| 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 | 43.6 | Very low | 44.5 | Very low | 247 Ų | 247 | 156.2 Ų | 156.2 | 100% | 1.217 | 80% | 0.798 | S | S | * | * | 0 | 102.3 | 0 | -70.3 | -167.2 | -177.1 | 0 | 0 | 106.4 | |||||
| 2 | D | 45.7 | Very low | 45.1 | Very low | 161 Ų | 161 | 160.6 Ų | 160.6 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | trans | -77.1 | 130.5 | 173.5 | -61.4 | -61.9 | 0 | 0 | 0 | 109.6 | ||||
| 3 | I | 41.8 | Very low | 44.9 | Very low | 155 Ų | 155 | 156.5 Ų | 156.5 | 80% | 0.795 | 79% | 0.789 | S | S | * | * | trans | -149.6 | 109.5 | 136.7 | -49.4 | -179.1 | 0 | 0 | 0 | 108.8 | I5 | I3-I5 HydrophobicContact CG2-CD1 4.35Å; I3-I5 HydrophobicContact CG2-CG1 4.02Å | ||
| 4 | T | 45.7 | Very low | 44.8 | Very low | 135 Ų | 135 | 156 Ų | 156 | 83% | 0.828 | 79% | 0.789 | S | S | * | * | trans | -86 | 132.6 | 157.3 | 47.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 5 | I | 46.7 | Very low | 44.6 | Very low | 153 Ų | 153 | 155.3 Ų | 155.3 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | trans | -137.2 | 107.9 | 152.6 | -56.3 | 178.6 | 0 | 0 | 0 | 108.4 | I3 | I3-I5 HydrophobicContact CG2-CD1 4.35Å; I3-I5 HydrophobicContact CG2-CG1 4.02Å | ||
| 6 | H | 44.3 | Very low | 44.4 | Very low | 175 Ų | 175 | 150.6 Ų | 150.6 | 81% | 0.81 | 77% | 0.773 | S | S | * | * | trans | -86.6 | 140.4 | 155.2 | -122.1 | -77.9 | 0 | 0 | 0 | 107.6 | ||||
| 7 | N | 38.2 | Very low | 44.3 | Very low | 118 Ų | 118 | 151.2 Ų | 151.2 | 63% | 0.631 | 78% | 0.777 | S | S | * | * | trans | -143.3 | 113.3 | 150 | -162.8 | 32 | 0 | 0 | 0 | 111.4 | L9 | N7-L9 PolarHBondContact O-N 2.89Š| ||
| 8 | P | 49.3 | Very low | 44.3 | Very low | 108 Ų | 108 | 151.6 Ų | 151.6 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | trans | -93 | 64.5 | -178.9 | 37.3 | -32.2 | 0 | 0 | 0 | 110.8 | ||||
| 9 | L | 41.8 | Very low | 44.3 | Very low | 105 Ų | 105 | 146.5 Ų | 146.5 | 55% | 0.55 | 76% | 0.762 | S | S | . | * | trans | -139 | 66.1 | -177.9 | -73.2 | 172.3 | 0 | 0 | 0 | 112.2 | N7 R11 | N7-L9 PolarHBondContact O-N 2.89Å; L9-R11 HydrophobicContact CD2-CG 4.41Å; L9-R11 PolarHBondContact O-N 3.04Å | ||
| 10 | I | 48.9 | Very low | 44 | Very low | 175 Ų | 175 | 144.1 Ų | 144.1 | 90% | 0.897 | 76% | 0.756 | S | S | * | * | trans | -75.3 | 86.5 | 146.6 | -61.3 | 173 | 0 | 0 | 0 | 105.3 | R12 | I10-R12 PolarHBondContact O-N 2.88Å; I10-R12 VanDerWaalsContact O-N 3.17Å | ||
| 11 | R | 43.3 | Very low | 43.8 | Very low | 186 Ų | 186 | 143.2 Ų | 143.2 | 70% | 0.702 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 119.4 | 165.9 | -76.1 | -170.2 | 175.3 | -143 | 0.7 | 106.9 | L9 | L9-R11 HydrophobicContact CD2-CG 4.41Å; L9-R11 PolarHBondContact O-N 3.04Å |
| 12 | R | 51.6 | Low | 44 | Very low | 209 Ų | 209 | 139.6 Ų | 139.6 | 79% | 0.789 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -46.3 | 134.2 | 156.4 | -67.8 | -179.4 | 175.2 | -174.2 | -1.9 | 107.3 | I10 L14 | I10-R12 PolarHBondContact O-N 2.88Å; I10-R12 VanDerWaalsContact O-N 3.17Å; R12-L14 PolarHBondContact O-N 3.28Å |
| 13 | P | 42.4 | Very low | 44.1 | Very low | 107 Ų | 107 | 138.7 Ų | 138.7 | 70% | 0.695 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 131.5 | 176.1 | 23.5 | -31.3 | 0 | 0 | 0 | 108.1 | L15 S16 | P13-L15 PolarHBondContact O-N 3Å; P13-S16 PolarHBondContact O-N 3.22Å |
| 14 | L | 44.3 | Very low | 44.1 | Very low | 150 Ų | 150 | 140.9 Ų | 140.9 | 79% | 0.785 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.7 | 3.9 | -172.6 | -146.3 | 109.2 | 0 | 0 | 0 | 113.7 | R12 | R12-L14 PolarHBondContact O-N 3.28Š|
| 15 | L | 41.9 | Very low | 44 | Very low | 146 Ų | 146 | 140.2 Ų | 140.2 | 76% | 0.764 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.2 | 26.2 | 176.9 | -84 | 158 | 0 | 0 | 0 | 112.8 | P13 L17 | P13-L15 PolarHBondContact O-N 3Å; L15-L17 PolarHBondContact O-N 3.08Å |
| 16 | S | 40.4 | Very low | 44.2 | Very low | 80 Ų | 80 | 135.8 Ų | 135.8 | 56% | 0.559 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | 6.8 | 173.1 | -169.6 | 0 | 0 | 0 | 0 | 114.3 | P13 | P13-S16 PolarHBondContact O-N 3.22Š|
| 17 | L | 43.9 | Very low | 44.5 | Very low | 160 Ų | 160 | 130.2 Ų | 130.2 | 84% | 0.838 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | -7.6 | -172.2 | -88.4 | 151.9 | 0 | 0 | 0 | 114.9 | L15 | L15-L17 PolarHBondContact O-N 3.08Š|
| 18 | L | 43 | Very low | 44.8 | Very low | 159 Ų | 159 | 134.6 Ų | 134.6 | 83% | 0.832 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -127.6 | 3.7 | -176.1 | -79.9 | 154.6 | 0 | 0 | 0 | 114.3 | ||
| 19 | A | 45.4 | Very low | 44.8 | Very low | 54 Ų | 54 | 132.2 Ų | 132.2 | 45% | 0.446 | 69% | 0.688 | S | S | . | * | S | Bend | trans | -111.1 | 124.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 20 | P | 38.4 | Very low | 45.3 | Very low | 99 Ų | 99 | 130.7 Ų | 130.7 | 64% | 0.643 | 68% | 0.678 | S | S | * | * | trans | -59.1 | 154.6 | 168 | 26.8 | -32 | 0 | 0 | 0 | 108.7 | R22 | P20-R22 WeakPolarHBondContact O-CG 3.48Å; P20-R22 PolarHBondContact O-N 3.3Å | ||
| 21 | S | 39.3 | Very low | 45.5 | Very low | 125 Ų | 125 | 130.5 Ų | 130.5 | 87% | 0.874 | 67% | 0.673 | S | S | * | * | trans | -51.6 | 94 | 177.8 | 37.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 22 | R | 48.4 | Very low | 46 | Very low | 171 Ų | 171 | 126.6 Ų | 126.6 | 65% | 0.645 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 120.4 | 176.3 | -72.5 | -175.2 | -173.7 | -176.2 | 0.8 | 108.2 | P20 F24 | P20-R22 WeakPolarHBondContact O-CG 3.48Å; P20-R22 PolarHBondContact O-N 3.3Å; R22-F24 PolarHBondContact O-N 3.08Å |
| 23 | I | 47.6 | Very low | 45.9 | Very low | 142 Ų | 142 | 122.5 Ų | 122.5 | 73% | 0.728 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 116.5 | 165.8 | -66.9 | 167.5 | 0 | 0 | 0 | 106 | D25 | I23-D25 PolarHBondContact O-N 3.21Š|
| 24 | F | 41.7 | Very low | 46 | Very low | 201 Ų | 201 | 124.6 Ų | 124.6 | 88% | 0.882 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -59.9 | 130.8 | -179.5 | -106.7 | -104.1 | 0 | 0 | 0 | 109.7 | R22 | R22-F24 PolarHBondContact O-N 3.08Š|
| 25 | D | 42.5 | Very low | 46.2 | Very low | 121 Ų | 121 | 120.8 Ų | 120.8 | 65% | 0.647 | 64% | 0.642 | S | S | * | * | trans | 75.3 | 105.4 | 170.1 | -151.7 | 1.3 | 0 | 0 | 0 | 117.1 | I23 T27 | I23-D25 PolarHBondContact O-N 3.21Å; D25-T27 PolarHBondContact OD1-N 2.74Å; D25-T27 PolarHBondContact OD1-OG1 2.93Å | ||
| 26 | Q | 51.9 | Low | 46.5 | Very low | 60 Ų | 60 | 118.9 Ų | 118.9 | 28% | 0.28 | 63% | 0.629 | S | S | . | * | trans | -127.5 | 13.8 | 172.1 | -67.4 | -175.4 | 27.8 | 0 | 0 | 111.3 | L64 | Q26-L64 HydrophobicContact CB-CD2 4.21Å; Q26-L64 HydrophobicContact CG-CD2 4.36Å | ||
| 27 | T | 50.9 | Low | 47 | Very low | 59 Ų | 59 | 120 Ų | 120 | 36% | 0.362 | 63% | 0.628 | S | S | . | * | trans | -102.8 | 20.1 | -171.7 | 41.5 | 0 | 0 | 0 | 0 | 113.7 | D25 G29 E30 | D25-T27 PolarHBondContact OD1-N 2.74Å; D25-T27 PolarHBondContact OD1-OG1 2.93Å; T27-G29 PolarHBondContact O-N 3.3Å; T27-G29 VanDerWaalsContact O-N 3.12Å; T27-E30 PolarHBondContact O-N 2.73Å | ||
| 28 | F | 44.4 | Very low | 47.1 | Very low | 209 Ų | 209 | 118 Ų | 118 | 92% | 0.917 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | 112.3 | 178.8 | -172.8 | -96.1 | 0 | 0 | 0 | 110.8 | ||
| 29 | G | 48.8 | Very low | 47.1 | Very low | 59 Ų | 59 | 115.6 Ų | 115.6 | 61% | 0.608 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 87.4 | 8.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | T27 | T27-G29 PolarHBondContact O-N 3.3Å; T27-G29 VanDerWaalsContact O-N 3.12Å |
| 30 | E | 53 | Low | 47.2 | Very low | 73 Ų | 73 | 119.7 Ų | 119.7 | 34% | 0.341 | 63% | 0.631 | S | S | . | * | trans | -76.3 | 144.6 | 163.8 | -76.2 | -165.7 | 143.3 | 0 | 0 | 110.2 | T27 K81 | T27-E30 PolarHBondContact O-N 2.73Å; E30-K81 IonicContact OE1-NZ 3.66Å; E30-K81 PolarHBondContact OE1-NZ 3.25Å | ||
| 31 | H | 51.8 | Low | 47.6 | Very low | 171 Ų | 171 | 117.7 Ų | 117.7 | 79% | 0.792 | 62% | 0.62 | S | S | * | * | trans | -63.2 | 135.1 | -178.8 | -169.4 | 74.1 | 0 | 0 | 0 | 110.5 | Q33 | H31-Q33 PolarHBondContact O-N 3.14Å; H31-Q33 VanDerWaalsContact O-N 3.09Å | ||
| 32 | L | 53.4 | Low | 47.8 | Very low | 104 Ų | 104 | 118.5 Ų | 118.5 | 55% | 0.545 | 62% | 0.622 | S | S | . | * | trans | -61.3 | 113.3 | 166.2 | -69.8 | 171.5 | 0 | 0 | 0 | 107 | E36 L37 | L32-E36 WeakPolarHBondContact CA-OE2 3.46Å; L32-E36 VanDerWaalsContact CD2-OE2 3.23Å; L32-E36 WeakPolarHBondContact CD2-OE2 3.33Å; L32-L37 HydrophobicContact CB-CD2 4.25Å; L32-L37 HydrophobicContact CD1-CD2 4.12Å | ||
| 33 | Q | 50.8 | Low | 47.9 | Very low | 123 Ų | 123 | 113.9 Ų | 113.9 | 58% | 0.575 | 63% | 0.627 | S | S | * | * | trans | -62.1 | 147.1 | 179 | -157.2 | -178.3 | 3.6 | 0 | 0 | 108.5 | H31 S35 E36 | H31-Q33 PolarHBondContact O-N 3.14Å; H31-Q33 VanDerWaalsContact O-N 3.09Å; Q33-S35 WeakPolarHBondContact CB-OG 3.46Å; Q33-S35 WeakPolarHBondContact CG-OG 3.05Å; Q33-S35 PolarHBondContact O-N 3.01Å; Q33-S35 PolarHBondContact OE1-OG 3.11Å; Q33-E36 HydrophobicContact CB-CG 4.28Å; Q33-E36 WeakPolarHBondContact O-CA 3.44Å; Q33-E36 VanDerWaalsContact O-CB 3.27Å; Q33-E36 WeakPolarHBondContact O-CB 3.32Å; Q33-E36 PolarHBondContact O-N 2.84Å | ||
| 34 | E | 44.7 | Very low | 47.9 | Very low | 150 Ų | 150 | 111.8 Ų | 111.8 | 70% | 0.701 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -58.9 | -23.5 | -177.8 | -141.7 | 172.6 | -169.7 | 0 | 0 | 112.5 | E36 L37 L38 | E34-E36 VanDerWaalsContact C-N 3.26Å; E34-E36 PolarHBondContact O-N 3.27Å; E34-L37 PolarHBondContact O-N 3.06Å; E34-L38 PolarHBondContact O-N 3.17Å |
