||
| 112 | V | 40.4 | Very low | 52.5 | Low | 151 Ų | 151 | 139.7 Ų | 139.7 | 92% | 0.915 | 80% | 0.798 | S | S | * | * | trans | 83.8 | 98.4 | 142.1 | -163 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 113 | G | 42 | Very low | 52 | Low | 67 Ų | 67 | 147.1 Ų | 147.1 | 69% | 0.691 | 81% | 0.807 | S | S | * | * | 89 | 111 | 119.6 | 0 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 114 | K | 42.6 | Very low | 51.2 | Low | 197 Ų | 197 | 147.6 Ų | 147.6 | 86% | 0.857 | 81% | 0.809 | S | S | * | * | trans | 84.9 | 115.3 | 137.8 | -63 | -177.3 | 177.5 | 178 | 0 | 121.3 | ||||
| 115 | T | 45.5 | Very low | 50.1 | Low | 141 Ų | 141 | 142.3 Ų | 142.3 | 87% | 0.865 | 81% | 0.808 | S | S | * | * | trans | 57.2 | 110.6 | 130.4 | 61.1 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 116 | G | 41.1 | Very low | 49.2 | Very low | 66 Ų | 66 | 140.3 Ų | 140.3 | 68% | 0.68 | 81% | 0.809 | S | S | * | * | trans | 172.1 | 134.9 | 154.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | S118 | G116-S118 PolarHBondContact O-N 2.78Š| ||
| 117 | P | 44.5 | Very low | 48.5 | Very low | 136 Ų | 136 | 139.6 Ų | 139.6 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | trans | -73.4 | 111.4 | -177.3 | 29.4 | -32.2 | 0 | 0 | 0 | 110.5 | S119 | P117-S119 PolarHBondContact O-N 2.98Š| ||
| 118 | S | 47.2 | Very low | 47.6 | Very low | 107 Ų | 107 | 134.7 Ų | 134.7 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | trans | -74.7 | 92.4 | 173 | -170.3 | 0 | 0 | 0 | 0 | 109.7 | G116 S120 | G116-S118 PolarHBondContact O-N 2.78Å; S118-S120 VanDerWaalsContact C-N 3.29Å; S118-S120 PolarHBondContact O-N 3.12Å | ||
| 119 | S | 51.6 | Low | 47.7 | Very low | 121 Ų | 121 | 138.5 Ų | 138.5 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | trans | -68.3 | 89.8 | 163.5 | -176.4 | 0 | 0 | 0 | 0 | 108.5 | P117 R121 | P117-S119 PolarHBondContact O-N 2.98Å; S119-R121 PolarHBondContact O-N 3.2Å | ||
| 120 | S | 49 | Very low | 47.7 | Very low | 101 Ų | 101 | 137.7 Ų | 137.7 | 71% | 0.706 | 80% | 0.795 | S | S | * | * | trans | -94.4 | 91.3 | 172.7 | 49.7 | 0 | 0 | 0 | 0 | 109.3 | S118 | S118-S120 VanDerWaalsContact C-N 3.29Å; S118-S120 PolarHBondContact O-N 3.12Å | ||
| 121 | R | 47.7 | Very low | 48.2 | Very low | 222 Ų | 222 | 138.5 Ų | 138.5 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | trans | -59.1 | 129.6 | 164.8 | -154.8 | 178.8 | -161.1 | -161 | 4.8 | 107.8 | S119 R123 | S119-R121 PolarHBondContact O-N 3.2Å; R121-R123 PolarHBondContact O-N 3.24Å | ||
| 122 | P | 46 | Very low | 48.7 | Very low | 124 Ų | 124 | 140.8 Ų | 140.8 | 81% | 0.805 | 80% | 0.796 | S | S | * | * | trans | -67.4 | 109.3 | 174.5 | 26.7 | -30.6 | 0 | 0 | 0 | 107.7 | R124 | P122-R124 PolarHBondContact O-N 3Š| ||
| 123 | R | 52.5 | Low | 49.7 | Very low | 243 Ų | 243 | 139.2 Ų | 139.2 | 92% | 0.917 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 123.1 | 166.7 | -73.8 | -176.6 | 169 | -136.3 | -1 | 106.7 | R121 G125 | R121-R123 PolarHBondContact O-N 3.24Å; R123-G125 PolarHBondContact O-N 2.94Å |
