| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 45.1 | Very low | 39.1 | Very low | 247 Ų | 247 | 146.2 Ų | 146.2 | 100% | 1.217 | 84% | 0.837 | S | S | * | * | 0 | 101.9 | 0 | -78.7 | -179 | 151.5 | 0 | 0 | 106 | |||||
| 2 | S | 35.5 | Very low | 38.9 | Very low | 104 Ų | 104 | 141.6 Ų | 141.6 | 73% | 0.727 | 82% | 0.82 | S | S | * | * | trans | -118.3 | 127 | -149.2 | -42.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 3 | N | 45.7 | Very low | 38.6 | Very low | 165 Ų | 165 | 140.1 Ų | 140.1 | 88% | 0.882 | 82% | 0.823 | S | S | * | * | trans | -132 | 105.4 | 158.5 | -84.3 | -18.1 | 0 | 0 | 0 | 107.2 | ||||
| 4 | M | 40.2 | Very low | 38.6 | Very low | 181 Ų | 181 | 145.5 Ų | 145.5 | 89% | 0.892 | 82% | 0.824 | S | S | * | * | trans | -75.9 | 121.5 | 177 | -76.2 | 178 | 165.7 | 0 | 0 | 109.3 | ||||
| 5 | T | 42.2 | Very low | 38.5 | Very low | 141 Ų | 141 | 150.9 Ų | 150.9 | 87% | 0.865 | 83% | 0.827 | S | S | * | * | trans | -89.6 | 100.5 | 169.5 | -48.2 | 0 | 0 | 0 | 0 | 108 | S7 | T5-S7 PolarHBondContact O-N 2.95Š| ||
| 6 | T | 40.7 | Very low | 38.1 | Very low | 115 Ų | 115 | 154.3 Ų | 154.3 | 71% | 0.706 | 83% | 0.83 | S | S | * | * | trans | -87.2 | 102.3 | 177.2 | -30 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 7 | S | 38.2 | Very low | 37.8 | Very low | 105 Ų | 105 | 151.5 Ų | 151.5 | 73% | 0.734 | 82% | 0.82 | S | S | * | * | trans | -78.7 | 112.9 | 167.6 | 53.2 | 0 | 0 | 0 | 0 | 109.4 | T5 S9 | T5-S7 PolarHBondContact O-N 2.95Å; S7-S9 PolarHBondContact O-N 2.81Å | ||
| 8 | Y | 40.6 | Very low | 37.6 | Very low | 216 Ų | 216 | 150.7 Ų | 150.7 | 85% | 0.847 | 82% | 0.821 | S | S | * | * | trans | -76.1 | 104.5 | 168.2 | -101.8 | -96.6 | 0 | 0 | 0 | 109.3 | ||||
| 9 | S | 32.9 | Very low | 37.4 | Very low | 107 Ų | 107 | 148.7 Ų | 148.7 | 75% | 0.748 | 82% | 0.815 | S | S | * | * | trans | -94.5 | 95.4 | 164.2 | 67.7 | 0 | 0 | 0 | 0 | 109 | S7 S11 | S7-S9 PolarHBondContact O-N 2.81Å; S9-S11 PolarHBondContact O-N 3.14Å | ||
| 10 | S | 37.8 | Very low | 37.2 | Very low | 108 Ų | 108 | 147.1 Ų | 147.1 | 76% | 0.755 | 81% | 0.81 | S | S | * | * | trans | -91 | 90.9 | 169.9 | 39 | 0 | 0 | 0 | 0 | 109.6 | S12 | S10-S12 PolarHBondContact O-N 2.92Š| ||
| 11 | S | 31.6 | Very low | 37.5 | Very low | 119 Ų | 119 | 146.3 Ų | 146.3 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | trans | -73.9 | 96.9 | 165.5 | -66.7 | 0 | 0 | 0 | 0 | 109 | S9 | S9-S11 PolarHBondContact O-N 3.14Š| ||
| 12 | S | 36.9 | Very low | 37.3 | Very low | 91 Ų | 91 | 142.5 Ų | 142.5 | 64% | 0.636 | 79% | 0.788 | S | S | * | * | trans | -93.9 | 103.6 | 168.4 | -155 | 0 | 0 | 0 | 0 | 109.1 | S10 Y14 | S10-S12 PolarHBondContact O-N 2.92Å; S12-Y14 PolarHBondContact O-N 2.73Å; S12-Y14 VanDerWaalsContact O-N 3.15Å | ||
| 13 | S | 34.4 | Very low | 37.4 | Very low | 122 Ų | 122 | 146 Ų | 146 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | trans | -68.2 | 101.7 | 170.9 | -83.7 | 0 | 0 | 0 | 0 | 109.7 | R15 | S13-R15 PolarHBondContact O-N 2.83Š| ||