| 35 | S | 48.5 | Very low | 48 | Very low | 71 Ų | 71 | 105 Ų | 105 | 50% | 0.497 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -67.7 | -16.8 | 169.4 | 52 | 0 | 0 | 0 | 0 | 114.7 | Q33 | Q33-S35 WeakPolarHBondContact CB-OG 3.46Å; Q33-S35 WeakPolarHBondContact CG-OG 3.05Å; Q33-S35 PolarHBondContact O-N 3.01Å; Q33-S35 PolarHBondContact OE1-OG 3.11Å |
| 36 | E | 48.3 | Very low | 48.2 | Very low | 106 Ų | 106 | 103.9 Ų | 103.9 | 50% | 0.495 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -91.9 | -17.1 | 172.7 | -57 | -170.3 | 147.9 | 0 | 0 | 112.3 | L32 Q33 E34 | L32-E36 WeakPolarHBondContact CA-OE2 3.46Å; L32-E36 VanDerWaalsContact CD2-OE2 3.23Å; L32-E36 WeakPolarHBondContact CD2-OE2 3.33Å; Q33-E36 HydrophobicContact CB-CG 4.28Å; Q33-E36 WeakPolarHBondContact O-CA 3.44Å; Q33-E36 VanDerWaalsContact O-CB 3.27Å; Q33-E36 WeakPolarHBondContact O-CB 3.32Å; Q33-E36 PolarHBondContact O-N 2.84Å; E34-E36 VanDerWaalsContact C-N 3.26Å; E34-E36 PolarHBondContact O-N 3.27Å |
| 37 | L | 51.3 | Low | 47.9 | Very low | 104 Ų | 104 | 109.4 Ų | 109.4 | 55% | 0.545 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -87.8 | -24.1 | 179.7 | -62.8 | 178.2 | 0 | 0 | 0 | 113.1 | L32 E34 | L32-L37 HydrophobicContact CB-CD2 4.25Å; L32-L37 HydrophobicContact CD1-CD2 4.12Å; E34-L37 PolarHBondContact O-N 3.06Å |
| 38 | L | 45.3 | Very low | 47.6 | Very low | 118 Ų | 118 | 112.4 Ų | 112.4 | 62% | 0.618 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -120.9 | 115.4 | -176.5 | -68.5 | 169.5 | 0 | 0 | 0 | 111.4 | E34 T40 | E34-L38 PolarHBondContact O-N 3.17Å; L38-T40 PolarHBondContact O-N 3.22Å |
| 39 | P | 43.7 | Very low | 47.6 | Very low | 108 Ų | 108 | 108.7 Ų | 108.7 | 70% | 0.701 | 62% | 0.616 | S | S | * | * | trans | -69.1 | 101.3 | 172.4 | 28 | -31.5 | 0 | 0 | 0 | 109.1 | S41 | P39-S41 PolarHBondContact O-N 2.82Å; P39-S41 VanDerWaalsContact O-N 3.09Å | ||
| 40 | T | 46.3 | Very low | 47.6 | Very low | 139 Ų | 139 | 113 Ų | 113 | 85% | 0.853 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -70.6 | 0 | 178.7 | -16.2 | 0 | 0 | 0 | 0 | 113.4 | L38 | L38-T40 PolarHBondContact O-N 3.22Š|
| 41 | S | 47.5 | Very low | 47.1 | Very low | 58 Ų | 58 | 111.7 Ų | 111.7 | 41% | 0.406 | 61% | 0.613 | S | S | . | * | S | Bend | trans | -159.8 | 138.9 | 168.5 | 59.8 | 0 | 0 | 0 | 0 | 112.7 | P39 G43 | P39-S41 PolarHBondContact O-N 2.82Å; P39-S41 VanDerWaalsContact O-N 3.09Å; S41-G43 PolarHBondContact O-N 2.76Å |
| 42 | P | 43.2 | Very low | 46.7 | Very low | 142 Ų | 142 | 108.2 Ų | 108.2 | 92% | 0.922 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | 104.4 | 172.8 | 31.5 | -28.6 | 0 | 0 | 0 | 108.8 | ||
| 43 | G | 51.1 | Low | 46.3 | Very low | 74 Ų | 74 | 109.8 Ų | 109.8 | 76% | 0.763 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 145.6 | -12.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | S41 | S41-G43 PolarHBondContact O-N 2.76Š|
| 44 | L | 47.2 | Very low | 46.1 | Very low | 97 Ų | 97 | 113.3 Ų | 113.3 | 51% | 0.508 | 63% | 0.627 | S | S | . | * | S | Bend | trans | -113.3 | 112.9 | 174.5 | -64.6 | 174.7 | 0 | 0 | 0 | 109.2 | T46 M49 | L44-T46 PolarHBondContact O-N 2.68Å; L44-M49 HydrophobicContact CB-CE 4.06Å; L44-M49 HydrophobicContact CD1-CE 3.39Å; L44-M49 HydrophobicContact CG-CE 4.32Å |
| 45 | S | 42.8 | Very low | 46.2 | Very low | 60 Ų | 60 | 110.9 Ų | 110.9 | 42% | 0.42 | 61% | 0.611 | S | S | . | * | trans | -47.4 | 130.5 | 171.8 | -176.6 | 0 | 0 | 0 | 0 | 110.4 | F47 L48 | S45-F47 PolarHBondContact O-N 2.64Å; S45-F47 VanDerWaalsContact OG-CD2 3.23Å; S45-F47 WeakPolarHBondContact OG-CD2 3.05Å; S45-L48 PolarHBondContact O-N 2.67Å | ||
| 46 | T | 47.4 | Very low | 45.9 | Very low | 96 Ų | 96 | 113.6 Ų | 113.6 | 59% | 0.589 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.1 | -19.9 | 174.5 | 30.5 | 0 | 0 | 0 | 0 | 112.6 | L44 L48 | L44-T46 PolarHBondContact O-N 2.68Å; T46-L48 VanDerWaalsContact C-N 3.28Å; T46-L48 PolarHBondContact O-N 2.85Å |
| 47 | F | 45.1 | Very low | 45.6 | Very low | 176 Ų | 176 | 112.1 Ų | 112.1 | 77% | 0.772 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | -18.3 | 173 | -62.6 | -87.6 | 0 | 0 | 0 | 114.2 | S45 | S45-F47 PolarHBondContact O-N 2.64Å; S45-F47 VanDerWaalsContact OG-CD2 3.23Å; S45-F47 WeakPolarHBondContact OG-CD2 3.05Å |
| 48 | L | 44.9 | Very low | 45.5 | Very low | 122 Ų | 122 | 109.9 Ų | 109.9 | 64% | 0.639 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.3 | -18.9 | -178.2 | -64.3 | 175.5 | 0 | 0 | 0 | 113.8 | S45 T46 R50 | S45-L48 PolarHBondContact O-N 2.67Å; T46-L48 VanDerWaalsContact C-N 3.28Å; T46-L48 PolarHBondContact O-N 2.85Å; L48-R50 PolarHBondContact O-N 2.82Å |
| 49 | M | 44.9 | Very low | 45.6 | Very low | 131 Ų | 131 | 108.2 Ų | 108.2 | 65% | 0.645 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -81.5 | -3.5 | 176 | -70.7 | -63.4 | 150.4 | 0 | 0 | 113.3 | L44 S51 | L44-M49 HydrophobicContact CB-CE 4.06Å; L44-M49 HydrophobicContact CD1-CE 3.39Å; L44-M49 HydrophobicContact CG-CE 4.32Å; M49-S51 PolarHBondContact O-N 3.06Å |
| 50 | R | 48.2 | Very low | 45.5 | Very low | 150 Ų | 150 | 107.5 Ų | 107.5 | 57% | 0.566 | 59% | 0.585 | S | S | * | * | trans | -78.9 | 41.3 | 171.7 | -142.6 | 173.2 | -167.7 | -114 | 4.9 | 111.7 | L48 | L48-R50 PolarHBondContact O-N 2.82Š| ||
| 51 | S | 42.9 | Very low | 45.2 | Very low | 46 Ų | 46 | 105.8 Ų | 105.8 | 32% | 0.322 | 57% | 0.567 | S | S | . | * | trans | -74.2 | 127.1 | -178.4 | -170 | 0 | 0 | 0 | 0 | 110.2 | M49 I53 | M49-S51 PolarHBondContact O-N 3.06Å; S51-I53 PolarHBondContact O-N 3.28Å | ||
| 52 | P | 44.2 | Very low | 44.9 | Very low | 98 Ų | 98 | 103.9 Ų | 103.9 | 64% | 0.636 | 55% | 0.553 | S | S | * | * | G | 310 helix | trans | -74.2 | -2.3 | -178.4 | 30.8 | -35.1 | 0 | 0 | 0 | 113.5 | ||
| 53 | I | 45 | Very low | 45.3 | Very low | 137 Ų | 137 | 97.6 Ų | 97.6 | 70% | 0.703 | 52% | 0.515 | S | S | * | . | G | 310 helix | trans | -82.1 | -25.2 | -169.1 | -60.2 | 169.1 | 0 | 0 | 0 | 112.5 | S51 | S51-I53 PolarHBondContact O-N 3.28Š|
| 54 | F | 45.4 | Very low | 45.7 | Very low | 196 Ų | 196 | 96.6 Ų | 96.6 | 86% | 0.86 | 49% | 0.491 | S | S | * | . | G | 310 helix | trans | -104.8 | 10.7 | 178.6 | -66.5 | -74.6 | 0 | 0 | 0 | 113.6 | ||
| 55 | R | 46.3 | Very low | 46.9 | Very low | 99 Ų | 99 | 93.2 Ų | 93.2 | 37% | 0.374 | 48% | 0.476 | S | S | . | . | S | Bend | trans | -87.9 | 136.6 | 177.8 | -69.3 | -172.8 | -173.2 | -156.2 | -8.6 | 110.7 | ||
| 56 | M | 42.6 | Very low | 48.8 | Very low | 129 Ų | 129 | 92.9 Ų | 92.9 | 64% | 0.635 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -53.4 | 158 | 165 | -70.1 | -63.8 | -78.9 | 0 | 0 | 109.7 | S58 | M56-S58 PolarHBondContact O-N 3.1Å; M56-S58 VanDerWaalsContact O-N 3.07Å |
| 57 | P | 42.6 | Very low | 50.8 | Low | 74 Ų | 74 | 93.4 Ų | 93.4 | 48% | 0.481 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -48.8 | 124.6 | -174.2 | 19.6 | -33.2 | 0 | 0 | 0 | 110.6 | W59 I60 | P57-W59 PolarHBondContact O-N 3.11Å; P57-I60 HydrophobicContact CG-CD1 4.21Å; P57-I60 PolarHBondContact O-N 3.46Å; P57-I60 VanDerWaalsContact O-N 3.13Å |
| 58 | S | 48.7 | Very low | 52.9 | Low | 57 Ų | 57 | 89.5 Ų | 89.5 | 40% | 0.399 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -19.9 | -154.3 | 48.9 | 0 | 0 | 0 | 0 | 116.8 | M56 T62 | M56-S58 PolarHBondContact O-N 3.1Å; M56-S58 VanDerWaalsContact O-N 3.07Å; S58-T62 PolarHBondContact O-OG1 3.42Å |
| 59 | W | 47 | Very low | 55 | Low | 84 Ų | 84 | 88.3 Ų | 88.3 | 32% | 0.318 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -23.3 | -177.8 | 64.2 | -67.3 | 0 | 0 | 0 | 114.4 | P57 V141 | P57-W59 PolarHBondContact O-N 3.11Å; W59-V141 HydrophobicContact CE3-CG1 4.32Å; W59-V141 HydrophobicContact CZ3-CG1 4.48Å |
| 60 | I | 42.2 | Very low | 57.1 | Low | 92 Ų | 92 | 86 Ų | 86 | 47% | 0.472 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -22.3 | -178.5 | -59.2 | 175.8 | 0 | 0 | 0 | 111.9 | P57 | P57-I60 HydrophobicContact CG-CD1 4.21Å; P57-I60 PolarHBondContact O-N 3.46Å; P57-I60 VanDerWaalsContact O-N 3.13Å |
| 61 | E | 39.8 | Very low | 59 | Low | 103 Ų | 103 | 87.3 Ų | 87.3 | 48% | 0.481 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.2 | -12.2 | -164.6 | -156.9 | 174.2 | -175.2 | 0 | 0 | 115.1 | ||
| 62 | T | 42.3 | Very low | 61.3 | Low | 18 Ų | 18 | 90.1 Ų | 90.1 | 11% | 0.11 | 45% | 0.447 | C | S | . | . | S | Bend | trans | -120.5 | 8 | -163.5 | 57.5 | 0 | 0 | 0 | 0 | 117.8 | S58 L64 | S58-T62 PolarHBondContact O-OG1 3.42Å; T62-L64 WeakPolarHBondContact O-CG 3.19Å; T62-L64 PolarHBondContact O-N 2.74Å; T62-L64 WeakPolarHBondContact OG1-CD1 3.48Å; T62-L64 WeakPolarHBondContact OG1-CG 3.48Å |
| 63 | G | 49.9 | Very low | 63.6 | Low | 11 Ų | 11 | 89.4 Ų | 89.4 | 11% | 0.113 | 43% | 0.434 | C | S | . | . | trans | 67.6 | 4.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | D79 | G63-D79 WeakPolarHBondContact CA-OD2 3.37Å; G63-D79 PolarHBondContact N-OD2 3Å | ||
| 64 | L | 59.8 | Low | 66 | Low | 52 Ų | 52 | 83 Ų | 83 | 27% | 0.272 | 40% | 0.401 | S | S | . | . | trans | -83.1 | 133.2 | -165 | -70.6 | 179.8 | 0 | 0 | 0 | 110.6 | Q26 T62 E66 | Q26-L64 HydrophobicContact CB-CD2 4.21Å; Q26-L64 HydrophobicContact CG-CD2 4.36Å; T62-L64 WeakPolarHBondContact O-CG 3.19Å; T62-L64 PolarHBondContact O-N 2.74Å; T62-L64 WeakPolarHBondContact OG1-CD1 3.48Å; T62-L64 WeakPolarHBondContact OG1-CG 3.48Å; L64-E66 PolarHBondContact O-N 3.06Å | ||
| 65 | S | 73.3 | Confident | 68.3 | Low | 27 Ų | 27 | 74 Ų | 74 | 19% | 0.189 | 36% | 0.363 | C | S | . | . | trans | -72.3 | 127.5 | 159.6 | 175.8 | 0 | 0 | 0 | 0 | 109.5 | N77 Y121 | S65-N77 CarbonylContact C-O 3.57Å; S65-N77 WeakPolarHBondContact CA-O 3.21Å; S65-Y121 WeakPolarHBondContact CB-OH 3.43Å; S65-Y121 VanDerWaalsContact OG-CE1 3.23Å; S65-Y121 WeakPolarHBondContact OG-CE1 3.4Å; S65-Y121 VanDerWaalsContact OG-CZ 3.26Å; S65-Y121 PolarHBondContact OG-OH 3.21Å | ||