| 124 | R | 52.3 | Low | 50.6 | Low | 246 Ų | 246 | 141.2 Ų | 141.2 | 93% | 0.928 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -47.4 | 128.1 | 165.2 | -89 | -177 | 168.5 | -147.9 | -2 | 107.9 | P122 G126 | P122-R124 PolarHBondContact O-N 3Å; R124-G126 PolarHBondContact O-N 3.4Å |
| 125 | G | 45.4 | Very low | 52.3 | Low | 78 Ų | 78 | 134.3 Ų | 134.3 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 120.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | R123 | R123-G125 PolarHBondContact O-N 2.94Š|
| 126 | G | 49.4 | Very low | 53.8 | Low | 77 Ų | 77 | 133 Ų | 133 | 79% | 0.794 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 122.2 | 164.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | R124 | R124-G126 PolarHBondContact O-N 3.4Š|
| 127 | F | 50 | Low | 55.8 | Low | 188 Ų | 188 | 137 Ų | 137 | 83% | 0.825 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 139.6 | 168.6 | -139.5 | -101.1 | 0 | 0 | 0 | 108.4 | ||
| 128 | P | 47.9 | Very low | 57.8 | Low | 91 Ų | 91 | 134 Ų | 134 | 59% | 0.591 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 139.3 | 172.8 | 25.1 | -32 | 0 | 0 | 0 | 109.8 | D130 | P128-D130 VanDerWaalsContact C-N 3.31Å; P128-D130 PolarHBondContact O-N 3.03Å |
| 129 | K | 57.1 | Low | 59.9 | Low | 198 Ų | 198 | 132.5 Ų | 132.5 | 86% | 0.861 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -90.2 | 11.5 | -164.2 | -116.8 | -159.6 | -179.5 | -165.6 | 0 | 114 | ||
| 130 | D | 53.5 | Low | 61.8 | Low | 150 Ų | 150 | 130.9 Ų | 130.9 | 80% | 0.802 | 70% | 0.7 | S | S | * | * | trans | -103.7 | -2.2 | -162.8 | -55.8 | -37 | 0 | 0 | 0 | 114 | P128 | P128-D130 VanDerWaalsContact C-N 3.31Å; P128-D130 PolarHBondContact O-N 3.03Å | ||
| 131 | E | 56.9 | Low | 63.9 | Low | 154 Ų | 154 | 129.2 Ų | 129.2 | 72% | 0.72 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -97.4 | 138.1 | 163.9 | -78.2 | -66.8 | 147.3 | 0 | 0 | 108.7 | S133 | E131-S133 PolarHBondContact O-N 2.95Š|
| 132 | P | 59.8 | Low | 66.2 | Low | 99 Ų | 99 | 123.2 Ų | 123.2 | 64% | 0.643 | 67% | 0.672 | S | S | * | * | trans | -51.7 | 117.9 | 173.3 | 23.5 | -32.3 | 0 | 0 | 0 | 106.9 | L134 | P132-L134 VanDerWaalsContact C-N 3.28Å; P132-L134 PolarHBondContact O-N 3.2Å | ||
| 133 | S | 60.7 | Low | 68.5 | Low | 118 Ų | 118 | 121.9 Ų | 121.9 | 83% | 0.825 | 66% | 0.658 | S | S | * | * | trans | -59.3 | 98.1 | -176.7 | 56.1 | 0 | 0 | 0 | 0 | 107.7 | E131 S135 | E131-S133 PolarHBondContact O-N 2.95Å; S133-S135 PolarHBondContact O-N 2.99Å; S133-S135 VanDerWaalsContact O-N 3.13Å | ||
| 134 | L | 62.3 | Low | 70.6 | Confident | 108 Ų | 108 | 113.9 Ų | 113.9 | 57% | 0.565 | 64% | 0.638 | S | S | * | * | trans | -54.3 | 122.9 | 173.7 | -65.8 | 178 | 0 | 0 | 0 | 105.5 | P132 D138 V139 | P132-L134 VanDerWaalsContact C-N 3.28Å; P132-L134 PolarHBondContact O-N 3.2Å; L134-D138 HydrophobicContact CB-CB 4.08Å; L134-D138 HydrophobicContact CD2-CB 4.38Å; L134-V139 HydrophobicContact CB-CG2 4.09Å | ||