| 14 | Y | 38.1 | Very low | 37.3 | Very low | 216 Ų | 216 | 144.6 Ų | 144.6 | 85% | 0.847 | 79% | 0.79 | S | S | * | * | trans | -73 | 113.4 | 167 | -80.2 | -86.3 | 0 | 0 | 0 | 109.9 | S12 K16 | S12-Y14 PolarHBondContact O-N 2.73Å; S12-Y14 VanDerWaalsContact O-N 3.15Å; Y14-K16 PolarHBondContact O-N 3.38Å | ||
| 15 | R | 37.6 | Very low | 37.4 | Very low | 227 Ų | 227 | 146.3 Ų | 146.3 | 86% | 0.857 | 79% | 0.788 | S | S | * | * | trans | -71.6 | 115.5 | 167.8 | -159.4 | 179.1 | -161.4 | 179.8 | 4.3 | 107.5 | S13 T17 | S13-R15 PolarHBondContact O-N 2.83Å; R15-T17 PolarHBondContact O-N 3.25Å | ||
| 16 | K | 32 | Very low | 37.3 | Very low | 204 Ų | 204 | 145.2 Ų | 145.2 | 89% | 0.887 | 79% | 0.786 | S | S | * | * | trans | -60.7 | 105 | 169.4 | -83.8 | 179.3 | 173.1 | -179.4 | 0 | 108.8 | Y14 | Y14-K16 PolarHBondContact O-N 3.38Š| ||
| 17 | T | 33.7 | Very low | 37.3 | Very low | 107 Ų | 107 | 143.1 Ų | 143.1 | 66% | 0.656 | 79% | 0.787 | S | S | * | * | trans | -98.2 | 108.9 | 162.8 | 50.1 | 0 | 0 | 0 | 0 | 107.9 | R15 T19 | R15-T17 PolarHBondContact O-N 3.25Å; T17-T19 PolarHBondContact O-N 3.1Å; T17-T19 VanDerWaalsContact O-N 3.14Å | ||
| 18 | T | 33.9 | Very low | 37.5 | Very low | 137 Ų | 137 | 148.8 Ų | 148.8 | 84% | 0.84 | 79% | 0.794 | S | S | * | * | trans | -71.8 | 96.3 | 167.1 | -42 | 0 | 0 | 0 | 0 | 107 | ||||
| 19 | T | 34.3 | Very low | 37.4 | Very low | 113 Ų | 113 | 150 Ų | 150 | 69% | 0.693 | 80% | 0.797 | S | S | * | * | trans | -91.7 | 108.2 | 175.3 | -59.3 | 0 | 0 | 0 | 0 | 108.4 | T17 T21 | T17-T19 PolarHBondContact O-N 3.1Å; T17-T19 VanDerWaalsContact O-N 3.14Å; T19-T21 PolarHBondContact O-N 3.42Å; T19-T21 VanDerWaalsContact O-N 3.16Å | ||
| 20 | T | 33.1 | Very low | 37.7 | Very low | 117 Ų | 117 | 155.5 Ų | 155.5 | 72% | 0.718 | 81% | 0.808 | S | S | * | * | trans | -61.9 | 108 | 169.1 | -48.3 | 0 | 0 | 0 | 0 | 108.9 | H22 | T20-H22 HydrophobicContact CG2-CB 4.27Å; T20-H22 PolarHBondContact O-N 2.62Å; T20-H22 VanDerWaalsContact O-N 3.11Å | ||
| 21 | T | 42.1 | Very low | 37.9 | Very low | 131 Ų | 131 | 153.3 Ų | 153.3 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | -73.7 | 88.6 | 172 | 46.8 | 0 | 0 | 0 | 0 | 109.1 | T19 | T19-T21 PolarHBondContact O-N 3.42Å; T19-T21 VanDerWaalsContact O-N 3.16Å | ||
| 22 | H | 40.9 | Very low | 38.2 | Very low | 166 Ų | 166 | 153.3 Ų | 153.3 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | trans | -138.9 | 0.6 | 177.2 | -124.5 | -68.4 | 0 | 0 | 0 | 117.2 | T20 | T20-H22 HydrophobicContact CG2-CB 4.27Å; T20-H22 PolarHBondContact O-N 2.62Å; T20-H22 VanDerWaalsContact O-N 3.11Å | ||
| 23 | E | 39.2 | Very low | 38.7 | Very low | 178 Ų | 178 | 157 Ų | 157 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -131.3 | 3.5 | -165.1 | -65.8 | -168.6 | 158.8 | 0 | 0 | 117.9 | ||
| 24 | V | 42.3 | Very low | 39.4 | Very low | 135 Ų | 135 | 156.7 Ų | 156.7 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -90.7 | -9.5 | -171.7 | -171.7 | 0 | 0 | 0 | 0 | 114.8 | ||