| 66 | E | 83.3 | Confident | 70.6 | Confident | 53 Ų | 53 | 69.3 Ų | 69.3 | 25% | 0.248 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 124 | 168.9 | -170.4 | 179 | -176.8 | 0 | 0 | 109.3 | L64 R68 V76 N77 | L64-E66 PolarHBondContact O-N 3.06Å; E66-R68 HydrophobicContact CG-CG 4.13Å; E66-R68 IonicContact OE1-CZ 3.57Å; E66-R68 VanDerWaalsContact OE1-CZ 3.23Å; E66-R68 IonicContact OE1-NE 3.56Å; E66-R68 PolarHBondContact OE1-NE 3.24Å; E66-R68 IonicContact OE1-NH2 2.88Å; E66-R68 PolarHBondContact OE1-NH2 2.75Å; E66-R68 IonicContact OE2-CZ 2.84Å; E66-R68 IonicContact OE2-NE 2.95Å; E66-R68 IonicContact OE2-NH2 3.74Å; E66-R68 PolarHBondContact OE2-NH2 2.83Å; E66-V76 CarbonylContact O-C 3.51Å; E66-V76 WeakPolarHBondContact O-CA 3.48Å; E66-N77 PolarHBondContact N-O 3.23Å; E66-N77 PolarHBondContact O-N 2.82Å |
| 67 | M | 88.4 | Confident | 73.1 | Confident | 107 Ų | 107 | 64.2 Ų | 64.2 | 53% | 0.527 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 123.2 | 171.4 | 175.4 | 172.4 | 46.1 | 0 | 0 | 108.6 | F74 S75 V76 Y121 | M67-F74 HydrophobicContact CG-CE2 3.81Å; M67-F74 HydrophobicContact CG-CZ 4.47Å; M67-F74 HydrophobicContact SD-CE2 3.85Å; M67-F74 HydrophobicContact SD-CZ 4.32Å; M67-S75 CarbonylContact C-O 3.53Å; M67-S75 WeakPolarHBondContact CA-O 3.23Å; M67-V76 HydrophobicContact CB-CG2 4.25Å; M67-V76 HydrophobicContact CG-CG2 4.07Å; M67-Y121 HydrophobicContact SD-CD1 4.3Å |
| 68 | R | 89 | Confident | 75.4 | Confident | 94 Ų | 94 | 60.8 Ų | 60.8 | 36% | 0.355 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 140.3 | 178.5 | -64.8 | -168.3 | 178 | 162.9 | 10.6 | 111.3 | E66 S75 | E66-R68 HydrophobicContact CG-CG 4.13Å; E66-R68 IonicContact OE1-CZ 3.57Å; E66-R68 VanDerWaalsContact OE1-CZ 3.23Å; E66-R68 IonicContact OE1-NE 3.56Å; E66-R68 PolarHBondContact OE1-NE 3.24Å; E66-R68 IonicContact OE1-NH2 2.88Å; E66-R68 PolarHBondContact OE1-NH2 2.75Å; E66-R68 IonicContact OE2-CZ 2.84Å; E66-R68 IonicContact OE2-NE 2.95Å; E66-R68 IonicContact OE2-NH2 3.74Å; E66-R68 PolarHBondContact OE2-NH2 2.83Å; R68-S75 PolarHBondContact N-O 2.77Å; R68-S75 PolarHBondContact O-N 2.97Å |
| 69 | L | 89.9 | Confident | 77.4 | Confident | 97 Ų | 97 | 59.2 Ų | 59.2 | 51% | 0.508 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 88.3 | 177.4 | -168.3 | 73.1 | 0 | 0 | 0 | 107.8 | F74 P124 R148 | L69-F74 HydrophobicContact CD1-CB 4.43Å; L69-F74 HydrophobicContact CD1-CD2 4.06Å; L69-P124 HydrophobicContact CD1-CB 4.28Å; L69-P124 HydrophobicContact CD1-CG 3.73Å; L69-R148 VanDerWaalsContact CD1-CZ 3.44Å; L69-R148 VanDerWaalsContact CD1-NE 3.32Å; L69-R148 VanDerWaalsContact CG-CZ 3.45Å |
| 70 | E | 89.4 | Confident | 79.6 | Confident | 83 Ų | 83 | 55.3 Ų | 55.3 | 39% | 0.388 | 27% | 0.271 | S | S | . | . | trans | -87.3 | 169.2 | 176.8 | -64.8 | 172.5 | -175.5 | 0 | 0 | 109.9 | D72 K73 R148 | E70-D72 VanDerWaalsContact C-N 3.27Å; E70-D72 PolarHBondContact O-N 3.35Å; E70-K73 WeakPolarHBondContact CA-O 3.41Å; E70-K73 HydrophobicContact CB-CB 4.37Å; E70-K73 WeakPolarHBondContact CB-O 3.47Å; E70-K73 PolarHBondContact N-O 2.82Å; E70-R148 WeakPolarHBondContact O-CD 2.87Å; E70-R148 PolarHBondContact O-NH1 3.41Å | ||
| 71 | K | 87.2 | Confident | 81.8 | Confident | 176 Ų | 176 | 55.2 Ų | 55.2 | 77% | 0.765 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -57.5 | -40.5 | -173.3 | -69.4 | -176.7 | 178.5 | -177.6 | 0 | 113.2 | L150 | K71-L150 WeakPolarHBondContact O-CD2 2.96Š|
| 72 | D | 90.3 | Very high | 84.2 | Confident | 105 Ų | 105 | 54.2 Ų | 54.2 | 56% | 0.561 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -114.2 | -8 | -171.8 | 57.8 | -37.2 | 0 | 0 | 0 | 112.9 | E70 P147 R148 | E70-D72 VanDerWaalsContact C-N 3.27Å; E70-D72 PolarHBondContact O-N 3.35Å; D72-P147 WeakPolarHBondContact O-CA 3.48Å; D72-R148 PolarHBondContact O-N 3.22Å |
| 73 | K | 93.1 | Very high | 86.5 | Confident | 84 Ų | 84 | 54.8 Ų | 54.8 | 37% | 0.365 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 138.8 | -172.2 | -172.6 | 176.8 | 178.3 | -178.2 | 0 | 112.9 | E70 R148 | E70-K73 WeakPolarHBondContact CA-O 3.41Å; E70-K73 HydrophobicContact CB-CB 4.37Å; E70-K73 WeakPolarHBondContact CB-O 3.47Å; E70-K73 PolarHBondContact N-O 2.82Å; K73-R148 WeakPolarHBondContact O-CD 3.42Å |
| 74 | F | 94.8 | Very high | 88.6 | Confident | 1 Ų | 1 | 56.1 Ų | 56.1 | 0% | 0.004 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 134 | 165.3 | 166.8 | -102.7 | 0 | 0 | 0 | 108.6 | M67 L69 V76 I97 P124 V127 S145 A146 R148 | M67-F74 HydrophobicContact CG-CE2 3.81Å; M67-F74 HydrophobicContact CG-CZ 4.47Å; M67-F74 HydrophobicContact SD-CE2 3.85Å; M67-F74 HydrophobicContact SD-CZ 4.32Å; L69-F74 HydrophobicContact CD1-CB 4.43Å; L69-F74 HydrophobicContact CD1-CD2 4.06Å; F74-V76 HydrophobicContact CE1-CG2 4.09Å; F74-V76 HydrophobicContact CE2-CG2 4.21Å; F74-V76 HydrophobicContact CZ-CG2 3.57Å; F74-I97 HydrophobicContact CE1-CD1 3.67Å; F74-I97 HydrophobicContact CZ-CD1 4.14Å; F74-P124 HydrophobicContact CD2-CG 3.78Å; F74-P124 HydrophobicContact CE2-CG 3.99Å; F74-P124 HydrophobicContact CG-CG 4.41Å; F74-V127 HydrophobicContact CB-CG2 3.56Å; F74-V127 HydrophobicContact CD1-CG1 4.39Å; F74-V127 HydrophobicContact CD1-CG2 4.4Å; F74-V127 HydrophobicContact CG-CG2 4.01Å; F74-S145 CarbonylContact O-C 3.55Å; F74-S145 WeakPolarHBondContact O-CA 3.45Å; F74-S145 WeakPolarHBondContact O-CB 3.31Å; F74-A146 PolarHBondContact N-O 2.85Å; F74-A146 PolarHBondContact O-N 2.82Å; F74-R148 HydrophobicContact CB-CG 4.04Å |
| 75 | S | 95.3 | Very high | 90.2 | Very high | 7 Ų | 7 | 58.2 Ų | 58.2 | 5% | 0.049 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 148.9 | 174.7 | 59.2 | 0 | 0 | 0 | 0 | 113.2 | M67 R68 V144 | M67-S75 CarbonylContact C-O 3.53Å; M67-S75 WeakPolarHBondContact CA-O 3.23Å; R68-S75 PolarHBondContact N-O 2.77Å; R68-S75 PolarHBondContact O-N 2.97Å; S75-V144 CarbonylContact C-O 3.5Å; S75-V144 VanDerWaalsContact CA-O 3.27Å; S75-V144 WeakPolarHBondContact CA-O 3.22Å |
| 76 | V | 94.5 | Very high | 91.3 | Very high | 1 Ų | 1 | 65.5 Ų | 65.5 | 1% | 0.006 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 121.2 | 171.4 | 179.3 | 0 | 0 | 0 | 0 | 107.2 | E66 M67 F74 Y121 T143 V144 | E66-V76 CarbonylContact O-C 3.51Å; E66-V76 WeakPolarHBondContact O-CA 3.48Å; M67-V76 HydrophobicContact CB-CG2 4.25Å; M67-V76 HydrophobicContact CG-CG2 4.07Å; F74-V76 HydrophobicContact CE1-CG2 4.09Å; F74-V76 HydrophobicContact CE2-CG2 4.21Å; F74-V76 HydrophobicContact CZ-CG2 3.57Å; V76-Y121 HydrophobicContact CG1-CD1 4.01Å; V76-Y121 HydrophobicContact CG1-CD2 4Å; V76-Y121 HydrophobicContact CG1-CE1 3.74Å; V76-Y121 HydrophobicContact CG1-CE2 3.73Å; V76-Y121 HydrophobicContact CG1-CG 4.14Å; V76-Y121 HydrophobicContact CG2-CD1 4.17Å; V76-Y121 HydrophobicContact CG2-CD2 4.49Å; V76-Y121 HydrophobicContact CG2-CG 4.08Å; V76-T143 CarbonylContact O-C 3.57Å; V76-T143 WeakPolarHBondContact O-CA 3.39Å; V76-V144 HydrophobicContact CB-CB 4.38Å; V76-V144 PolarHBondContact N-O 2.94Å; V76-V144 PolarHBondContact O-N 2.87Å |
| 77 | N | 93.4 | Very high | 91.9 | Very high | 23 Ų | 23 | 63.9 Ų | 63.9 | 12% | 0.123 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 134.1 | 174.2 | -63.1 | 8.1 | 0 | 0 | 0 | 107.8 | S65 E66 V141 L142 | S65-N77 CarbonylContact C-O 3.57Å; S65-N77 WeakPolarHBondContact CA-O 3.21Å; E66-N77 PolarHBondContact N-O 3.23Å; E66-N77 PolarHBondContact O-N 2.82Å; N77-V141 HydrophobicContact CB-CG1 4.26Å; N77-L142 CarbonylContact C-O 3.53Å; N77-L142 WeakPolarHBondContact CA-O 3.27Å |
| 78 | L | 92.9 | Very high | 92.3 | Very high | 2 Ų | 2 | 59.9 Ų | 59.9 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 121.5 | -178.7 | 178.9 | 68.5 | 0 | 0 | 0 | 109.6 | V80 I99 F117 V141 L142 | L78-V80 HydrophobicContact CD2-CG1 3.72Å; L78-V80 HydrophobicContact CG-CG1 3.75Å; L78-V80 PolarHBondContact O-N 2.82Å; L78-I99 HydrophobicContact CD2-CD1 4.38Å; L78-I99 HydrophobicContact CD2-CG2 4.02Å; L78-F117 HydrophobicContact CD2-CD2 4.48Å; L78-F117 HydrophobicContact CD2-CE2 3.55Å; L78-F117 HydrophobicContact CD2-CZ 3.73Å; L78-V141 CarbonylContact O-C 3.55Å; L78-L142 HydrophobicContact CB-CB 4.46Å; L78-L142 PolarHBondContact N-O 2.73Å; L78-L142 PolarHBondContact O-N 3.02Å |
| 79 | D | 89.4 | Confident | 92.8 | Very high | 23 Ų | 23 | 61.3 Ų | 61.3 | 12% | 0.123 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 120.9 | 169.1 | 178 | 0.1 | 0 | 0 | 0 | 109.5 | G63 K81 | G63-D79 WeakPolarHBondContact CA-OD2 3.37Å; G63-D79 PolarHBondContact N-OD2 3Å; D79-K81 WeakPolarHBondContact OD1-CB 3.41Å; D79-K81 WeakPolarHBondContact OD1-CD 3.1Å; D79-K81 VanDerWaalsContact OD1-CG 3.26Å; D79-K81 WeakPolarHBondContact OD1-CG 3.17Å; D79-K81 PolarHBondContact OD1-N 2.82Å; D79-K81 IonicContact OD2-NZ 2.72Å; D79-K81 PolarHBondContact OD2-NZ 2.79Å |
| 80 | V | 92.7 | Very high | 93.1 | Very high | 3 Ų | 3 | 59 Ų | 59 | 2% | 0.018 | 29% | 0.29 | C | S | . | . | trans | -131.3 | 26 | 179.5 | -63 | 0 | 0 | 0 | 0 | 110.9 | L78 H82 F83 L88 F117 L136 G140 L142 | L78-V80 HydrophobicContact CD2-CG1 3.72Å; L78-V80 HydrophobicContact CG-CG1 3.75Å; L78-V80 PolarHBondContact O-N 2.82Å; V80-H82 PolarHBondContact O-N 2.85Å; V80-F83 HydrophobicContact CB-CD2 4.32Å; V80-F83 PolarHBondContact O-N 3.47Å; V80-L88 HydrophobicContact CB-CD1 4.17Å; V80-L88 HydrophobicContact CB-CD2 4.11Å; V80-L88 HydrophobicContact CG1-CD2 4.05Å; V80-L88 HydrophobicContact CG2-CD1 3.69Å; V80-L88 HydrophobicContact CG2-CD2 4.49Å; V80-F117 HydrophobicContact CG1-CE1 3.92Å; V80-F117 HydrophobicContact CG1-CZ 3.68Å; V80-L136 HydrophobicContact CG2-CD1 3.52Å; V80-G140 CarbonylContact C-O 3.47Å; V80-G140 WeakPolarHBondContact CA-O 3.29Å; V80-G140 VanDerWaalsContact CG2-O 3.23Å; V80-G140 WeakPolarHBondContact CG2-O 3.48Å; V80-G140 PolarHBondContact N-O 2.99Å; V80-L142 HydrophobicContact CG1-CB 4.22Å; V80-L142 HydrophobicContact CG2-CB 3.8Å | ||