| 135 | S | 78.4 | Confident | 72.7 | Confident | 53 Ų | 53 | 105.5 Ų | 105.5 | 37% | 0.371 | 62% | 0.617 | S | S | . | * | trans | -59.8 | 155.5 | 178.8 | 72.5 | 0 | 0 | 0 | 0 | 108.4 | S133 Q137 D138 V139 | S133-S135 PolarHBondContact O-N 2.99Å; S133-S135 VanDerWaalsContact O-N 3.13Å; S135-Q137 PolarHBondContact O-N 3.01Å; S135-Q137 WeakPolarHBondContact OG-CB 3.44Å; S135-D138 VanDerWaalsContact CB-OD2 3.3Å; S135-D138 WeakPolarHBondContact CB-OD2 3.48Å; S135-D138 PolarHBondContact N-OD2 2.73Å; S135-D138 WeakPolarHBondContact O-CA 3.4Å; S135-D138 WeakPolarHBondContact O-CB 3.27Å; S135-D138 PolarHBondContact O-N 3.09Å; S135-D138 PolarHBondContact OG-N 3.02Å; S135-D138 PolarHBondContact OG-OD1 3.2Å; S135-D138 PolarHBondContact OG-OD2 3.11Å; S135-V139 PolarHBondContact O-N 2.99Å | ||
| 136 | V | 76.6 | Confident | 75.1 | Confident | 113 Ų | 113 | 106.8 Ų | 106.8 | 69% | 0.685 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -52.9 | -34.1 | 177.1 | 179.3 | 0 | 0 | 0 | 0 | 110.7 | V139 D140 | V136-V139 PolarHBondContact O-N 2.99Å; V136-D140 PolarHBondContact O-N 3.39Å |
| 137 | Q | 82.1 | Confident | 77.4 | Confident | 150 Ų | 150 | 107.3 Ų | 107.3 | 70% | 0.701 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -62.2 | -42.2 | 173.9 | -162.3 | 91 | 30.2 | 0 | 0 | 113 | S135 V139 D140 S141 | S135-Q137 PolarHBondContact O-N 3.01Å; S135-Q137 WeakPolarHBondContact OG-CB 3.44Å; Q137-V139 VanDerWaalsContact C-N 3.34Å; Q137-D140 PolarHBondContact O-N 2.96Å; Q137-S141 WeakPolarHBondContact O-CB 3.22Å; Q137-S141 PolarHBondContact O-N 3.14Å; Q137-S141 PolarHBondContact O-OG 3.33Å |
| 138 | D | 88.2 | Confident | 79.6 | Confident | 73 Ų | 73 | 103 Ų | 103 | 39% | 0.39 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -68.3 | -36.5 | 178.5 | -56.7 | -38.2 | 0 | 0 | 0 | 111 | L134 S135 S141 L142 | L134-D138 HydrophobicContact CB-CB 4.08Å; L134-D138 HydrophobicContact CD2-CB 4.38Å; S135-D138 VanDerWaalsContact CB-OD2 3.3Å; S135-D138 WeakPolarHBondContact CB-OD2 3.48Å; S135-D138 PolarHBondContact N-OD2 2.73Å; S135-D138 WeakPolarHBondContact O-CA 3.4Å; S135-D138 WeakPolarHBondContact O-CB 3.27Å; S135-D138 PolarHBondContact O-N 3.09Å; S135-D138 PolarHBondContact OG-N 3.02Å; S135-D138 PolarHBondContact OG-OD1 3.2Å; S135-D138 PolarHBondContact OG-OD2 3.11Å; D138-S141 WeakPolarHBondContact CA-OG 3.31Å; D138-S141 PolarHBondContact O-OG 3.41Å; D138-L142 VanDerWaalsContact O-CB 3.29Å; D138-L142 WeakPolarHBondContact O-CB 3.36Å; D138-L142 PolarHBondContact O-N 3.16Å |
| 139 | V | 89.9 | Confident | 82 | Confident | 75 Ų | 75 | 103.8 Ų | 103.8 | 46% | 0.455 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65.6 | -45.6 | 174.3 | 177.8 | 0 | 0 | 0 | 0 | 111 | L134 S135 V136 Q137 L142 L143 | L134-V139 HydrophobicContact CB-CG2 4.09Å; S135-V139 PolarHBondContact O-N 2.99Å; V136-V139 PolarHBondContact O-N 2.99Å; Q137-V139 VanDerWaalsContact C-N 3.34Å; V139-L142 PolarHBondContact O-N 3.32Å; V139-L143 WeakPolarHBondContact O-CB 3.45Å; V139-L143 PolarHBondContact O-N 2.98Å |
| 140 | D | 92.3 | Very high | 83.8 | Confident | 87 Ų | 87 | 99.3 Ų | 99.3 | 47% | 0.465 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.6 | -41.5 | 179.9 | -73.6 | -18.9 | 0 | 0 | 0 | 111.5 | V136 Q137 L143 C144 | V136-D140 PolarHBondContact O-N 3.39Å; Q137-D140 PolarHBondContact O-N 2.96Å; D140-L143 PolarHBondContact O-N 3.34Å; D140-C144 PolarHBondContact O-N 3.06Å; D140-C144 PolarHBondContact O-SG 3.16Å |