| 25 | Y | 43.1 | Very low | 40.2 | Very low | 218 Ų | 218 | 151 Ų | 151 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -120.6 | 9.8 | -174.2 | -79.5 | -84.6 | 0 | 0 | 0 | 117.2 | G27 | Y25-G27 VanDerWaalsContact C-N 3.28Å; Y25-G27 PolarHBondContact O-N 3.26Å; Y25-G27 VanDerWaalsContact O-N 3.16Å |
| 26 | S | 40 | Very low | 41.3 | Very low | 118 Ų | 118 | 146.2 Ų | 146.2 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | 7.9 | -175.1 | -178 | 0 | 0 | 0 | 0 | 116.1 | ||
| 27 | G | 40.4 | Very low | 42.6 | Very low | 70 Ų | 70 | 141.2 Ų | 141.2 | 72% | 0.722 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | -9.2 | -162.1 | 0 | 0 | 0 | 0 | 0 | 118.6 | Y25 R29 | Y25-G27 VanDerWaalsContact C-N 3.28Å; Y25-G27 PolarHBondContact O-N 3.26Å; Y25-G27 VanDerWaalsContact O-N 3.16Å; G27-R29 PolarHBondContact O-N 2.9Å |
| 28 | Y | 41.9 | Very low | 44.3 | Very low | 224 Ų | 224 | 146.4 Ų | 146.4 | 88% | 0.878 | 77% | 0.769 | S | S | * | * | trans | -86.9 | 118.3 | -172.3 | -82.8 | -89 | 0 | 0 | 0 | 112.8 | K30 | Y28-K30 PolarHBondContact O-N 3.36Š| ||
| 29 | R | 40 | Very low | 46.1 | Very low | 241 Ų | 241 | 142.6 Ų | 142.6 | 91% | 0.909 | 76% | 0.756 | S | S | * | * | trans | -44.8 | 130.6 | 177.4 | -71 | -175.4 | -177 | -175.9 | 1.7 | 112.3 | G27 G31 | G27-R29 PolarHBondContact O-N 2.9Å; R29-G31 PolarHBondContact O-N 3.03Å | ||
| 30 | K | 39.4 | Very low | 47.9 | Very low | 224 Ų | 224 | 142.5 Ų | 142.5 | 97% | 0.974 | 75% | 0.746 | S | S | * | * | trans | -53 | 93.8 | 161.8 | -86.2 | 176.8 | 172.4 | 172.8 | 0 | 110.1 | Y28 | Y28-K30 PolarHBondContact O-N 3.36Š| ||
| 31 | G | 40.4 | Very low | 49.8 | Very low | 61 Ų | 61 | 139.9 Ų | 139.9 | 63% | 0.629 | 73% | 0.728 | S | S | * | * | trans | -143.5 | 70.6 | 178 | 0 | 0 | 0 | 0 | 0 | 110.3 | R29 M33 | R29-G31 PolarHBondContact O-N 3.03Å; G31-M33 PolarHBondContact O-N 3.08Å | ||
| 32 | S | 37.7 | Very low | 51 | Low | 120 Ų | 120 | 138 Ų | 138 | 84% | 0.839 | 71% | 0.713 | S | S | * | * | S | Bend | trans | 28.9 | 75.9 | 148.7 | -172.9 | 0 | 0 | 0 | 0 | 118.2 | ||
| 33 | M | 47.8 | Very low | 52.5 | Low | 167 Ų | 167 | 133.3 Ų | 133.3 | 82% | 0.823 | 70% | 0.699 | S | S | * | * | trans | -150.7 | 106 | 143.7 | -80.6 | -61.7 | -85.7 | 0 | 0 | 106.1 | G31 T35 | G31-M33 PolarHBondContact O-N 3.08Å; M33-T35 VanDerWaalsContact C-N 3.35Å; M33-T35 PolarHBondContact O-N 3.14Å | ||
| 34 | T | 49.5 | Very low | 54 | Low | 117 Ų | 117 | 129.6 Ų | 129.6 | 72% | 0.718 | 68% | 0.681 | S | S | * | * | trans | -73.3 | 92 | 175.2 | 50.1 | 0 | 0 | 0 | 0 | 108.2 | K36 | T34-K36 PolarHBondContact O-N 3.46Š| ||
| 35 | T | 55.3 | Low | 55.3 | Low | 95 Ų | 95 | 127.1 Ų | 127.1 | 58% | 0.583 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 120.2 | 168.4 | 43 | 0 | 0 | 0 | 0 | 107.2 | M33 L42 | M33-T35 VanDerWaalsContact C-N 3.35Å; M33-T35 PolarHBondContact O-N 3.14Å; T35-L42 WeakPolarHBondContact O-CD1 3.4Å |