| 81 | K | 89.8 | Confident | 93.5 | Very high | 90 Ų | 90 | 60.8 Ų | 60.8 | 39% | 0.391 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -21.3 | -175.8 | 70.5 | -165.2 | 174 | -140.7 | 0 | 115.4 | E30 D79 G140 | E30-K81 IonicContact OE1-NZ 3.66Å; E30-K81 PolarHBondContact OE1-NZ 3.25Å; D79-K81 WeakPolarHBondContact OD1-CB 3.41Å; D79-K81 WeakPolarHBondContact OD1-CD 3.1Å; D79-K81 VanDerWaalsContact OD1-CG 3.26Å; D79-K81 WeakPolarHBondContact OD1-CG 3.17Å; D79-K81 PolarHBondContact OD1-N 2.82Å; D79-K81 IonicContact OD2-NZ 2.72Å; D79-K81 PolarHBondContact OD2-NZ 2.79Å; K81-G140 PolarHBondContact N-O 2.48Å |
| 82 | H | 89.1 | Confident | 94 | Very high | 81 Ų | 81 | 55.1 Ų | 55.1 | 38% | 0.375 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 4.2 | 178 | -59 | -57.2 | 0 | 0 | 0 | 114.4 | V80 | V80-H82 PolarHBondContact O-N 2.85Š|
| 83 | F | 92.1 | Very high | 94.2 | Very high | 30 Ų | 30 | 55.2 Ų | 55.2 | 13% | 0.132 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -122.8 | 138.5 | -178.7 | -63 | -91.4 | 0 | 0 | 0 | 110.3 | V80 E87 L88 G101 H103 R115 F117 | V80-F83 HydrophobicContact CB-CD2 4.32Å; V80-F83 PolarHBondContact O-N 3.47Å; F83-E87 WeakPolarHBondContact CA-OE2 3.4Å; F83-E87 HydrophobicContact CB-CB 4.44Å; F83-E87 HydrophobicContact CD1-CB 4.33Å; F83-L88 HydrophobicContact CB-CD1 4.4Å; F83-L88 HydrophobicContact CB-CD2 3.81Å; F83-L88 HydrophobicContact CB-CG 3.99Å; F83-L88 HydrophobicContact CG-CD2 4.15Å; F83-G101 VanDerWaalsContact CE1-C 3.48Å; F83-H103 HydrophobicContact CD1-CB 4.02Å; F83-H103 HydrophobicContact CE1-CB 3.9Å; F83-R115 HydrophobicContact CE1-CB 4.09Å; F83-R115 WeakPolarHBondContact CE1-O 3.45Å; F83-R115 HydrophobicContact CZ-CB 3.71Å; F83-F117 HydrophobicContact CD2-CD1 4.17Å; F83-F117 AromaticContact CD2-CE1 3.8Å; F83-F117 HydrophobicContact CD2-CE1 3.8Å; F83-F117 HydrophobicContact CE1-CD1 4.15Å; F83-F117 HydrophobicContact CE1-CE1 4.35Å; F83-F117 AromaticContact CE2-CD1 3.5Å; F83-F117 HydrophobicContact CE2-CD1 3.5Å; F83-F117 AromaticContact CE2-CE1 3.63Å; F83-F117 HydrophobicContact CE2-CE1 3.63Å; F83-F117 HydrophobicContact CG-CE1 4.26Å; F83-F117 AromaticContact CZ-CD1 3.5Å; F83-F117 HydrophobicContact CZ-CD1 3.5Å; F83-F117 VanDerWaalsContact CZ-CD1 3.5Å; F83-F117 AromaticContact CZ-CE1 3.93Å; F83-F117 HydrophobicContact CZ-CE1 3.93Å |
| 84 | S | 92.3 | Very high | 94.1 | Very high | 39 Ų | 39 | 54.2 Ų | 54.2 | 27% | 0.273 | 29% | 0.29 | S | S | . | . | trans | -76.8 | 158.7 | 169.1 | 70.4 | 0 | 0 | 0 | 0 | 110.8 | E86 E87 | S84-E86 PolarHBondContact O-N 3.47Å; S84-E86 VanDerWaalsContact O-N 3.12Å; S84-E87 PolarHBondContact N-OE2 3.45Å; S84-E87 WeakPolarHBondContact O-CB 3.2Å; S84-E87 PolarHBondContact O-N 2.89Å; S84-E87 VanDerWaalsContact OG-CG 3.29Å; S84-E87 WeakPolarHBondContact OG-CG 3.35Å; S84-E87 PolarHBondContact OG-OE1 2.72Å | ||
| 85 | P | 94.9 | Very high | 94 | Very high | 96 Ų | 96 | 57.3 Ų | 57.3 | 62% | 0.623 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -55.8 | -31.5 | 178.2 | -22.3 | 30.3 | 0 | 0 | 0 | 113.5 | E87 L88 L136 | P85-E87 VanDerWaalsContact C-N 3.31Å; P85-L88 PolarHBondContact O-N 2.75Å; P85-L136 HydrophobicContact CB-CD2 4.04Å; P85-L136 HydrophobicContact CG-CD2 3.78Å |
| 86 | E | 96.2 | Very high | 94.1 | Very high | 181 Ų | 181 | 60.9 Ų | 60.9 | 85% | 0.846 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -73.3 | -23.4 | -179.8 | -59.5 | -179.2 | -175.5 | 0 | 0 | 113.1 | S84 L88 | S84-E86 PolarHBondContact O-N 3.47Å; S84-E86 VanDerWaalsContact O-N 3.12Å; E86-L88 VanDerWaalsContact C-N 3.32Å |
| 87 | E | 95.8 | Very high | 94.2 | Very high | 19 Ų | 19 | 60.8 Ų | 60.8 | 9% | 0.089 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -84.5 | -10.1 | 178.9 | -70.3 | 158.9 | -158.7 | 0 | 0 | 112.4 | F83 S84 P85 G101 K102 H103 R106 | F83-E87 WeakPolarHBondContact CA-OE2 3.4Å; F83-E87 HydrophobicContact CB-CB 4.44Å; F83-E87 HydrophobicContact CD1-CB 4.33Å; S84-E87 PolarHBondContact N-OE2 3.45Å; S84-E87 WeakPolarHBondContact O-CB 3.2Å; S84-E87 PolarHBondContact O-N 2.89Å; S84-E87 VanDerWaalsContact OG-CG 3.29Å; S84-E87 WeakPolarHBondContact OG-CG 3.35Å; S84-E87 PolarHBondContact OG-OE1 2.72Å; P85-E87 VanDerWaalsContact C-N 3.31Å; E87-G101 WeakPolarHBondContact O-CA 3.49Å; E87-K102 WeakPolarHBondContact CB-O 3.36Å; E87-K102 WeakPolarHBondContact CG-O 3.23Å; E87-K102 PolarHBondContact O-N 2.77Å; E87-H103 VanDerWaalsContact CD-ND1 3.33Å; E87-H103 IonicContact OE1-CE1 3.9Å; E87-H103 IonicContact OE1-ND1 2.74Å; E87-H103 PolarHBondContact OE1-ND1 3.2Å; E87-H103 IonicContact OE2-CE1 3.91Å; E87-H103 IonicContact OE2-CG 3.46Å; E87-H103 IonicContact OE2-ND1 3.23Å; E87-H103 PolarHBondContact OE2-ND1 2.88Å; E87-R106 IonicContact OE1-CZ 3.14Å; E87-R106 IonicContact OE1-NH1 2.73Å; E87-R106 PolarHBondContact OE1-NH1 2.88Å; E87-R106 IonicContact OE1-NH2 2.81Å; E87-R106 PolarHBondContact OE1-NH2 2.81Å |
| 88 | L | 97.1 | Very high | 94.4 | Very high | 23 Ų | 23 | 60.9 Ų | 60.9 | 12% | 0.12 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 137.3 | -177 | -64.6 | 170.4 | 0 | 0 | 0 | 111.5 | V80 F83 P85 E86 H100 F117 L136 | V80-L88 HydrophobicContact CB-CD1 4.17Å; V80-L88 HydrophobicContact CB-CD2 4.11Å; V80-L88 HydrophobicContact CG1-CD2 4.05Å; V80-L88 HydrophobicContact CG2-CD1 3.69Å; V80-L88 HydrophobicContact CG2-CD2 4.49Å; F83-L88 HydrophobicContact CB-CD1 4.4Å; F83-L88 HydrophobicContact CB-CD2 3.81Å; F83-L88 HydrophobicContact CB-CG 3.99Å; F83-L88 HydrophobicContact CG-CD2 4.15Å; P85-L88 PolarHBondContact O-N 2.75Å; E86-L88 VanDerWaalsContact C-N 3.32Å; L88-H100 CarbonylContact C-O 3.56Å; L88-H100 WeakPolarHBondContact CA-O 3.49Å; L88-F117 HydrophobicContact CD2-CE1 3.95Å; L88-F117 HydrophobicContact CD2-CZ 3.88Å; L88-L136 HydrophobicContact CD1-CD1 4.44Å; L88-L136 HydrophobicContact CD1-CD2 4.04Å |
| 89 | K | 97.9 | Very high | 94.6 | Very high | 123 Ų | 123 | 60.8 Ų | 60.8 | 54% | 0.535 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 121.7 | 176.9 | -68.4 | 176.6 | -176.2 | 168.3 | 0 | 109.5 | I99 H100 | K89-I99 WeakPolarHBondContact O-CA 3.41Å; K89-H100 HydrophobicContact CB-CB 4.46Å; K89-H100 PolarHBondContact N-O 3.46Å; K89-H100 PolarHBondContact O-N 2.74Å |
| 90 | V | 97.7 | Very high | 94.9 | Very high | 49 Ų | 49 | 61.9 Ų | 61.9 | 30% | 0.297 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 128 | 173.5 | -176.3 | 0 | 0 | 0 | 0 | 108.4 | I97 I99 L142 V144 | V90-I97 HydrophobicContact CG1-CG2 4.2Å; V90-I99 HydrophobicContact CG2-CG2 4.35Å; V90-L142 HydrophobicContact CG2-CD1 4.42Å; V90-L142 HydrophobicContact CG2-CD2 3.96Å; V90-V144 HydrophobicContact CG1-CG2 4.31Å |
| 91 | K | 97.9 | Very high | 95.1 | Very high | 121 Ų | 121 | 61.8 Ų | 61.8 | 53% | 0.526 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 141.5 | 177.1 | -63.6 | -179.5 | -177.9 | 177 | 0 | 110 | L93 I97 D98 | K91-L93 HydrophobicContact CB-CG 4.49Å; K91-I97 CarbonylContact O-C 3.59Å; K91-I97 WeakPolarHBondContact O-CA 3.27Å; K91-D98 HydrophobicContact CB-CB 4.41Å; K91-D98 PolarHBondContact N-O 2.76Å; K91-D98 PolarHBondContact O-N 2.8Å |
| 92 | V | 97 | Very high | 95.4 | Very high | 56 Ų | 56 | 61.2 Ų | 61.2 | 34% | 0.339 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 119.9 | 169.8 | 178.3 | 0 | 0 | 0 | 0 | 107.4 | M96 I97 I123 P129 I132 | V92-M96 WeakPolarHBondContact CA-O 3.34Å; V92-I97 HydrophobicContact CG2-CG1 4.35Å; V92-I123 HydrophobicContact CG1-CD1 3.82Å; V92-P129 HydrophobicContact CG1-CB 3.88Å; V92-I132 HydrophobicContact CG1-CD1 4.17Å; V92-I132 HydrophobicContact CG2-CB 4.36Å; V92-I132 HydrophobicContact CG2-CD1 4.08Å; V92-I132 HydrophobicContact CG2-CG2 4.17Å |
| 93 | L | 93.7 | Very high | 95.6 | Very high | 107 Ų | 107 | 58.6 Ų | 58.6 | 56% | 0.56 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 101.4 | -177.5 | -65.1 | 174.1 | 0 | 0 | 0 | 108.6 | K91 D95 M96 | K91-L93 HydrophobicContact CB-CG 4.49Å; L93-D95 PolarHBondContact O-N 2.86Å; L93-D95 VanDerWaalsContact O-N 3.14Å; L93-M96 PolarHBondContact N-O 3.18Å; L93-M96 PolarHBondContact O-N 2.97Å |
| 94 | G | 91.5 | Very high | 95.7 | Very high | 64 Ų | 64 | 62.2 Ų | 62.2 | 66% | 0.66 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62 | -113.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 95 | D | 93.4 | Very high | 95.7 | Very high | 66 Ų | 66 | 66.9 Ų | 66.9 | 35% | 0.353 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 18.1 | 178.6 | 70.7 | -21.7 | 0 | 0 | 0 | 113.2 | L93 R122 I123 | L93-D95 PolarHBondContact O-N 2.86Å; L93-D95 VanDerWaalsContact O-N 3.14Å; D95-R122 IonicContact OD2-CZ 3.13Å; D95-R122 IonicContact OD2-NE 3.94Å; D95-R122 IonicContact OD2-NH1 3.3Å; D95-R122 PolarHBondContact OD2-NH1 3.45Å; D95-R122 IonicContact OD2-NH2 2.73Å; D95-R122 PolarHBondContact OD2-NH2 2.93Å; D95-I123 WeakPolarHBondContact O-CB 3.48Å; D95-I123 PolarHBondContact O-N 3.2Å |
| 96 | M | 96 | Very high | 95.3 | Very high | 81 Ų | 81 | 68.3 Ų | 68.3 | 40% | 0.399 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 142.4 | 179.4 | -70.3 | -169.4 | -73 | 0 | 0 | 113.3 | V92 L93 Y121 | V92-M96 WeakPolarHBondContact CA-O 3.34Å; L93-M96 PolarHBondContact N-O 3.18Å; L93-M96 PolarHBondContact O-N 2.97Å; M96-Y121 CarbonylContact C-O 3.56Å; M96-Y121 WeakPolarHBondContact CA-O 3.44Å |