| 141 | S | 93.8 | Very high | 85.7 | Confident | 67 Ų | 67 | 96.5 Ų | 96.5 | 47% | 0.469 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.8 | -40.4 | 176.1 | 57.9 | 0 | 0 | 0 | 0 | 112.9 | Q137 D138 L143 C144 S145 | Q137-S141 WeakPolarHBondContact O-CB 3.22Å; Q137-S141 PolarHBondContact O-N 3.14Å; Q137-S141 PolarHBondContact O-OG 3.33Å; D138-S141 WeakPolarHBondContact CA-OG 3.31Å; D138-S141 PolarHBondContact O-OG 3.41Å; S141-L143 VanDerWaalsContact C-N 3.32Å; S141-L143 PolarHBondContact O-N 3.49Å; S141-C144 PolarHBondContact O-N 3.34Å; S141-S145 WeakPolarHBondContact O-CB 3.4Å; S141-S145 PolarHBondContact O-N 3.4Å |
| 142 | L | 94.8 | Very high | 87.5 | Confident | 95 Ų | 95 | 95 Ų | 95 | 50% | 0.497 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.2 | -41.3 | 173.9 | -179.4 | 62.5 | 0 | 0 | 0 | 111.5 | D138 V139 S145 K146 | D138-L142 VanDerWaalsContact O-CB 3.29Å; D138-L142 WeakPolarHBondContact O-CB 3.36Å; D138-L142 PolarHBondContact O-N 3.16Å; V139-L142 PolarHBondContact O-N 3.32Å; L142-S145 PolarHBondContact O-N 3.28Å; L142-K146 HydrophobicContact CD1-CG 4.5Å; L142-K146 WeakPolarHBondContact O-CG 3.34Å; L142-K146 PolarHBondContact O-N 2.98Å |
| 143 | L | 94.9 | Very high | 89.2 | Confident | 97 Ų | 97 | 98.1 Ų | 98.1 | 51% | 0.508 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.6 | -47.8 | 176.7 | 178.6 | 61.5 | 0 | 0 | 0 | 111.5 | V139 D140 S141 S145 K146 L147 | V139-L143 WeakPolarHBondContact O-CB 3.45Å; V139-L143 PolarHBondContact O-N 2.98Å; D140-L143 PolarHBondContact O-N 3.34Å; S141-L143 VanDerWaalsContact C-N 3.32Å; S141-L143 PolarHBondContact O-N 3.49Å; L143-S145 PolarHBondContact O-N 3.2Å; L143-K146 PolarHBondContact O-N 3.2Å; L143-L147 HydrophobicContact CD1-CD1 4.24Å; L143-L147 HydrophobicContact CD1-CG 4.27Å; L143-L147 HydrophobicContact CG-CD1 4.11Å; L143-L147 WeakPolarHBondContact O-CG 3.38Å; L143-L147 PolarHBondContact O-N 3.39Å |
| 144 | C | 95.4 | Very high | 90.6 | Very high | 74 Ų | 74 | 96.8 Ų | 96.8 | 50% | 0.5 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58.8 | -47.3 | 177.1 | -69.6 | 0 | 0 | 0 | 0 | 111.7 | D140 S141 K146 L147 D148 | D140-C144 PolarHBondContact O-N 3.06Å; D140-C144 PolarHBondContact O-SG 3.16Å; S141-C144 PolarHBondContact O-N 3.34Å; C144-K146 VanDerWaalsContact C-N 3.31Å; C144-K146 PolarHBondContact O-N 2.99Å; C144-L147 PolarHBondContact O-N 3.17Å; C144-L147 VanDerWaalsContact O-N 3.17Å; C144-D148 PolarHBondContact O-N 2.94Å |
| 145 | S | 96.4 | Very high | 92 | Very high | 70 Ų | 70 | 96.7 Ų | 96.7 | 49% | 0.49 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -56.3 | -44.4 | 176.8 | 175.2 | 0 | 0 | 0 | 0 | 112.2 | S141 L142 L143 D148 E149 | S141-S145 WeakPolarHBondContact O-CB 3.4Å; S141-S145 PolarHBondContact O-N 3.4Å; L142-S145 PolarHBondContact O-N 3.28Å; L143-S145 PolarHBondContact O-N 3.2Å; S145-D148 PolarHBondContact O-N 3.38Å; S145-E149 PolarHBondContact O-N 3.39Å; S145-E149 VanDerWaalsContact O-N 3.08Å |