| 36 | K | 59.3 | Low | 56.6 | Low | 128 Ų | 128 | 124.5 Ų | 124.5 | 56% | 0.557 | 65% | 0.654 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -97.4 | 126.2 | 173.5 | -66.3 | -165.5 | 173.9 | -162.4 | 0 | 108.3 | T34 K40 D41 | T34-K36 PolarHBondContact O-N 3.46Å; K36-K40 WeakPolarHBondContact CA-O 3.47Å; K36-D41 WeakPolarHBondContact CE-OD1 3.4Å |
| 37 | L | 59.7 | Low | 58.2 | Low | 98 Ų | 98 | 126.1 Ų | 126.1 | 51% | 0.513 | 65% | 0.653 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.6 | 124.1 | 170.3 | -159.6 | 71.4 | 0 | 0 | 0 | 107.1 | G39 K40 L42 Y45 | L37-G39 PolarHBondContact O-N 3.4Å; L37-K40 PolarHBondContact N-O 3.32Å; L37-K40 VanDerWaalsContact N-O 3.17Å; L37-K40 PolarHBondContact O-N 3.19Å; L37-K40 VanDerWaalsContact O-N 3.1Å; L37-L42 HydrophobicContact CB-CD1 4.39Å; L37-Y45 HydrophobicContact CB-CE2 4.2Å; L37-Y45 PolarHBondContact O-OH 3.32Å |
| 38 | Y | 69.3 | Low | 59.7 | Low | 217 Ų | 217 | 126 Ų | 126 | 85% | 0.851 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 49.2 | 31.4 | -173.7 | -70 | -83.7 | 0 | 0 | 0 | 115.7 | K40 | Y38-K40 VanDerWaalsContact C-N 3.31Å; Y38-K40 PolarHBondContact O-N 3.23Å |
| 39 | G | 72.6 | Confident | 61.4 | Low | 56 Ų | 56 | 120 Ų | 120 | 58% | 0.577 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 82.5 | 0.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | L37 | L37-G39 PolarHBondContact O-N 3.4Š|
| 40 | K | 70.9 | Confident | 63.3 | Low | 111 Ų | 111 | 114.2 Ų | 114.2 | 48% | 0.483 | 60% | 0.604 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.5 | 152.3 | 174.1 | -70.1 | 176.4 | 168.2 | -167.2 | 0 | 111.2 | K36 L37 Y38 E44 Y45 | K36-K40 WeakPolarHBondContact CA-O 3.47Å; L37-K40 PolarHBondContact N-O 3.32Å; L37-K40 VanDerWaalsContact N-O 3.17Å; L37-K40 PolarHBondContact O-N 3.19Å; L37-K40 VanDerWaalsContact O-N 3.1Å; Y38-K40 VanDerWaalsContact C-N 3.31Å; Y38-K40 PolarHBondContact O-N 3.23Å; K40-E44 WeakPolarHBondContact CD-OE2 3.43Å; K40-E44 VanDerWaalsContact CG-OE2 3.31Å; K40-E44 WeakPolarHBondContact CG-OE2 3.24Å; K40-Y45 HydrophobicContact CB-CE2 3.72Å |
| 41 | D | 72.9 | Confident | 65 | Low | 62 Ų | 62 | 108.9 Ų | 108.9 | 33% | 0.332 | 59% | 0.586 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -72.3 | 141.5 | 175.9 | -72.6 | -27.5 | 0 | 0 | 0 | 109.8 | K36 S43 E44 | K36-D41 WeakPolarHBondContact CE-OD1 3.4Å; D41-S43 PolarHBondContact O-N 3.01Å; D41-E44 WeakPolarHBondContact O-CB 3.37Å; D41-E44 PolarHBondContact O-N 3.09Å |
| 42 | L | 69 | Low | 66.9 | Low | 92 Ų | 92 | 108.5 Ų | 108.5 | 48% | 0.482 | 57% | 0.574 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -53.5 | -31 | -174.9 | -102.7 | 81 | 0 | 0 | 0 | 113.6 | T35 L37 E44 Y45 E46 | T35-L42 WeakPolarHBondContact O-CD1 3.4Å; L37-L42 HydrophobicContact CB-CD1 4.39Å; L42-E44 PolarHBondContact O-N 3.31Å; L42-Y45 PolarHBondContact O-N 3.37Å; L42-E46 PolarHBondContact O-N 2.89Å |
| 43 | S | 72.3 | Confident | 68.8 | Low | 68 Ų | 68 | 106.5 Ų | 106.5 | 48% | 0.476 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -60.5 | -27.6 | 176.7 | 49.9 | 0 | 0 | 0 | 0 | 113.4 | D41 Y45 E46 | D41-S43 PolarHBondContact O-N 3.01Å; S43-Y45 PolarHBondContact O-N 2.96Å; S43-E46 PolarHBondContact O-N 3.28Å |