| 97 | I | 97.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 123.4 | 164.4 | -61.7 | 157.6 | 0 | 0 | 0 | 107.2 | F74 V90 K91 V92 I99 K120 Y121 I123 I132 V144 | F74-I97 HydrophobicContact CE1-CD1 3.67Å; F74-I97 HydrophobicContact CZ-CD1 4.14Å; V90-I97 HydrophobicContact CG1-CG2 4.2Å; K91-I97 CarbonylContact O-C 3.59Å; K91-I97 WeakPolarHBondContact O-CA 3.27Å; V92-I97 HydrophobicContact CG2-CG1 4.35Å; I97-I99 HydrophobicContact CG2-CD1 4.33Å; I97-I99 HydrophobicContact CG2-CG1 3.89Å; I97-K120 CarbonylContact O-C 3.52Å; I97-K120 VanDerWaalsContact O-CA 3.22Å; I97-K120 WeakPolarHBondContact O-CA 3.35Å; I97-Y121 PolarHBondContact N-O 3.39Å; I97-Y121 PolarHBondContact O-N 2.98Å; I97-I123 HydrophobicContact CD1-CG1 3.97Å; I97-I123 HydrophobicContact CG1-CD1 3.97Å; I97-I123 HydrophobicContact CG1-CG1 3.75Å; I97-I132 HydrophobicContact CD1-CD1 4.07Å; I97-I132 HydrophobicContact CG1-CD1 4.07Å; I97-V144 HydrophobicContact CD1-CG1 3.98Å; I97-V144 HydrophobicContact CG2-CG1 4.35Å |
| 98 | D | 97.1 | Very high | 94 | Very high | 25 Ų | 25 | 68.7 Ų | 68.7 | 13% | 0.134 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 116.4 | 175.2 | -169.7 | -15.2 | 0 | 0 | 0 | 108.8 | K91 N118 K120 | K91-D98 HydrophobicContact CB-CB 4.41Å; K91-D98 PolarHBondContact N-O 2.76Å; K91-D98 PolarHBondContact O-N 2.8Å; D98-N118 PolarHBondContact OD1-ND2 2.79Å; D98-N118 PolarHBondContact OD1-OD1 3.42Å; D98-K120 HydrophobicContact CB-CG 4.34Å; D98-K120 WeakPolarHBondContact OD2-CE 3.48Å; D98-K120 IonicContact OD2-NZ 2.68Å |
| 99 | I | 97 | Very high | 93.1 | Very high | 0 Ų | 0 | 76.3 Ų | 76.3 | 0% | 0 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 117.2 | 177.8 | -50.2 | -174.7 | 0 | 0 | 0 | 107.9 | L78 K89 V90 I97 F117 N118 R119 Y121 L142 V144 | L78-I99 HydrophobicContact CD2-CD1 4.38Å; L78-I99 HydrophobicContact CD2-CG2 4.02Å; K89-I99 WeakPolarHBondContact O-CA 3.41Å; V90-I99 HydrophobicContact CG2-CG2 4.35Å; I97-I99 HydrophobicContact CG2-CD1 4.33Å; I97-I99 HydrophobicContact CG2-CG1 3.89Å; I99-F117 HydrophobicContact CB-CE2 4.31Å; I99-F117 HydrophobicContact CG2-CE2 3.73Å; I99-F117 HydrophobicContact CG2-CZ 3.99Å; I99-N118 CarbonylContact O-C 3.54Å; I99-N118 WeakPolarHBondContact O-CA 3.23Å; I99-R119 PolarHBondContact N-O 2.85Å; I99-R119 PolarHBondContact O-N 3.4Å; I99-Y121 HydrophobicContact CD1-CD2 4.18Å; I99-Y121 HydrophobicContact CD1-CE2 3.75Å; I99-Y121 HydrophobicContact CG1-CD2 4.47Å; I99-Y121 HydrophobicContact CG1-CE2 4.24Å; I99-L142 HydrophobicContact CD1-CD2 4.04Å; I99-L142 HydrophobicContact CG2-CD2 3.55Å; I99-V144 HydrophobicContact CD1-CG2 3.88Å |
| 100 | H | 97.2 | Very high | 92.2 | Very high | 46 Ų | 46 | 78.4 Ų | 78.4 | 21% | 0.213 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 127.4 | 179.1 | -175.2 | -121.9 | 0 | 0 | 0 | 109.6 | L88 K89 E116 F117 | L88-H100 CarbonylContact C-O 3.56Å; L88-H100 WeakPolarHBondContact CA-O 3.49Å; K89-H100 HydrophobicContact CB-CB 4.46Å; K89-H100 PolarHBondContact N-O 3.46Å; K89-H100 PolarHBondContact O-N 2.74Å; H100-E116 IonicContact CD2-OE1 2.94Å; H100-E116 IonicContact CE1-OE1 2.67Å; H100-E116 PolarHBondContact CE1-OE1 3.36Å; H100-E116 IonicContact NE2-OE1 3.43Å; H100-E116 PolarHBondContact NE2-OE1 3.43Å; H100-F117 WeakPolarHBondContact CA-O 3.22Å; H100-F117 PolarHBondContact CD2-O 2.98Å |
| 101 | G | 96.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 77.4 Ų | 77.4 | 0% | 0 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 126.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | F83 E87 E116 F117 | F83-G101 VanDerWaalsContact CE1-C 3.48Å; E87-G101 WeakPolarHBondContact O-CA 3.49Å; G101-E116 CarbonylContact O-C 3.57Å; G101-E116 VanDerWaalsContact O-CA 3.29Å; G101-E116 WeakPolarHBondContact O-CA 3.4Å; G101-F117 PolarHBondContact N-O 2.85Å; G101-F117 PolarHBondContact O-N 2.67Å |
| 102 | K | 96.3 | Very high | 91 | Very high | 78 Ų | 78 | 78.1 Ų | 78.1 | 34% | 0.339 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 109.9 | 179.7 | -168 | -175.2 | -172.2 | -149 | 0 | 111 | E87 E104 E116 | E87-K102 WeakPolarHBondContact CB-O 3.36Å; E87-K102 WeakPolarHBondContact CG-O 3.23Å; E87-K102 PolarHBondContact O-N 2.77Å; K102-E104 WeakPolarHBondContact CD-OE1 3.46Å; K102-E104 WeakPolarHBondContact CE-OE1 3.12Å; K102-E104 IonicContact NZ-OE1 2.89Å; K102-E104 PolarHBondContact NZ-OE1 2.85Å; K102-E104 IonicContact NZ-OE2 3.36Å; K102-E104 PolarHBondContact NZ-OE2 3.01Å; K102-E116 HydrophobicContact CB-CG 4.28Å; K102-E116 HydrophobicContact CG-CB 4.39Å; K102-E116 HydrophobicContact CG-CG 4.08Å |
| 103 | H | 93.1 | Very high | 90.5 | Very high | 26 Ų | 26 | 77.5 Ų | 77.5 | 12% | 0.12 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 109.3 | 170.8 | -169.6 | 89 | 0 | 0 | 0 | 108.2 | F83 E87 R106 A114 R115 | F83-H103 HydrophobicContact CD1-CB 4.02Å; F83-H103 HydrophobicContact CE1-CB 3.9Å; E87-H103 VanDerWaalsContact CD-ND1 3.33Å; E87-H103 IonicContact OE1-CE1 3.9Å; E87-H103 IonicContact OE1-ND1 2.74Å; E87-H103 PolarHBondContact OE1-ND1 3.2Å; E87-H103 IonicContact OE2-CE1 3.91Å; E87-H103 IonicContact OE2-CG 3.46Å; E87-H103 IonicContact OE2-ND1 3.23Å; E87-H103 PolarHBondContact OE2-ND1 2.88Å; H103-R106 PolarHBondContact CE1-NH1 3.49Å; H103-A114 WeakPolarHBondContact O-CA 3.2Å; H103-R115 WeakPolarHBondContact CA-O 3.36Å; H103-R115 HydrophobicContact CB-CB 4.14Å; H103-R115 WeakPolarHBondContact CB-O 3.33Å; H103-R115 PolarHBondContact N-O 2.77Å; H103-R115 PolarHBondContact O-N 2.8Å |
| 104 | E | 93.1 | Very high | 90.4 | Very high | 107 Ų | 107 | 75.5 Ų | 75.5 | 50% | 0.5 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 162 | 174 | -60.8 | -62.9 | 164.3 | 0 | 0 | 110.9 | K102 R106 | K102-E104 WeakPolarHBondContact CD-OE1 3.46Å; K102-E104 WeakPolarHBondContact CE-OE1 3.12Å; K102-E104 IonicContact NZ-OE1 2.89Å; K102-E104 PolarHBondContact NZ-OE1 2.85Å; K102-E104 IonicContact NZ-OE2 3.36Å; K102-E104 PolarHBondContact NZ-OE2 3.01Å; E104-R106 PolarHBondContact O-N 2.83Å; E104-R106 VanDerWaalsContact O-N 3.09Å |
| 105 | E | 92.3 | Very high | 90.3 | Very high | 137 Ų | 137 | 76.1 Ų | 76.1 | 64% | 0.64 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57.1 | 116.8 | 177.5 | -172.1 | 174.1 | -146.6 | 0 | 0 | 110.9 | F112 I113 A114 | E105-F112 HydrophobicContact CG-CB 3.8Å; E105-F112 HydrophobicContact CG-CD1 4.24Å; E105-F112 HydrophobicContact CG-CG 4.4Å; E105-F112 WeakPolarHBondContact OE1-CB 3.09Å; E105-I113 WeakPolarHBondContact CA-O 3.49Å; E105-A114 HydrophobicContact CB-CB 4.19Å |
| 106 | R | 87.2 | Confident | 90.3 | Very high | 125 Ų | 125 | 78.9 Ų | 78.9 | 47% | 0.472 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 148.3 | 174.6 | -68.1 | -173.3 | -172.7 | 146.5 | 11.7 | 110.2 | E87 H103 E104 D108 F112 I113 | E87-R106 IonicContact OE1-CZ 3.14Å; E87-R106 IonicContact OE1-NH1 2.73Å; E87-R106 PolarHBondContact OE1-NH1 2.88Å; E87-R106 IonicContact OE1-NH2 2.81Å; E87-R106 PolarHBondContact OE1-NH2 2.81Å; H103-R106 PolarHBondContact CE1-NH1 3.49Å; E104-R106 PolarHBondContact O-N 2.83Å; E104-R106 VanDerWaalsContact O-N 3.09Å; R106-D108 PolarHBondContact O-N 3.3Å; R106-F112 CarbonylContact O-C 3.52Å; R106-F112 WeakPolarHBondContact O-CA 3.5Å; R106-I113 PolarHBondContact N-O 2.76Å; R106-I113 PolarHBondContact O-N 2.88Å |
| 107 | Q | 86.4 | Confident | 90.2 | Very high | 152 Ų | 152 | 76.8 Ų | 76.8 | 71% | 0.71 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 128.8 | 172.7 | -165.7 | 175.5 | -0.7 | 0 | 0 | 109.3 | G111 F112 | Q107-G111 CarbonylContact C-O 3.57Å; Q107-G111 VanDerWaalsContact CA-O 3.27Å; Q107-G111 WeakPolarHBondContact CA-O 3.29Å; Q107-G111 WeakPolarHBondContact CG-O 3.48Å; Q107-F112 HydrophobicContact CB-CD1 4.07Å; Q107-F112 HydrophobicContact CB-CE1 3.88Å; Q107-F112 HydrophobicContact CG-CE1 4.21Å; Q107-F112 HydrophobicContact CG-CZ 4.41Å |
| 108 | D | 78.8 | Confident | 90 | Very high | 57 Ų | 57 | 80.7 Ų | 80.7 | 31% | 0.305 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | -173.1 | 173.4 | 83.4 | -22.7 | 0 | 0 | 0 | 110.4 | R106 H110 G111 I113 | R106-D108 PolarHBondContact O-N 3.3Å; D108-H110 PolarHBondContact O-N 3.12Å; D108-H110 VanDerWaalsContact O-N 3.16Å; D108-H110 PolarHBondContact OD1-N 2.97Å; D108-G111 PolarHBondContact N-O 2.82Å; D108-G111 VanDerWaalsContact OD1-C 3.24Å; D108-G111 WeakPolarHBondContact OD1-CA 3.33Å; D108-G111 PolarHBondContact OD1-N 2.58Å; D108-G111 VanDerWaalsContact OD1-O 3.13Å; D108-I113 HydrophobicContact CB-CG1 4.49Å; D108-I113 WeakPolarHBondContact OD2-CD1 3.42Å; D108-I113 WeakPolarHBondContact OD2-CG1 3.23Å |
| 109 | E | 78.1 | Confident | 89.9 | Confident | 182 Ų | 182 | 82.3 Ų | 82.3 | 85% | 0.85 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -22.6 | -178.8 | -66.7 | -178.6 | 163 | 0 | 0 | 113.6 | ||
| 110 | H | 78.2 | Confident | 89.7 | Confident | 167 Ų | 167 | 88.3 Ų | 88.3 | 77% | 0.773 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.3 | 1.8 | -170 | -57.8 | 91.6 | 0 | 0 | 0 | 113.9 | D108 | D108-H110 PolarHBondContact O-N 3.12Å; D108-H110 VanDerWaalsContact O-N 3.16Å; D108-H110 PolarHBondContact OD1-N 2.97Å |
| 111 | G | 85.3 | Confident | 89.6 | Confident | 29 Ų | 29 | 87.1 Ų | 87.1 | 30% | 0.299 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 151.6 | -133.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q107 D108 | Q107-G111 CarbonylContact C-O 3.57Å; Q107-G111 VanDerWaalsContact CA-O 3.27Å; Q107-G111 WeakPolarHBondContact CA-O 3.29Å; Q107-G111 WeakPolarHBondContact CG-O 3.48Å; D108-G111 PolarHBondContact N-O 2.82Å; D108-G111 VanDerWaalsContact OD1-C 3.24Å; D108-G111 WeakPolarHBondContact OD1-CA 3.33Å; D108-G111 PolarHBondContact OD1-N 2.58Å; D108-G111 VanDerWaalsContact OD1-O 3.13Å |