| 146 | K | 97.4 | Very high | 92.3 | Very high | 105 Ų | 105 | 98.9 Ų | 98.9 | 46% | 0.457 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68.5 | -35.3 | 178 | -73 | -72.3 | 163.2 | -157.6 | 0 | 113.3 | L142 L143 C144 E149 L150 | L142-K146 HydrophobicContact CD1-CG 4.5Å; L142-K146 WeakPolarHBondContact O-CG 3.34Å; L142-K146 PolarHBondContact O-N 2.98Å; L143-K146 PolarHBondContact O-N 3.2Å; C144-K146 VanDerWaalsContact C-N 3.31Å; C144-K146 PolarHBondContact O-N 2.99Å; K146-E149 IonicContact NZ-OE1 2.72Å; K146-E149 IonicContact NZ-OE2 2.64Å; K146-E149 PolarHBondContact NZ-OE2 2.99Å; K146-L150 WeakPolarHBondContact O-CG 3.45Å; K146-L150 PolarHBondContact O-N 2.71Å |
| 147 | L | 97.3 | Very high | 92.4 | Very high | 89 Ų | 89 | 96.2 Ų | 96.2 | 47% | 0.466 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.2 | -37.6 | 175.5 | -71 | 173 | 0 | 0 | 0 | 111.9 | L143 C144 L150 N151 | L143-L147 HydrophobicContact CD1-CD1 4.24Å; L143-L147 HydrophobicContact CD1-CG 4.27Å; L143-L147 HydrophobicContact CG-CD1 4.11Å; L143-L147 WeakPolarHBondContact O-CG 3.38Å; L143-L147 PolarHBondContact O-N 3.39Å; C144-L147 PolarHBondContact O-N 3.17Å; C144-L147 VanDerWaalsContact O-N 3.17Å; L147-L150 PolarHBondContact O-N 3.47Å; L147-N151 PolarHBondContact O-N 3.19Å; L147-N151 PolarHBondContact O-ND2 2.95Å |
| 148 | D | 96.6 | Very high | 92 | Very high | 98 Ų | 98 | 92.8 Ų | 92.8 | 52% | 0.524 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67 | -41.3 | 175.9 | -74.8 | -19 | 0 | 0 | 0 | 111.9 | C144 S145 L150 N151 L152 | C144-D148 PolarHBondContact O-N 2.94Å; S145-D148 PolarHBondContact O-N 3.38Å; D148-L150 VanDerWaalsContact C-N 3.3Å; D148-L150 PolarHBondContact O-N 2.72Å; D148-N151 PolarHBondContact O-N 3.09Å; D148-L152 WeakPolarHBondContact O-CG 3.43Å; D148-L152 PolarHBondContact O-N 3.08Å |
| 149 | E | 96.6 | Very high | 90.9 | Very high | 107 Ų | 107 | 91.8 Ų | 91.8 | 50% | 0.5 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -55.9 | -44.7 | 173.3 | -171.5 | -178.4 | 170 | 0 | 0 | 111.5 | S145 K146 L152 W153 | S145-E149 PolarHBondContact O-N 3.39Å; S145-E149 VanDerWaalsContact O-N 3.08Å; K146-E149 IonicContact NZ-OE1 2.72Å; K146-E149 IonicContact NZ-OE2 2.64Å; K146-E149 PolarHBondContact NZ-OE2 2.99Å; E149-L152 PolarHBondContact O-N 3.34Å; E149-W153 PolarHBondContact O-N 3.4Å |
| 150 | L | 95.9 | Very high | 89.4 | Confident | 104 Ų | 104 | 93.8 Ų | 93.8 | 55% | 0.545 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67.9 | -38 | 177.3 | -68.4 | 176.3 | 0 | 0 | 0 | 112.9 | K146 L147 D148 L152 W153 L154 | K146-L150 WeakPolarHBondContact O-CG 3.45Å; K146-L150 PolarHBondContact O-N 2.71Å; L147-L150 PolarHBondContact O-N 3.47Å; D148-L150 VanDerWaalsContact C-N 3.3Å; D148-L150 PolarHBondContact O-N 2.72Å; L150-L152 VanDerWaalsContact C-N 3.33Å; L150-W153 PolarHBondContact O-N 3.03Å; L150-L154 WeakPolarHBondContact O-CB 3.47Å; L150-L154 PolarHBondContact O-N 3.49Å |
| 151 | N | 93.3 | Very high | 87.7 | Confident | 91 Ų | 91 | 96.4 Ų | 96.4 | 49% | 0.487 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.3 | -42.6 | 175.2 | -78.3 | -29.9 | 0 | 0 | 0 | 111.4 | L147 D148 L154 I155 | L147-N151 PolarHBondContact O-N 3.19Å; L147-N151 PolarHBondContact O-ND2 2.95Å; D148-N151 PolarHBondContact O-N 3.09Å; N151-L154 PolarHBondContact O-N 3.33Å; N151-I155 WeakPolarHBondContact O-CD1 3.29Å; N151-I155 VanDerWaalsContact O-CG1 3.22Å; N151-I155 WeakPolarHBondContact O-CG1 3.46Å; N151-I155 PolarHBondContact O-N 2.97Å |