| 44 | E | 70.8 | Confident | 70.1 | Confident | 100 Ų | 100 | 101.8 Ų | 101.8 | 47% | 0.467 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -71.6 | -17.2 | 176 | -65.3 | -175.4 | -165.1 | 0 | 0 | 112.9 | K40 D41 L42 I48 | K40-E44 WeakPolarHBondContact CD-OE2 3.43Å; K40-E44 VanDerWaalsContact CG-OE2 3.31Å; K40-E44 WeakPolarHBondContact CG-OE2 3.24Å; D41-E44 WeakPolarHBondContact O-CB 3.37Å; D41-E44 PolarHBondContact O-N 3.09Å; L42-E44 PolarHBondContact O-N 3.31Å; E44-I48 WeakPolarHBondContact O-CG1 3.45Å |
| 45 | Y | 69.9 | Low | 71.6 | Confident | 82 Ų | 82 | 102 Ų | 102 | 32% | 0.322 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -93 | -18.8 | 177 | -63.5 | -84.2 | 0 | 0 | 0 | 112.9 | L37 K40 L42 S43 D47 I48 | L37-Y45 HydrophobicContact CB-CE2 4.2Å; L37-Y45 PolarHBondContact O-OH 3.32Å; K40-Y45 HydrophobicContact CB-CE2 3.72Å; L42-Y45 PolarHBondContact O-N 3.37Å; S43-Y45 PolarHBondContact O-N 2.96Å; Y45-D47 VanDerWaalsContact C-N 3.33Å; Y45-I48 HydrophobicContact CD1-CD1 3.76Å; Y45-I48 HydrophobicContact CE1-CD1 4.47Å; Y45-I48 HydrophobicContact CG-CD1 4.41Å |
| 46 | E | 69.6 | Low | 72.9 | Confident | 164 Ų | 164 | 105 Ų | 105 | 77% | 0.766 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -68.6 | -30.9 | 175.7 | -80.5 | -177.7 | 148.8 | 0 | 0 | 112.4 | L42 S43 | L42-E46 PolarHBondContact O-N 2.89Å; S43-E46 PolarHBondContact O-N 3.28Å |
| 47 | D | 72.6 | Confident | 73.7 | Confident | 151 Ų | 151 | 101.7 Ų | 101.7 | 81% | 0.807 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | 2.9 | -177.1 | -67.2 | -32.7 | 0 | 0 | 0 | 114 | Y45 D49 | Y45-D47 VanDerWaalsContact C-N 3.33Å; D47-D49 PolarHBondContact O-N 3.35Å |
| 48 | I | 73.4 | Confident | 74.9 | Confident | 67 Ų | 67 | 100.1 Ų | 100.1 | 34% | 0.344 | 52% | 0.52 | S | S | . | . | S | Bend | trans | -82.3 | 119.2 | -179.3 | -52.1 | 175.8 | 0 | 0 | 0 | 109.2 | E44 Y45 I50 L53 | E44-I48 WeakPolarHBondContact O-CG1 3.45Å; Y45-I48 HydrophobicContact CD1-CD1 3.76Å; Y45-I48 HydrophobicContact CE1-CD1 4.47Å; Y45-I48 HydrophobicContact CG-CD1 4.41Å; I48-I50 PolarHBondContact O-N 2.98Å; I48-L53 HydrophobicContact CB-CD1 4.07Å; I48-L53 HydrophobicContact CG2-CD1 3.47Å; I48-L53 VanDerWaalsContact CG2-CD1 3.47Å; I48-L53 HydrophobicContact CG2-CD2 4.06Å; I48-L53 HydrophobicContact CG2-CG 3.6Å |
| 49 | D | 78.1 | Confident | 75.5 | Confident | 99 Ų | 99 | 95.1 Ų | 95.1 | 53% | 0.529 | 51% | 0.514 | S | S | . | . | trans | -55.7 | 113.5 | 174.8 | -176.5 | 8.7 | 0 | 0 | 0 | 111 | D47 D51 S52 L53 | D47-D49 PolarHBondContact O-N 3.35Å; D49-D51 PolarHBondContact O-N 3.32Å; D49-D51 PolarHBondContact OD1-N 3.16Å; D49-S52 WeakPolarHBondContact O-CB 3.4Å; D49-S52 PolarHBondContact O-N 3.33Å; D49-S52 VanDerWaalsContact O-N 3.1Å; D49-L53 PolarHBondContact O-N 3.37Å; D49-L53 VanDerWaalsContact O-N 3.16Å | ||