| 112 | F | 86.1 | Confident | 89.5 | Confident | 136 Ų | 136 | 95.5 Ų | 95.5 | 60% | 0.596 | 45% | 0.445 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 136.3 | 175.7 | -65.3 | -90.9 | 0 | 0 | 0 | 108.9 | E105 R106 Q107 | E105-F112 HydrophobicContact CG-CB 3.8Å; E105-F112 HydrophobicContact CG-CD1 4.24Å; E105-F112 HydrophobicContact CG-CG 4.4Å; E105-F112 WeakPolarHBondContact OE1-CB 3.09Å; R106-F112 CarbonylContact O-C 3.52Å; R106-F112 WeakPolarHBondContact O-CA 3.5Å; Q107-F112 HydrophobicContact CB-CD1 4.07Å; Q107-F112 HydrophobicContact CB-CE1 3.88Å; Q107-F112 HydrophobicContact CG-CE1 4.21Å; Q107-F112 HydrophobicContact CG-CZ 4.41Å |
| 113 | I | 86.3 | Confident | 89.4 | Confident | 43 Ų | 43 | 92.1 Ų | 92.1 | 22% | 0.221 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 133.3 | 176.4 | -60.4 | -170.7 | 0 | 0 | 0 | 110.7 | E105 R106 D108 R115 | E105-I113 WeakPolarHBondContact CA-O 3.49Å; R106-I113 PolarHBondContact N-O 2.76Å; R106-I113 PolarHBondContact O-N 2.88Å; D108-I113 HydrophobicContact CB-CG1 4.49Å; D108-I113 WeakPolarHBondContact OD2-CD1 3.42Å; D108-I113 WeakPolarHBondContact OD2-CG1 3.23Å; I113-R115 HydrophobicContact CG2-CG 3.83Å; I113-R115 VanDerWaalsContact CG2-CZ 3.43Å; I113-R115 VanDerWaalsContact CG2-NH1 3.27Å |
| 114 | A | 90.8 | Very high | 89.5 | Confident | 64 Ų | 64 | 92.3 Ų | 92.3 | 53% | 0.529 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 144.6 | 161.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | H103 E105 | H103-A114 WeakPolarHBondContact O-CA 3.2Å; E105-A114 HydrophobicContact CB-CB 4.19Å |
| 115 | R | 90.2 | Very high | 89.4 | Confident | 77 Ų | 77 | 92.7 Ų | 92.7 | 29% | 0.291 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 137.9 | 176.6 | -61.9 | -178.4 | 177.9 | 87.5 | 0.6 | 109.5 | F83 H103 I113 | F83-R115 HydrophobicContact CE1-CB 4.09Å; F83-R115 WeakPolarHBondContact CE1-O 3.45Å; F83-R115 HydrophobicContact CZ-CB 3.71Å; H103-R115 WeakPolarHBondContact CA-O 3.36Å; H103-R115 HydrophobicContact CB-CB 4.14Å; H103-R115 WeakPolarHBondContact CB-O 3.33Å; H103-R115 PolarHBondContact N-O 2.77Å; H103-R115 PolarHBondContact O-N 2.8Å; I113-R115 HydrophobicContact CG2-CG 3.83Å; I113-R115 VanDerWaalsContact CG2-CZ 3.43Å; I113-R115 VanDerWaalsContact CG2-NH1 3.27Å |
| 116 | E | 94 | Very high | 89.3 | Confident | 124 Ų | 124 | 87.9 Ų | 87.9 | 58% | 0.579 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 137.4 | 174.7 | -173.7 | 170.3 | 179 | 0 | 0 | 110.3 | H100 G101 K102 | H100-E116 IonicContact CD2-OE1 2.94Å; H100-E116 IonicContact CE1-OE1 2.67Å; H100-E116 PolarHBondContact CE1-OE1 3.36Å; H100-E116 IonicContact NE2-OE1 3.43Å; H100-E116 PolarHBondContact NE2-OE1 3.43Å; G101-E116 CarbonylContact O-C 3.57Å; G101-E116 VanDerWaalsContact O-CA 3.29Å; G101-E116 WeakPolarHBondContact O-CA 3.4Å; K102-E116 HydrophobicContact CB-CG 4.28Å; K102-E116 HydrophobicContact CG-CB 4.39Å; K102-E116 HydrophobicContact CG-CG 4.08Å |
| 117 | F | 93.3 | Very high | 89.6 | Confident | 37 Ų | 37 | 82.2 Ų | 82.2 | 16% | 0.162 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 149.7 | 169.9 | 78.2 | -94.6 | 0 | 0 | 0 | 111.3 | L78 V80 F83 L88 I99 H100 G101 R119 | L78-F117 HydrophobicContact CD2-CD2 4.48Å; L78-F117 HydrophobicContact CD2-CE2 3.55Å; L78-F117 HydrophobicContact CD2-CZ 3.73Å; V80-F117 HydrophobicContact CG1-CE1 3.92Å; V80-F117 HydrophobicContact CG1-CZ 3.68Å; F83-F117 HydrophobicContact CD2-CD1 4.17Å; F83-F117 AromaticContact CD2-CE1 3.8Å; F83-F117 HydrophobicContact CD2-CE1 3.8Å; F83-F117 HydrophobicContact CE1-CD1 4.15Å; F83-F117 HydrophobicContact CE1-CE1 4.35Å; F83-F117 AromaticContact CE2-CD1 3.5Å; F83-F117 HydrophobicContact CE2-CD1 3.5Å; F83-F117 AromaticContact CE2-CE1 3.63Å; F83-F117 HydrophobicContact CE2-CE1 3.63Å; F83-F117 HydrophobicContact CG-CE1 4.26Å; F83-F117 AromaticContact CZ-CD1 3.5Å; F83-F117 HydrophobicContact CZ-CD1 3.5Å; F83-F117 VanDerWaalsContact CZ-CD1 3.5Å; F83-F117 AromaticContact CZ-CE1 3.93Å; F83-F117 HydrophobicContact CZ-CE1 3.93Å; L88-F117 HydrophobicContact CD2-CE1 3.95Å; L88-F117 HydrophobicContact CD2-CZ 3.88Å; I99-F117 HydrophobicContact CB-CE2 4.31Å; I99-F117 HydrophobicContact CG2-CE2 3.73Å; I99-F117 HydrophobicContact CG2-CZ 3.99Å; H100-F117 WeakPolarHBondContact CA-O 3.22Å; H100-F117 PolarHBondContact CD2-O 2.98Å; G101-F117 PolarHBondContact N-O 2.85Å; G101-F117 PolarHBondContact O-N 2.67Å; F117-R119 HydrophobicContact CD2-CB 4.48Å; F117-R119 HydrophobicContact CD2-CG 4.06Å |
| 118 | N | 93.7 | Very high | 90 | Very high | 83 Ų | 83 | 77 Ų | 77 | 44% | 0.444 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 122.8 | 165.9 | -174.5 | -75.4 | 0 | 0 | 0 | 108.4 | D98 I99 K120 | D98-N118 PolarHBondContact OD1-ND2 2.79Å; D98-N118 PolarHBondContact OD1-OD1 3.42Å; I99-N118 CarbonylContact O-C 3.54Å; I99-N118 WeakPolarHBondContact O-CA 3.23Å; N118-K120 VanDerWaalsContact OD1-CE 3.31Å; N118-K120 WeakPolarHBondContact OD1-CE 3.43Å |
| 119 | R | 93 | Very high | 90.7 | Very high | 59 Ų | 59 | 76.7 Ų | 76.7 | 22% | 0.223 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 130.7 | 176.3 | -70.8 | -169.5 | -170.4 | -154.4 | 7.8 | 110.2 | I99 F117 Y121 | I99-R119 PolarHBondContact N-O 2.85Å; I99-R119 PolarHBondContact O-N 3.4Å; F117-R119 HydrophobicContact CD2-CB 4.48Å; F117-R119 HydrophobicContact CD2-CG 4.06Å; R119-Y121 HydrophobicContact CB-CE2 3.86Å; R119-Y121 WeakPolarHBondContact CD-OH 3.26Å |
| 120 | K | 94.4 | Very high | 91.5 | Very high | 125 Ų | 125 | 75.7 Ų | 75.7 | 54% | 0.543 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 131.8 | 179.7 | -63.3 | -178.8 | -179.4 | -175.8 | 0 | 110.7 | I97 D98 N118 | I97-K120 CarbonylContact O-C 3.52Å; I97-K120 VanDerWaalsContact O-CA 3.22Å; I97-K120 WeakPolarHBondContact O-CA 3.35Å; D98-K120 HydrophobicContact CB-CG 4.34Å; D98-K120 WeakPolarHBondContact OD2-CE 3.48Å; D98-K120 IonicContact OD2-NZ 2.68Å; N118-K120 VanDerWaalsContact OD1-CE 3.31Å; N118-K120 WeakPolarHBondContact OD1-CE 3.43Å |
| 121 | Y | 94.4 | Very high | 92.3 | Very high | 21 Ų | 21 | 70.2 Ų | 70.2 | 8% | 0.082 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 134.2 | 176.4 | -55 | -86.2 | 0 | 0 | 0 | 109.4 | S65 M67 V76 M96 I97 I99 R119 | S65-Y121 WeakPolarHBondContact CB-OH 3.43Å; S65-Y121 VanDerWaalsContact OG-CE1 3.23Å; S65-Y121 WeakPolarHBondContact OG-CE1 3.4Å; S65-Y121 VanDerWaalsContact OG-CZ 3.26Å; S65-Y121 PolarHBondContact OG-OH 3.21Å; M67-Y121 HydrophobicContact SD-CD1 4.3Å; V76-Y121 HydrophobicContact CG1-CD1 4.01Å; V76-Y121 HydrophobicContact CG1-CD2 4Å; V76-Y121 HydrophobicContact CG1-CE1 3.74Å; V76-Y121 HydrophobicContact CG1-CE2 3.73Å; V76-Y121 HydrophobicContact CG1-CG 4.14Å; V76-Y121 HydrophobicContact CG2-CD1 4.17Å; V76-Y121 HydrophobicContact CG2-CD2 4.49Å; V76-Y121 HydrophobicContact CG2-CG 4.08Å; M96-Y121 CarbonylContact C-O 3.56Å; M96-Y121 WeakPolarHBondContact CA-O 3.44Å; I97-Y121 PolarHBondContact N-O 3.39Å; I97-Y121 PolarHBondContact O-N 2.98Å; I99-Y121 HydrophobicContact CD1-CD2 4.18Å; I99-Y121 HydrophobicContact CD1-CE2 3.75Å; I99-Y121 HydrophobicContact CG1-CD2 4.47Å; I99-Y121 HydrophobicContact CG1-CE2 4.24Å; R119-Y121 HydrophobicContact CB-CE2 3.86Å; R119-Y121 WeakPolarHBondContact CD-OH 3.26Å |
| 122 | R | 94.8 | Very high | 92.8 | Very high | 176 Ų | 176 | 70 Ų | 70 | 66% | 0.664 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78 | 129.2 | 173.3 | -169.1 | 178.3 | -177.7 | 84.7 | 16 | 109 | D95 | D95-R122 IonicContact OD2-CZ 3.13Å; D95-R122 IonicContact OD2-NE 3.94Å; D95-R122 IonicContact OD2-NH1 3.3Å; D95-R122 PolarHBondContact OD2-NH1 3.45Å; D95-R122 IonicContact OD2-NH2 2.73Å; D95-R122 PolarHBondContact OD2-NH2 2.93Å |
| 123 | I | 94.9 | Very high | 93.4 | Very high | 8 Ų | 8 | 67.8 Ų | 67.8 | 4% | 0.041 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -76.8 | 125.9 | 175.4 | -57.5 | 167.5 | 0 | 0 | 0 | 107.6 | V92 D95 I97 V127 P129 I132 | V92-I123 HydrophobicContact CG1-CD1 3.82Å; D95-I123 WeakPolarHBondContact O-CB 3.48Å; D95-I123 PolarHBondContact O-N 3.2Å; I97-I123 HydrophobicContact CD1-CG1 3.97Å; I97-I123 HydrophobicContact CG1-CD1 3.97Å; I97-I123 HydrophobicContact CG1-CG1 3.75Å; I123-V127 HydrophobicContact CG2-CB 3.72Å; I123-V127 HydrophobicContact CG2-CG1 3.76Å; I123-P129 HydrophobicContact CD1-CB 4.4Å; I123-P129 HydrophobicContact CD1-CG 4.46Å; I123-I132 HydrophobicContact CD1-CD1 3.54Å; I123-I132 HydrophobicContact CG1-CD1 4.01Å; I123-I132 HydrophobicContact CG2-CD1 4.35Å |
| 124 | P | 93.3 | Very high | 93.9 | Very high | 30 Ų | 30 | 69.1 Ų | 69.1 | 20% | 0.195 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -58.5 | 147.9 | 172.3 | -23.9 | 34.3 | 0 | 0 | 0 | 112 | L69 F74 D126 V127 | L69-P124 HydrophobicContact CD1-CB 4.28Å; L69-P124 HydrophobicContact CD1-CG 3.73Å; F74-P124 HydrophobicContact CD2-CG 3.78Å; F74-P124 HydrophobicContact CE2-CG 3.99Å; F74-P124 HydrophobicContact CG-CG 4.41Å; P124-D126 WeakPolarHBondContact CB-OD1 3.35Å; P124-D126 PolarHBondContact O-N 3.07Å; P124-D126 VanDerWaalsContact O-N 3.11Å; P124-V127 HydrophobicContact CB-CG2 4.07Å; P124-V127 HydrophobicContact CG-CG2 4.13Å; P124-V127 PolarHBondContact O-N 2.94Å |
| 125 | A | 91.2 | Very high | 94.1 | Very high | 114 Ų | 114 | 69.6 Ų | 69.6 | 94% | 0.942 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -22.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 126 | D | 91.1 | Very high | 94.4 | Very high | 36 Ų | 36 | 69.1 Ų | 69.1 | 19% | 0.193 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | 3.5 | 179.5 | 61.1 | -46.1 | 0 | 0 | 0 | 113.4 | P124 R148 K149 | P124-D126 WeakPolarHBondContact CB-OD1 3.35Å; P124-D126 PolarHBondContact O-N 3.07Å; P124-D126 VanDerWaalsContact O-N 3.11Å; D126-R148 IonicContact OD1-NH2 3.89Å; D126-R148 IonicContact OD2-CZ 2.84Å; D126-R148 IonicContact OD2-NE 2.64Å; D126-R148 PolarHBondContact OD2-NE 2.73Å; D126-R148 IonicContact OD2-NH2 3.02Å; D126-R148 PolarHBondContact OD2-NH2 3.02Å; D126-K149 WeakPolarHBondContact O-CB 3.35Å; D126-K149 PolarHBondContact O-N 3.4Å |