| 152 | L | 95.4 | Very high | 85.9 | Confident | 123 Ų | 123 | 100.4 Ų | 100.4 | 64% | 0.644 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.6 | -43.1 | 176 | -69.8 | 171.8 | 0 | 0 | 0 | 111.7 | D148 E149 L150 I155 H156 | D148-L152 WeakPolarHBondContact O-CG 3.43Å; D148-L152 PolarHBondContact O-N 3.08Å; E149-L152 PolarHBondContact O-N 3.34Å; L150-L152 VanDerWaalsContact C-N 3.33Å; L152-I155 PolarHBondContact O-N 3.47Å; L152-H156 PolarHBondContact O-N 3.41Å |
| 153 | W | 93.9 | Very high | 83.9 | Confident | 163 Ų | 163 | 103.6 Ų | 103.6 | 62% | 0.617 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.9 | -45.2 | 176.7 | -169.7 | 62.4 | 0 | 0 | 0 | 111.7 | E149 L150 I155 H156 D157 | E149-W153 PolarHBondContact O-N 3.4Å; L150-W153 PolarHBondContact O-N 3.03Å; W153-I155 VanDerWaalsContact C-N 3.34Å; W153-I155 PolarHBondContact O-N 3.35Å; W153-H156 WeakPolarHBondContact O-CB 3.45Å; W153-H156 PolarHBondContact O-N 3.27Å; W153-D157 PolarHBondContact O-N 3.48Å |
| 154 | L | 91.7 | Very high | 81.9 | Confident | 90 Ų | 90 | 104 Ų | 104 | 47% | 0.471 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.3 | -35.9 | 178 | -169.9 | 70.3 | 0 | 0 | 0 | 113 | L150 N151 Q158 | L150-L154 WeakPolarHBondContact O-CB 3.47Å; L150-L154 PolarHBondContact O-N 3.49Å; N151-L154 PolarHBondContact O-N 3.33Å; L154-Q158 WeakPolarHBondContact O-CG 3.35Å; L154-Q158 PolarHBondContact O-N 3Å |
| 155 | I | 92 | Very high | 79.8 | Confident | 106 Ų | 106 | 106.9 Ų | 106.9 | 54% | 0.544 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.1 | -42.2 | 175.3 | -70.2 | 163.9 | 0 | 0 | 0 | 110.1 | N151 L152 W153 Q158 S159 | N151-I155 WeakPolarHBondContact O-CD1 3.29Å; N151-I155 VanDerWaalsContact O-CG1 3.22Å; N151-I155 WeakPolarHBondContact O-CG1 3.46Å; N151-I155 PolarHBondContact O-N 2.97Å; L152-I155 PolarHBondContact O-N 3.47Å; W153-I155 VanDerWaalsContact C-N 3.34Å; W153-I155 PolarHBondContact O-N 3.35Å; I155-Q158 PolarHBondContact O-N 3.4Å; I155-S159 PolarHBondContact O-N 3.42Å; I155-S159 PolarHBondContact O-OG 3.05Å; I155-S159 VanDerWaalsContact O-OG 3.11Å |
| 156 | H | 83.6 | Confident | 77.6 | Confident | 100 Ų | 100 | 109.8 Ų | 109.8 | 46% | 0.463 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.3 | -48.2 | 178.2 | -171.3 | -90.3 | 0 | 0 | 0 | 111.7 | L152 W153 Q158 S159 E160 | L152-H156 PolarHBondContact O-N 3.41Å; W153-H156 WeakPolarHBondContact O-CB 3.45Å; W153-H156 PolarHBondContact O-N 3.27Å; H156-Q158 VanDerWaalsContact C-N 3.29Å; H156-Q158 PolarHBondContact O-N 2.98Å; H156-S159 VanDerWaalsContact CA-OG 3.31Å; H156-S159 WeakPolarHBondContact CA-OG 3.5Å; H156-S159 PolarHBondContact O-N 3Å; H156-S159 PolarHBondContact O-OG 2.94Å; H156-E160 IonicContact CE1-OE1 3.82Å; H156-E160 PolarHBondContact CE1-OE1 2.86Å; H156-E160 IonicContact ND1-OE1 3.92Å; H156-E160 IonicContact NE2-OE1 3.09Å; H156-E160 PolarHBondContact O-N 3.06Å |