| 50 | I | 78.3 | Confident | 75.7 | Confident | 120 Ų | 120 | 99.6 Ų | 99.6 | 62% | 0.615 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.1 | -39.4 | -175.4 | -59.4 | 170.6 | 0 | 0 | 0 | 109.9 | I48 S52 L53 L54 | I48-I50 PolarHBondContact O-N 2.98Å; I50-S52 VanDerWaalsContact C-N 3.29Å; I50-S52 PolarHBondContact O-N 2.89Å; I50-L53 WeakPolarHBondContact O-CB 3.32Å; I50-L53 PolarHBondContact O-N 3.49Å; I50-L53 VanDerWaalsContact O-N 3.16Å; I50-L54 HydrophobicContact CG2-CD1 3.94Å; I50-L54 HydrophobicContact CG2-CG 4.25Å; I50-L54 VanDerWaalsContact O-CG 3.31Å; I50-L54 WeakPolarHBondContact O-CG 3.39Å; I50-L54 PolarHBondContact O-N 3.37Å |
| 51 | D | 75.5 | Confident | 76.1 | Confident | 111 Ų | 111 | 98.5 Ų | 98.5 | 59% | 0.594 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -67.1 | -33.7 | -179.5 | -68.8 | -31.4 | 0 | 0 | 0 | 111.3 | D49 L54 T55 | D49-D51 PolarHBondContact O-N 3.32Å; D49-D51 PolarHBondContact OD1-N 3.16Å; D51-L54 PolarHBondContact O-N 3.14Å; D51-T55 WeakPolarHBondContact O-CB 3.4Å; D51-T55 PolarHBondContact O-N 3.05Å; D51-T55 PolarHBondContact O-OG1 3.22Å |
| 52 | S | 81.4 | Confident | 76.3 | Confident | 53 Ų | 53 | 98.8 Ų | 98.8 | 37% | 0.371 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -69.3 | -32.5 | 174.4 | -165.6 | 0 | 0 | 0 | 0 | 112.8 | D49 I50 K56 | D49-S52 WeakPolarHBondContact O-CB 3.4Å; D49-S52 PolarHBondContact O-N 3.33Å; D49-S52 VanDerWaalsContact O-N 3.1Å; I50-S52 VanDerWaalsContact C-N 3.29Å; I50-S52 PolarHBondContact O-N 2.89Å; S52-K56 WeakPolarHBondContact O-CG 3.5Å |
| 53 | L | 77.6 | Confident | 76.5 | Confident | 79 Ų | 79 | 99.9 Ų | 99.9 | 41% | 0.414 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -72.3 | -46.1 | 172.8 | -75.4 | 167.8 | 0 | 0 | 0 | 111.4 | I48 D49 I50 T55 K56 L57 | I48-L53 HydrophobicContact CB-CD1 4.07Å; I48-L53 HydrophobicContact CG2-CD1 3.47Å; I48-L53 VanDerWaalsContact CG2-CD1 3.47Å; I48-L53 HydrophobicContact CG2-CD2 4.06Å; I48-L53 HydrophobicContact CG2-CG 3.6Å; D49-L53 PolarHBondContact O-N 3.37Å; D49-L53 VanDerWaalsContact O-N 3.16Å; I50-L53 WeakPolarHBondContact O-CB 3.32Å; I50-L53 PolarHBondContact O-N 3.49Å; I50-L53 VanDerWaalsContact O-N 3.16Å; L53-T55 PolarHBondContact O-N 2.67Å; L53-K56 PolarHBondContact O-N 3.09Å; L53-L57 PolarHBondContact O-N 2.91Å |
| 54 | L | 74.9 | Confident | 76.6 | Confident | 67 Ų | 67 | 103.1 Ų | 103.1 | 35% | 0.351 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.8 | -33.2 | 178 | -69.7 | 172.9 | 0 | 0 | 0 | 112.2 | I50 D51 K56 L57 L62 | I50-L54 HydrophobicContact CG2-CD1 3.94Å; I50-L54 HydrophobicContact CG2-CG 4.25Å; I50-L54 VanDerWaalsContact O-CG 3.31Å; I50-L54 WeakPolarHBondContact O-CG 3.39Å; I50-L54 PolarHBondContact O-N 3.37Å; D51-L54 PolarHBondContact O-N 3.14Å; L54-K56 VanDerWaalsContact C-N 3.29Å; L54-K56 PolarHBondContact O-N 2.81Å; L54-L57 PolarHBondContact O-N 3.15Å; L54-L62 HydrophobicContact CD2-CD2 4.15Å |