| 127 | V | 93.9 | Very high | 94.4 | Very high | 7 Ų | 7 | 65.3 Ų | 65.3 | 4% | 0.042 | 36% | 0.362 | C | S | . | . | B | Isolated β-bridge | trans | -103.2 | 131.8 | 172.9 | 174.2 | 0 | 0 | 0 | 0 | 109.3 | F74 I123 P124 P129 I132 A146 R148 | F74-V127 HydrophobicContact CB-CG2 3.56Å; F74-V127 HydrophobicContact CD1-CG1 4.39Å; F74-V127 HydrophobicContact CD1-CG2 4.4Å; F74-V127 HydrophobicContact CG-CG2 4.01Å; I123-V127 HydrophobicContact CG2-CB 3.72Å; I123-V127 HydrophobicContact CG2-CG1 3.76Å; P124-V127 HydrophobicContact CB-CG2 4.07Å; P124-V127 HydrophobicContact CG-CG2 4.13Å; P124-V127 PolarHBondContact O-N 2.94Å; V127-P129 WeakPolarHBondContact O-CD 3.44Å; V127-I132 HydrophobicContact CG1-CG1 4.33Å; V127-A146 HydrophobicContact CG1-CB 3.5Å; V127-A146 VanDerWaalsContact CG1-CB 3.5Å; V127-R148 HydrophobicContact CG2-CG 3.76Å |
| 128 | D | 93.4 | Very high | 94.3 | Very high | 42 Ų | 42 | 72.7 Ų | 72.7 | 23% | 0.225 | 40% | 0.402 | C | S | . | . | trans | -83.6 | 119.4 | 175.3 | -164.4 | -34.5 | 0 | 0 | 0 | 110.6 | L130 T131 K149 | D128-L130 PolarHBondContact O-N 2.97Å; D128-L130 VanDerWaalsContact O-N 3.11Å; D128-L130 PolarHBondContact OD1-N 2.87Å; D128-L130 VanDerWaalsContact OD1-N 3.1Å; D128-T131 HydrophobicContact CB-CG2 3.84Å; D128-T131 PolarHBondContact O-N 3.13Å; D128-T131 PolarHBondContact O-OG1 2.95Å; D128-K149 IonicContact OD2-NZ 3.81Å; D128-K149 PolarHBondContact OD2-NZ 3.29Å | ||
| 129 | P | 94.4 | Very high | 94 | Very high | 51 Ų | 51 | 73.1 Ų | 73.1 | 33% | 0.331 | 40% | 0.404 | S | S | . | . | G | 310 helix | trans | -56.4 | -29.5 | -179.6 | -25.7 | 35.2 | 0 | 0 | 0 | 114 | V92 I123 V127 T131 I132 | V92-P129 HydrophobicContact CG1-CB 3.88Å; I123-P129 HydrophobicContact CD1-CB 4.4Å; I123-P129 HydrophobicContact CD1-CG 4.46Å; V127-P129 WeakPolarHBondContact O-CD 3.44Å; P129-T131 VanDerWaalsContact C-N 3.27Å; P129-T131 PolarHBondContact O-N 2.98Å; P129-I132 PolarHBondContact O-N 3.01Å |
| 130 | L | 94.1 | Very high | 93.8 | Very high | 161 Ų | 161 | 70.9 Ų | 70.9 | 84% | 0.843 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -73.9 | -19.3 | -179.3 | -62.4 | 175.1 | 0 | 0 | 0 | 113.2 | D128 | D128-L130 PolarHBondContact O-N 2.97Å; D128-L130 VanDerWaalsContact O-N 3.11Å; D128-L130 PolarHBondContact OD1-N 2.87Å; D128-L130 VanDerWaalsContact OD1-N 3.1Å |
| 131 | T | 95.3 | Very high | 93.8 | Very high | 52 Ų | 52 | 65.3 Ų | 65.3 | 32% | 0.319 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | -93 | -1.9 | -179.3 | 66 | 0 | 0 | 0 | 0 | 113 | D128 P129 T133 P147 | D128-T131 HydrophobicContact CB-CG2 3.84Å; D128-T131 PolarHBondContact O-N 3.13Å; D128-T131 PolarHBondContact O-OG1 2.95Å; P129-T131 VanDerWaalsContact C-N 3.27Å; P129-T131 PolarHBondContact O-N 2.98Å; T131-T133 PolarHBondContact O-N 2.92Å; T131-P147 HydrophobicContact CG2-CG 4.44Å |
| 132 | I | 96.9 | Very high | 93.8 | Very high | 25 Ų | 25 | 64.7 Ų | 64.7 | 13% | 0.128 | 37% | 0.374 | C | S | . | . | trans | -68.9 | 130.7 | 177.9 | -64 | 169.7 | 0 | 0 | 0 | 109.6 | V92 I97 I123 V127 P129 V144 A146 | V92-I132 HydrophobicContact CG1-CD1 4.17Å; V92-I132 HydrophobicContact CG2-CB 4.36Å; V92-I132 HydrophobicContact CG2-CD1 4.08Å; V92-I132 HydrophobicContact CG2-CG2 4.17Å; I97-I132 HydrophobicContact CD1-CD1 4.07Å; I97-I132 HydrophobicContact CG1-CD1 4.07Å; I123-I132 HydrophobicContact CD1-CD1 3.54Å; I123-I132 HydrophobicContact CG1-CD1 4.01Å; I123-I132 HydrophobicContact CG2-CD1 4.35Å; V127-I132 HydrophobicContact CG1-CG1 4.33Å; P129-I132 PolarHBondContact O-N 3.01Å; I132-V144 HydrophobicContact CG2-CG1 3.47Å; I132-V144 VanDerWaalsContact CG2-CG1 3.47Å; I132-A146 HydrophobicContact CB-CB 4.45Å; I132-A146 HydrophobicContact CG1-CB 3.78Å | ||
| 133 | T | 97.3 | Very high | 93.9 | Very high | 89 Ų | 89 | 57.8 Ų | 57.8 | 55% | 0.546 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 158.1 | 175.8 | 56.9 | 0 | 0 | 0 | 0 | 109.9 | T131 V144 S145 | T131-T133 PolarHBondContact O-N 2.92Å; T133-V144 CarbonylContact O-C 3.4Å; T133-V144 WeakPolarHBondContact O-CA 3.46Å; T133-S145 PolarHBondContact N-O 3.12Å; T133-S145 PolarHBondContact O-N 3.02Å; T133-S145 PolarHBondContact OG1-O 3.28Å |
| 134 | S | 96.9 | Very high | 94 | Very high | 71 Ų | 71 | 57.4 Ų | 57.4 | 50% | 0.497 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 144.5 | 177 | 60.6 | 0 | 0 | 0 | 0 | 111.6 | T143 | S134-T143 CarbonylContact C-O 3.53Å; S134-T143 WeakPolarHBondContact CA-O 3.38Å |
| 135 | S | 96.6 | Very high | 94.2 | Very high | 73 Ų | 73 | 57 Ų | 57 | 51% | 0.51 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 146.8 | 172.4 | 58.4 | 0 | 0 | 0 | 0 | 110.4 | T143 | S135-T143 PolarHBondContact N-O 2.96Å; S135-T143 PolarHBondContact O-N 2.81Å |
| 136 | L | 95.9 | Very high | 94.4 | Very high | 68 Ų | 68 | 51.8 Ų | 51.8 | 36% | 0.356 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 126.3 | 173.8 | 178.9 | 63.4 | 0 | 0 | 0 | 108.4 | V80 P85 L88 L142 | V80-L136 HydrophobicContact CG2-CD1 3.52Å; P85-L136 HydrophobicContact CB-CD2 4.04Å; P85-L136 HydrophobicContact CG-CD2 3.78Å; L88-L136 HydrophobicContact CD1-CD1 4.44Å; L88-L136 HydrophobicContact CD1-CD2 4.04Å; L136-L142 HydrophobicContact CD1-CB 4.23Å |
| 137 | S | 93.4 | Very high | 94.6 | Very high | 44 Ų | 44 | 53.6 Ų | 53.6 | 31% | 0.308 | 32% | 0.318 | S | S | . | . | trans | -86.3 | 162.9 | 178.6 | 63.9 | 0 | 0 | 0 | 0 | 112.1 | D139 G140 V141 | S137-D139 WeakPolarHBondContact CB-OD1 3.45Å; S137-D139 PolarHBondContact O-N 2.8Å; S137-D139 PolarHBondContact OG-OD1 3.23Å; S137-G140 PolarHBondContact O-N 3.07Å; S137-V141 PolarHBondContact N-O 2.84Å; S137-V141 WeakPolarHBondContact OG-CA 3.46Å; S137-V141 WeakPolarHBondContact OG-CB 3.48Å; S137-V141 PolarHBondContact OG-N 3.09Å; S137-V141 PolarHBondContact OG-O 3.36Å; S137-V141 VanDerWaalsContact OG-O 3.07Å | ||
| 138 | L | 90.8 | Very high | 94.5 | Very high | 192 Ų | 192 | 56 Ų | 56 | 100% | 1.005 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -26.4 | -178.6 | -66.4 | 174.6 | 0 | 0 | 0 | 113.2 | G140 | L138-G140 PolarHBondContact O-N 3.05Š|
| 139 | D | 87.6 | Confident | 94.1 | Very high | 92 Ų | 92 | 59.8 Ų | 59.8 | 49% | 0.492 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | 4.1 | 173.5 | 58.1 | -32.1 | 0 | 0 | 0 | 113.1 | S137 | S137-D139 WeakPolarHBondContact CB-OD1 3.45Å; S137-D139 PolarHBondContact O-N 2.8Å; S137-D139 PolarHBondContact OG-OD1 3.23Å |
| 140 | G | 89.8 | Confident | 92.9 | Very high | 12 Ų | 12 | 63.3 Ų | 63.3 | 12% | 0.124 | 36% | 0.356 | C | S | . | . | S | Bend | trans | 85 | 24.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | V80 K81 S137 L138 | V80-G140 CarbonylContact C-O 3.47Å; V80-G140 WeakPolarHBondContact CA-O 3.29Å; V80-G140 VanDerWaalsContact CG2-O 3.23Å; V80-G140 WeakPolarHBondContact CG2-O 3.48Å; V80-G140 PolarHBondContact N-O 2.99Å; K81-G140 PolarHBondContact N-O 2.48Å; S137-G140 PolarHBondContact O-N 3.07Å; L138-G140 PolarHBondContact O-N 3.05Å |
| 141 | V | 93.3 | Very high | 91.3 | Very high | 7 Ų | 7 | 59.3 Ų | 59.3 | 4% | 0.042 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 115.2 | 176.8 | -174.4 | 0 | 0 | 0 | 0 | 110.2 | W59 N77 L78 S137 | W59-V141 HydrophobicContact CE3-CG1 4.32Å; W59-V141 HydrophobicContact CZ3-CG1 4.48Å; N77-V141 HydrophobicContact CB-CG1 4.26Å; L78-V141 CarbonylContact O-C 3.55Å; S137-V141 PolarHBondContact N-O 2.84Å; S137-V141 WeakPolarHBondContact OG-CA 3.46Å; S137-V141 WeakPolarHBondContact OG-CB 3.48Å; S137-V141 PolarHBondContact OG-N 3.09Å; S137-V141 PolarHBondContact OG-O 3.36Å; S137-V141 VanDerWaalsContact OG-O 3.07Å |
| 142 | L | 95.6 | Very high | 89.7 | Confident | 8 Ų | 8 | 64.3 Ų | 64.3 | 4% | 0.042 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 120.4 | 170.8 | 177.8 | 65.7 | 0 | 0 | 0 | 109.4 | N77 L78 V80 V90 I99 L136 V144 | N77-L142 CarbonylContact C-O 3.53Å; N77-L142 WeakPolarHBondContact CA-O 3.27Å; L78-L142 HydrophobicContact CB-CB 4.46Å; L78-L142 PolarHBondContact N-O 2.73Å; L78-L142 PolarHBondContact O-N 3.02Å; V80-L142 HydrophobicContact CG1-CB 4.22Å; V80-L142 HydrophobicContact CG2-CB 3.8Å; V90-L142 HydrophobicContact CG2-CD1 4.42Å; V90-L142 HydrophobicContact CG2-CD2 3.96Å; I99-L142 HydrophobicContact CD1-CD2 4.04Å; I99-L142 HydrophobicContact CG2-CD2 3.55Å; L136-L142 HydrophobicContact CD1-CB 4.23Å; L142-V144 HydrophobicContact CG-CG2 4.45Å |
| 143 | T | 96.1 | Very high | 87.9 | Confident | 31 Ų | 31 | 69.8 Ų | 69.8 | 19% | 0.19 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 122.7 | 174.6 | -58.8 | 0 | 0 | 0 | 0 | 109.6 | V76 S134 S135 | V76-T143 CarbonylContact O-C 3.57Å; V76-T143 WeakPolarHBondContact O-CA 3.39Å; S134-T143 CarbonylContact C-O 3.53Å; S134-T143 WeakPolarHBondContact CA-O 3.38Å; S135-T143 PolarHBondContact N-O 2.96Å; S135-T143 PolarHBondContact O-N 2.81Å |
| 144 | V | 97.2 | Very high | 86.3 | Confident | 1 Ų | 1 | 71 Ų | 71 | 1% | 0.006 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 126.3 | 169.6 | -177.5 | 0 | 0 | 0 | 0 | 107.7 | S75 V76 V90 I97 I99 I132 T133 L142 | S75-V144 CarbonylContact C-O 3.5Å; S75-V144 VanDerWaalsContact CA-O 3.27Å; S75-V144 WeakPolarHBondContact CA-O 3.22Å; V76-V144 HydrophobicContact CB-CB 4.38Å; V76-V144 PolarHBondContact N-O 2.94Å; V76-V144 PolarHBondContact O-N 2.87Å; V90-V144 HydrophobicContact CG1-CG2 4.31Å; I97-V144 HydrophobicContact CD1-CG1 3.98Å; I97-V144 HydrophobicContact CG2-CG1 4.35Å; I99-V144 HydrophobicContact CD1-CG2 3.88Å; I132-V144 HydrophobicContact CG2-CG1 3.47Å; I132-V144 VanDerWaalsContact CG2-CG1 3.47Å; T133-V144 CarbonylContact O-C 3.4Å; T133-V144 WeakPolarHBondContact O-CA 3.46Å; L142-V144 HydrophobicContact CG-CG2 4.45Å |