| 157 | D | 78.5 | Confident | 75.5 | Confident | 56 Ų | 56 | 109 Ų | 109 | 30% | 0.299 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -58.6 | -40.5 | 177.1 | -71 | -3.4 | 0 | 0 | 0 | 111.7 | W153 S159 E161 | W153-D157 PolarHBondContact O-N 3.48Å; D157-S159 PolarHBondContact O-N 3.36Å; D157-E161 PolarHBondContact O-N 3.04Å |
| 158 | Q | 73.9 | Confident | 73.3 | Confident | 78 Ų | 78 | 110.5 Ų | 110.5 | 36% | 0.364 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -72.6 | -24.1 | 176.5 | -72.6 | 179.5 | 37 | 0 | 0 | 114.3 | L154 I155 H156 R162 | L154-Q158 WeakPolarHBondContact O-CG 3.35Å; L154-Q158 PolarHBondContact O-N 3Å; I155-Q158 PolarHBondContact O-N 3.4Å; H156-Q158 VanDerWaalsContact C-N 3.29Å; H156-Q158 PolarHBondContact O-N 2.98Å; Q158-R162 WeakPolarHBondContact O-CG 3.3Å; Q158-R162 PolarHBondContact O-NH1 3.31Å |
| 159 | S | 65.4 | Low | 71 | Confident | 53 Ų | 53 | 110.6 Ų | 110.6 | 37% | 0.371 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -77.3 | -37.3 | 174.4 | 40.3 | 0 | 0 | 0 | 0 | 111.9 | I155 H156 D157 E161 R162 E163 | I155-S159 PolarHBondContact O-N 3.42Å; I155-S159 PolarHBondContact O-OG 3.05Å; I155-S159 VanDerWaalsContact O-OG 3.11Å; H156-S159 VanDerWaalsContact CA-OG 3.31Å; H156-S159 WeakPolarHBondContact CA-OG 3.5Å; H156-S159 PolarHBondContact O-N 3Å; H156-S159 PolarHBondContact O-OG 2.94Å; D157-S159 PolarHBondContact O-N 3.36Å; S159-E161 VanDerWaalsContact C-N 3.29Å; S159-E161 PolarHBondContact O-N 2.95Å; S159-R162 PolarHBondContact O-N 3.41Å; S159-R162 VanDerWaalsContact O-N 3.1Å; S159-E163 PolarHBondContact O-N 2.94Å |
| 160 | E | 58.7 | Low | 68.8 | Low | 116 Ų | 116 | 113 Ų | 113 | 54% | 0.542 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -63.9 | -34.6 | 176.2 | -69.5 | -164.2 | 160.9 | 0 | 0 | 111.9 | H156 R162 | H156-E160 IonicContact CE1-OE1 3.82Å; H156-E160 PolarHBondContact CE1-OE1 2.86Å; H156-E160 IonicContact ND1-OE1 3.92Å; H156-E160 IonicContact NE2-OE1 3.09Å; H156-E160 PolarHBondContact O-N 3.06Å; E160-R162 VanDerWaalsContact C-N 3.31Å; E160-R162 PolarHBondContact O-N 2.97Å |
| 161 | E | 56.3 | Low | 66.7 | Low | 143 Ų | 143 | 112.5 Ų | 112.5 | 67% | 0.668 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -70.2 | -21.2 | 174.2 | -70.3 | -176.4 | 166.8 | 0 | 0 | 113.9 | D157 S159 T164 | D157-E161 PolarHBondContact O-N 3.04Å; S159-E161 VanDerWaalsContact C-N 3.29Å; S159-E161 PolarHBondContact O-N 2.95Å; E161-T164 PolarHBondContact O-OG1 2.7Å |
| 162 | R | 55.3 | Low | 64.7 | Low | 151 Ų | 151 | 112.7 Ų | 112.7 | 57% | 0.57 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -93.6 | -17.1 | -179.2 | -68.4 | -175.5 | -165.6 | 109.8 | 2.5 | 113.8 | Q158 S159 E160 N166 | Q158-R162 WeakPolarHBondContact O-CG 3.3Å; Q158-R162 PolarHBondContact O-NH1 3.31Å; S159-R162 PolarHBondContact O-N 3.41Å; S159-R162 VanDerWaalsContact O-N 3.1Å; E160-R162 VanDerWaalsContact C-N 3.31Å; E160-R162 PolarHBondContact O-N 2.97Å; R162-N166 PolarHBondContact O-ND2 2.65Å |
| 163 | E | 52.8 | Low | 62.2 | Low | 161 Ų | 161 | 114.8 Ų | 114.8 | 75% | 0.752 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -78 | -22.1 | 175.3 | -100.8 | -178.2 | 168.6 | 0 | 0 | 112.9 | S159 D165 | S159-E163 PolarHBondContact O-N 2.94Å; E163-D165 VanDerWaalsContact C-N 3.32Å; E163-D165 PolarHBondContact O-N 3.13Å |