| 55 | T | 79.9 | Confident | 76.9 | Confident | 123 Ų | 123 | 102.5 Ų | 102.5 | 76% | 0.755 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -21.5 | 177.4 | -48.7 | 0 | 0 | 0 | 0 | 113.1 | D51 L53 | D51-T55 WeakPolarHBondContact O-CB 3.4Å; D51-T55 PolarHBondContact O-N 3.05Å; D51-T55 PolarHBondContact O-OG1 3.22Å; L53-T55 PolarHBondContact O-N 2.67Å |
| 56 | K | 82.7 | Confident | 77 | Confident | 158 Ų | 158 | 104.2 Ų | 104.2 | 69% | 0.687 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -19.1 | 178.9 | -70.5 | 172.7 | -172.5 | 169.9 | 0 | 113.4 | S52 L53 L54 | S52-K56 WeakPolarHBondContact O-CG 3.5Å; L53-K56 PolarHBondContact O-N 3.09Å; L54-K56 VanDerWaalsContact C-N 3.29Å; L54-K56 PolarHBondContact O-N 2.81Å |
| 57 | L | 76.5 | Confident | 76.9 | Confident | 57 Ų | 57 | 99.9 Ų | 99.9 | 30% | 0.298 | 52% | 0.524 | S | S | . | . | S | Bend | trans | -76.1 | 137 | 178.4 | -83.3 | 143.7 | 0 | 0 | 0 | 110.5 | L53 L54 E61 L62 | L53-L57 PolarHBondContact O-N 2.91Å; L54-L57 PolarHBondContact O-N 3.15Å; L57-E61 HydrophobicContact CD2-CB 3.39Å; L57-E61 HydrophobicContact CD2-CG 4.27Å; L57-L62 HydrophobicContact CB-CD1 3.93Å; L57-L62 HydrophobicContact CB-CG 4.14Å |
| 58 | T | 85.2 | Confident | 76.7 | Confident | 66 Ų | 66 | 100.5 Ų | 100.5 | 41% | 0.405 | 52% | 0.522 | S | S | . | . | trans | -69.7 | 155.7 | 172.4 | 60.2 | 0 | 0 | 0 | 0 | 110.2 | E60 E61 L62 | T58-E60 PolarHBondContact O-N 3.26Å; T58-E60 VanDerWaalsContact O-N 3.14Å; T58-E61 WeakPolarHBondContact CB-OE2 2.97Å; T58-E61 PolarHBondContact N-OE2 3.08Å; T58-E61 PolarHBondContact O-N 2.69Å; T58-E61 VanDerWaalsContact O-N 3.13Å; T58-E61 VanDerWaalsContact OG1-CG 3.24Å; T58-E61 WeakPolarHBondContact OG1-CG 3.29Å; T58-E61 PolarHBondContact OG1-N 3.13Å; T58-E61 PolarHBondContact OG1-OE2 3.26Å; T58-L62 PolarHBondContact O-N 2.92Å | ||
| 59 | P | 80.7 | Confident | 76.4 | Confident | 111 Ų | 111 | 101 Ų | 101 | 72% | 0.721 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -58.7 | -26.9 | 179.2 | 22.9 | -34.2 | 0 | 0 | 0 | 113.4 | E63 | P59-E63 PolarHBondContact O-N 3.31Å |
| 60 | E | 77.6 | Confident | 75.5 | Confident | 150 Ų | 150 | 101.3 Ų | 101.3 | 70% | 0.701 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -71.5 | -44.5 | 175.5 | -67.2 | 179.6 | 174.8 | 0 | 0 | 111.7 | T58 L62 E63 E64 | T58-E60 PolarHBondContact O-N 3.26Å; T58-E60 VanDerWaalsContact O-N 3.14Å; E60-L62 VanDerWaalsContact C-N 3.32Å; E60-L62 PolarHBondContact O-N 2.92Å; E60-E63 WeakPolarHBondContact O-CB 3.5Å; E60-E63 PolarHBondContact O-N 3.18Å; E60-E63 VanDerWaalsContact O-N 3.12Å; E60-E64 PolarHBondContact O-N 3.07Å; E60-E64 VanDerWaalsContact O-N 3.07Å |
| 61 | E | 79.1 | Confident | 74.7 | Confident | 89 Ų | 89 | 99.7 Ų | 99.7 | 42% | 0.416 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -68.9 | -31.5 | 177.7 | -65.5 | 164.2 | 139.3 | 0 | 0 | 112.3 | L57 T58 E63 E64 L65 | L57-E61 HydrophobicContact CD2-CB 3.39Å; L57-E61 HydrophobicContact CD2-CG 4.27Å; T58-E61 WeakPolarHBondContact CB-OE2 2.97Å; T58-E61 PolarHBondContact N-OE2 3.08Å; T58-E61 PolarHBondContact O-N 2.69Å; T58-E61 VanDerWaalsContact O-N 3.13Å; T58-E61 VanDerWaalsContact OG1-CG 3.24Å; T58-E61 WeakPolarHBondContact OG1-CG 3.29Å; T58-E61 PolarHBondContact OG1-N 3.13Å; T58-E61 PolarHBondContact OG1-OE2 3.26Å; E61-E63 VanDerWaalsContact C-N 3.3Å; E61-E64 PolarHBondContact O-N 3.37Å; E61-L65 WeakPolarHBondContact O-CB 3.47Å; E61-L65 PolarHBondContact O-N 3.29Å |