| 145 | S | 96.6 | Very high | 85 | Confident | 22 Ų | 22 | 76.4 Ų | 76.4 | 15% | 0.154 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 154.7 | -176.4 | 72.8 | 0 | 0 | 0 | 0 | 114.1 | F74 T133 | F74-S145 CarbonylContact O-C 3.55Å; F74-S145 WeakPolarHBondContact O-CA 3.45Å; F74-S145 WeakPolarHBondContact O-CB 3.31Å; T133-S145 PolarHBondContact N-O 3.12Å; T133-S145 PolarHBondContact O-N 3.02Å; T133-S145 PolarHBondContact OG1-O 3.28Å |
| 146 | A | 96.6 | Very high | 84.1 | Confident | 3 Ų | 3 | 83.3 Ų | 83.3 | 3% | 0.025 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 149.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | F74 V127 I132 | F74-A146 PolarHBondContact N-O 2.85Å; F74-A146 PolarHBondContact O-N 2.82Å; V127-A146 HydrophobicContact CG1-CB 3.5Å; V127-A146 VanDerWaalsContact CG1-CB 3.5Å; I132-A146 HydrophobicContact CB-CB 4.45Å; I132-A146 HydrophobicContact CG1-CB 3.78Å |
| 147 | P | 94.6 | Very high | 83.3 | Confident | 75 Ų | 75 | 85.7 Ų | 85.7 | 49% | 0.487 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 143.1 | 167.4 | 29.3 | -34 | 0 | 0 | 0 | 110.7 | D72 T131 | D72-P147 WeakPolarHBondContact O-CA 3.48Å; T131-P147 HydrophobicContact CG2-CG 4.44Å |
| 148 | R | 92.6 | Very high | 83 | Confident | 56 Ų | 56 | 90 Ų | 90 | 21% | 0.211 | 47% | 0.472 | C | S | . | . | B | Isolated β-bridge | trans | -94 | 138.1 | 171.6 | -66.1 | 176.3 | 74.5 | -162.8 | 1.2 | 109.7 | L69 E70 D72 K73 F74 D126 V127 L150 | L69-R148 VanDerWaalsContact CD1-CZ 3.44Å; L69-R148 VanDerWaalsContact CD1-NE 3.32Å; L69-R148 VanDerWaalsContact CG-CZ 3.45Å; E70-R148 WeakPolarHBondContact O-CD 2.87Å; E70-R148 PolarHBondContact O-NH1 3.41Å; D72-R148 PolarHBondContact O-N 3.22Å; K73-R148 WeakPolarHBondContact O-CD 3.42Å; F74-R148 HydrophobicContact CB-CG 4.04Å; D126-R148 IonicContact OD1-NH2 3.89Å; D126-R148 IonicContact OD2-CZ 2.84Å; D126-R148 IonicContact OD2-NE 2.64Å; D126-R148 PolarHBondContact OD2-NE 2.73Å; D126-R148 IonicContact OD2-NH2 3.02Å; D126-R148 PolarHBondContact OD2-NH2 3.02Å; V127-R148 HydrophobicContact CG2-CG 3.76Å; R148-L150 PolarHBondContact O-N 3.09Å |
| 149 | K | 84 | Confident | 82.7 | Confident | 123 Ų | 123 | 85.9 Ų | 85.9 | 54% | 0.535 | 46% | 0.457 | S | S | . | . | trans | -73.4 | 112.8 | 167.4 | -66.1 | 174.3 | -178.6 | 167.2 | 0 | 106.7 | D126 D128 S151 | D126-K149 WeakPolarHBondContact O-CB 3.35Å; D126-K149 PolarHBondContact O-N 3.4Å; D128-K149 IonicContact OD2-NZ 3.81Å; D128-K149 PolarHBondContact OD2-NZ 3.29Å; K149-S151 PolarHBondContact O-N 2.86Å | ||
| 150 | L | 69.6 | Low | 82.6 | Confident | 125 Ų | 125 | 89.6 Ų | 89.6 | 65% | 0.654 | 48% | 0.475 | S | S | * | . | trans | -62.8 | 102.9 | 169.7 | -75.2 | 165 | 0 | 0 | 0 | 107.6 | K71 R148 D152 | K71-L150 WeakPolarHBondContact O-CD2 2.96Å; R148-L150 PolarHBondContact O-N 3.09Å; L150-D152 PolarHBondContact O-N 3.45Å | ||
| 151 | S | 61.7 | Low | 82.3 | Confident | 76 Ų | 76 | 94.7 Ų | 94.7 | 53% | 0.531 | 50% | 0.504 | S | S | . | . | trans | -77 | 102.8 | 163.7 | 58.6 | 0 | 0 | 0 | 0 | 106.7 | K149 L153 | K149-S151 PolarHBondContact O-N 2.86Å; S151-L153 PolarHBondContact O-N 3.46Å | ||
| 152 | D | 59.9 | Low | 81.6 | Confident | 157 Ų | 157 | 101.8 Ų | 101.8 | 84% | 0.84 | 54% | 0.536 | S | S | * | . | trans | -62.8 | 74.3 | 160.9 | -77.3 | -30 | 0 | 0 | 0 | 107.9 | L150 P154 | L150-D152 PolarHBondContact O-N 3.45Å; D152-P154 WeakPolarHBondContact O-CD 3.5Å | ||
| 153 | L | 60.8 | Low | 80.7 | Confident | 140 Ų | 140 | 110 Ų | 110 | 73% | 0.733 | 58% | 0.575 | S | S | * | * | trans | -72.7 | 122 | 171.5 | -69.7 | 175.4 | 0 | 0 | 0 | 106.5 | S151 E155 | S151-L153 PolarHBondContact O-N 3.46Å; L153-E155 PolarHBondContact O-N 3.05Å | ||
| 154 | P | 63 | Low | 79.7 | Confident | 116 Ų | 116 | 116.2 Ų | 116.2 | 75% | 0.753 | 60% | 0.602 | S | S | * | * | trans | -59.9 | 127.4 | 177.2 | 24 | -31.7 | 0 | 0 | 0 | 108.7 | D152 R156 | D152-P154 WeakPolarHBondContact O-CD 3.5Å; P154-R156 PolarHBondContact O-N 3.36Å; P154-R156 VanDerWaalsContact O-N 3.08Å | ||
| 155 | E | 69.8 | Low | 78.5 | Confident | 184 Ų | 184 | 125.2 Ų | 125.2 | 86% | 0.86 | 64% | 0.641 | S | S | * | * | trans | -50.9 | 115.9 | 173.7 | -176.1 | 178.5 | 178.5 | 0 | 0 | 109.2 | L153 | L153-E155 PolarHBondContact O-N 3.05Š| ||
| 156 | R | 77.8 | Confident | 76.8 | Confident | 217 Ų | 217 | 129.7 Ų | 129.7 | 82% | 0.819 | 67% | 0.669 | S | S | * | * | trans | -103.8 | 104.4 | 177.2 | -176.7 | 179.3 | 176.2 | 171.3 | -0.7 | 109.2 | P154 I158 | P154-R156 PolarHBondContact O-N 3.36Å; P154-R156 VanDerWaalsContact O-N 3.08Å; R156-I158 PolarHBondContact O-N 3.39Å | ||
| 157 | T | 79.6 | Confident | 75 | Confident | 119 Ų | 119 | 134.1 Ų | 134.1 | 73% | 0.73 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 119.3 | 169.2 | -47.2 | 0 | 0 | 0 | 0 | 109.5 | ||
| 158 | I | 85.9 | Confident | 73.4 | Confident | 134 Ų | 134 | 138.4 Ų | 138.4 | 69% | 0.687 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 117.4 | 174.8 | -56.2 | 175.9 | 0 | 0 | 0 | 107.7 | R156 | R156-I158 PolarHBondContact O-N 3.39Š|
| 159 | P | 84.9 | Confident | 71.6 | Confident | 106 Ų | 106 | 140.2 Ų | 140.2 | 69% | 0.688 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 137.4 | 178.2 | 28.1 | -33 | 0 | 0 | 0 | 110.8 | ||
| 160 | I | 84.8 | Confident | 70 | Confident | 169 Ų | 169 | 138 Ų | 138 | 87% | 0.867 | 76% | 0.762 | S | S | * | * | trans | -87.8 | 113.7 | 175.1 | -58.4 | 173.1 | 0 | 0 | 0 | 108.1 | ||||
| 161 | T | 84.1 | Confident | 69.3 | Low | 120 Ų | 120 | 136.2 Ų | 136.2 | 74% | 0.736 | 77% | 0.765 | S | S | * | * | trans | -90.3 | 121.9 | 171.6 | 46.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 162 | H | 79.1 | Confident | 68.7 | Low | 155 Ų | 155 | 141.2 Ų | 141.2 | 72% | 0.718 | 78% | 0.78 | S | S | * | * | trans | -83.5 | 112.8 | 173 | -172.3 | -102.8 | 0 | 0 | 0 | 109.2 | E164 | H162-E164 VanDerWaalsContact ND1-CG 3.33Å; H162-E164 WeakPolarHBondContact ND1-CG 3.41Å; H162-E164 PolarHBondContact O-N 3.09Å | ||
| 163 | E | 75.3 | Confident | 68.2 | Low | 180 Ų | 180 | 145.9 Ų | 145.9 | 84% | 0.841 | 79% | 0.786 | S | S | * | * | trans | -79.3 | 97 | 171.6 | -69.9 | -169.9 | 177.6 | 0 | 0 | 109.4 | K165 | E163-K165 PolarHBondContact O-N 2.98Å; E163-K165 VanDerWaalsContact O-N 3.08Å | ||
| 164 | E | 75.9 | Confident | 67.6 | Low | 163 Ų | 163 | 152.3 Ų | 152.3 | 76% | 0.762 | 81% | 0.808 | S | S | * | * | trans | -72.4 | 100.1 | 165.9 | -71.1 | -167.6 | 168.4 | 0 | 0 | 109.3 | H162 P166 | H162-E164 VanDerWaalsContact ND1-CG 3.33Å; H162-E164 WeakPolarHBondContact ND1-CG 3.41Å; H162-E164 PolarHBondContact O-N 3.09Å; E164-P166 WeakPolarHBondContact O-CD 3.27Å | ||
| 165 | K | 71.7 | Confident | 67.8 | Low | 189 Ų | 189 | 154.1 Ų | 154.1 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | trans | -61.6 | 120.1 | 163.7 | -172.4 | 174.7 | -175.3 | 175.2 | 0 | 107.4 | E163 A167 | E163-K165 PolarHBondContact O-N 2.98Å; E163-K165 VanDerWaalsContact O-N 3.08Å; K165-A167 PolarHBondContact O-N 2.77Å | ||
| 166 | P | 60.9 | Low | 67.7 | Low | 116 Ų | 116 | 152.5 Ų | 152.5 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | trans | -64.3 | 114.3 | -174.5 | 23.9 | -31 | 0 | 0 | 0 | 109.1 | E164 I168 | E164-P166 WeakPolarHBondContact O-CD 3.27Å; P166-I168 PolarHBondContact O-N 3.45Å | ||
| 167 | A | 58.7 | Low | 67.1 | Low | 96 Ų | 96 | 148.9 Ų | 148.9 | 79% | 0.793 | 81% | 0.808 | S | S | * | * | trans | -63.9 | 122.2 | 167.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | K165 A169 | K165-A167 PolarHBondContact O-N 2.77Å; A167-A169 PolarHBondContact O-N 2.99Å | ||
| 168 | I | 60.8 | Low | 66.4 | Low | 165 Ų | 165 | 150.7 Ų | 150.7 | 85% | 0.846 | 81% | 0.812 | S | S | * | * | trans | -45.5 | 114.5 | -178.6 | -63.5 | 157.8 | 0 | 0 | 0 | 109 | P166 G170 | P166-I168 PolarHBondContact O-N 3.45Å; I168-G170 VanDerWaalsContact C-N 3.32Å; I168-G170 PolarHBondContact O-N 3.16Å | ||
| 169 | A | 56 | Low | 65.2 | Low | 94 Ų | 94 | 151.8 Ų | 151.8 | 78% | 0.777 | 82% | 0.82 | S | S | * | * | trans | -64.5 | 95.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | A167 A171 | A167-A169 PolarHBondContact O-N 2.99Å; A169-A171 PolarHBondContact O-N 2.84Å | ||
| 170 | G | 50 | Low | 63.9 | Low | 77 Ų | 77 | 154.8 Ų | 154.8 | 79% | 0.794 | 83% | 0.829 | S | S | * | * | trans | -68.3 | 82.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110 | I168 | I168-G170 VanDerWaalsContact C-N 3.32Å; I168-G170 PolarHBondContact O-N 3.16Å | ||
| 171 | A | 55 | Low | 62.4 | Low | 87 Ų | 87 | 153.8 Ų | 153.8 | 72% | 0.719 | 83% | 0.826 | S | S | * | * | trans | -75.2 | 124.7 | 157.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | A169 | A169-A171 PolarHBondContact O-N 2.84Š| ||
| 172 | Q | 49.3 | Very low | 60.7 | Low | 182 Ų | 182 | 156.4 Ų | 156.4 | 85% | 0.85 | 83% | 0.833 | S | S | * | * | -168.9 | 113.7 | 118.4 | -73.8 | -139.6 | -30.2 | 0 | 0 | 109.1 | |||||
| 173 | R | 48.7 | Very low | 59.2 | Low | 254 Ų | 254 | 156.5 Ų | 156.5 | 96% | 0.958 | 84% | 0.843 | S | S | * | * | trans | -83.2 | 131.2 | 157.1 | -86.1 | 179.5 | 172 | 164.4 | -3 | 107.8 | ||||
| 174 | K | 47.7 | Very low | 57.7 | Low | 275 Ų | 275 | 154.4 Ų | 154.4 | 100% | 1.196 | 84% | 0.843 | S | S | * | * | trans | -134.1 | 0 | 152.6 | -98.4 | -171 | 175.9 | -177.5 | 0 | 108.1 |
Retrieved 174 of 174 residues in 136.1 ms
(Link to these results)