| 164 | T | 54.4 | Low | 60 | Low | 106 Ų | 106 | 115.8 Ų | 115.8 | 65% | 0.65 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -14.5 | 178.3 | 57.5 | 0 | 0 | 0 | 0 | 114.5 | E161 | E161-T164 PolarHBondContact O-OG1 2.7Š|
| 165 | D | 50.1 | Low | 58 | Low | 135 Ų | 135 | 121.1 Ų | 121.1 | 72% | 0.722 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | -5.9 | -176.9 | -72.9 | -3.2 | 0 | 0 | 0 | 113.9 | E163 | E163-D165 VanDerWaalsContact C-N 3.32Å; E163-D165 PolarHBondContact O-N 3.13Å |
| 166 | N | 50.5 | Low | 56.3 | Low | 130 Ų | 130 | 121.9 Ų | 121.9 | 70% | 0.695 | 68% | 0.681 | S | S | * | * | trans | -106.8 | 16.1 | -175.9 | -70.9 | -69.2 | 0 | 0 | 0 | 114.7 | R162 V168 | R162-N166 PolarHBondContact O-ND2 2.65Å; N166-V168 VanDerWaalsContact C-N 3.33Å; N166-V168 PolarHBondContact O-N 2.87Å; N166-V168 VanDerWaalsContact O-N 3.11Å | ||
| 167 | A | 52.4 | Low | 54.8 | Low | 90 Ų | 90 | 123.1 Ų | 123.1 | 74% | 0.744 | 69% | 0.692 | S | S | * | * | trans | -83.7 | 74.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 168 | V | 52.2 | Low | 53.5 | Low | 119 Ų | 119 | 126.8 Ų | 126.8 | 72% | 0.721 | 71% | 0.714 | S | S | * | * | trans | -76.8 | 122.5 | 164.7 | 179.7 | 0 | 0 | 0 | 0 | 108.1 | N166 V170 | N166-V168 VanDerWaalsContact C-N 3.33Å; N166-V168 PolarHBondContact O-N 2.87Å; N166-V168 VanDerWaalsContact O-N 3.11Å; V168-V170 PolarHBondContact O-N 3.41Å; V168-V170 VanDerWaalsContact O-N 3.16Å | ||
| 169 | P | 47.9 | Very low | 52.3 | Low | 101 Ų | 101 | 129.6 Ų | 129.6 | 66% | 0.656 | 73% | 0.734 | S | S | * | * | trans | -70.8 | 113.3 | 177.7 | 27.9 | -31.8 | 0 | 0 | 0 | 109.6 | S171 | P169-S171 PolarHBondContact O-N 3.25Š| ||
| 170 | V | 50.7 | Low | 51.5 | Low | 156 Ų | 156 | 134.4 Ų | 134.4 | 95% | 0.945 | 76% | 0.757 | S | S | * | * | trans | -72.9 | 80.5 | 165.3 | -176.1 | 0 | 0 | 0 | 0 | 107.6 | V168 | V168-V170 PolarHBondContact O-N 3.41Å; V168-V170 VanDerWaalsContact O-N 3.16Å | ||
| 171 | S | 52.1 | Low | 51 | Low | 95 Ų | 95 | 135.7 Ų | 135.7 | 66% | 0.664 | 77% | 0.772 | S | S | * | * | trans | -140.9 | 132 | 165.5 | 65.3 | 0 | 0 | 0 | 0 | 109.3 | P169 | P169-S171 PolarHBondContact O-N 3.25Š| ||
| 172 | A | 50.3 | Low | 50.6 | Low | 94 Ų | 94 | 135.1 Ų | 135.1 | 78% | 0.777 | 78% | 0.779 | S | S | * | * | trans | 82.9 | 91.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 173 | I | 44.4 | Very low | 50.3 | Low | 168 Ų | 168 | 133.9 Ų | 133.9 | 86% | 0.862 | 80% | 0.795 | S | S | * | * | -142.2 | 102.6 | 108.2 | -55.3 | -171.1 | 0 | 0 | 0 | 107.6 | |||||
| 174 | M | 46.9 | Very low | 50.1 | Low | 184 Ų | 184 | 131.7 Ų | 131.7 | 91% | 0.906 | 80% | 0.799 | S | S | * | * | trans | -110 | 106.6 | 161 | 179.2 | 160.4 | 78.9 | 0 | 0 | 105.9 | ||||
| 175 | T | 48.6 | Very low | 49.7 | Very low | 202 Ų | 202 | 134 Ų | 134 | 100% | 1.239 | 81% | 0.812 | S | S | * | * | trans | -179.2 | 0 | 152 | 23.9 | 0 | 0 | 0 | 0 | 108.6 |
Retrieved 175 of 175 residues in 117.6 ms
(Link to these results)