| 62 | L | 77.3 | Confident | 74 | Confident | 68 Ų | 68 | 100.1 Ų | 100.1 | 36% | 0.356 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.2 | -35.9 | 170.3 | -95.1 | 136.6 | 0 | 0 | 0 | 112.1 | L54 L57 T58 E60 N66 | L54-L62 HydrophobicContact CD2-CD2 4.15Å; L57-L62 HydrophobicContact CB-CD1 3.93Å; L57-L62 HydrophobicContact CB-CG 4.14Å; T58-L62 PolarHBondContact O-N 2.92Å; E60-L62 VanDerWaalsContact C-N 3.32Å; E60-L62 PolarHBondContact O-N 2.92Å; L62-N66 WeakPolarHBondContact O-CB 3.38Å; L62-N66 PolarHBondContact O-N 3.27Å; L62-N66 VanDerWaalsContact O-N 3.12Å |
| 63 | E | 73 | Confident | 73.3 | Confident | 115 Ų | 115 | 100.1 Ų | 100.1 | 54% | 0.537 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -71.8 | -39.2 | 176.6 | -169.6 | 174.5 | -177.7 | 0 | 0 | 111.6 | P59 E60 E61 N66 N67 | P59-E63 PolarHBondContact O-N 3.31Å; E60-E63 WeakPolarHBondContact O-CB 3.5Å; E60-E63 PolarHBondContact O-N 3.18Å; E60-E63 VanDerWaalsContact O-N 3.12Å; E61-E63 VanDerWaalsContact C-N 3.3Å; E63-N66 PolarHBondContact O-N 2.95Å; E63-N67 PolarHBondContact O-N 3.36Å; E63-N67 PolarHBondContact O-ND2 2.83Å |
| 64 | E | 75.5 | Confident | 72.9 | Confident | 136 Ų | 136 | 101.1 Ų | 101.1 | 64% | 0.636 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -61.1 | -47.2 | 172.2 | -72.5 | -174.7 | 173.3 | 0 | 0 | 111.8 | E60 E61 N66 N67 E68 | E60-E64 PolarHBondContact O-N 3.07Å; E60-E64 VanDerWaalsContact O-N 3.07Å; E61-E64 PolarHBondContact O-N 3.37Å; E64-N66 VanDerWaalsContact C-N 3.27Å; E64-N66 PolarHBondContact O-N 3.25Å; E64-N67 WeakPolarHBondContact O-CB 3.45Å; E64-N67 PolarHBondContact O-N 2.82Å; E64-E68 PolarHBondContact O-N 2.8Å |
| 65 | L | 76 | Confident | 72.7 | Confident | 86 Ų | 86 | 105.5 Ų | 105.5 | 45% | 0.45 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -61.7 | -36.8 | 178.5 | -171.6 | 64.7 | 0 | 0 | 0 | 112.1 | E61 N67 E68 | E61-L65 WeakPolarHBondContact O-CB 3.47Å; E61-L65 PolarHBondContact O-N 3.29Å; L65-N67 VanDerWaalsContact C-N 3.26Å; L65-N67 PolarHBondContact O-N 3.01Å; L65-E68 PolarHBondContact O-N 3.4Å |
| 66 | N | 71.3 | Confident | 72 | Confident | 119 Ų | 119 | 102.8 Ų | 102.8 | 64% | 0.636 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -67.3 | -25.9 | 175.3 | -170.5 | 58.4 | 0 | 0 | 0 | 112.8 | L62 E63 E64 | L62-N66 WeakPolarHBondContact O-CB 3.38Å; L62-N66 PolarHBondContact O-N 3.27Å; L62-N66 VanDerWaalsContact O-N 3.12Å; E63-N66 PolarHBondContact O-N 2.95Å; E64-N66 VanDerWaalsContact C-N 3.27Å; E64-N66 PolarHBondContact O-N 3.25Å |
| 67 | N | 67.8 | Low | 71.3 | Confident | 73 Ų | 73 | 98.1 Ų | 98.1 | 39% | 0.39 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -77.5 | -19.8 | 175.9 | -69.1 | -49.2 | 0 | 0 | 0 | 113.3 | E63 E64 L65 R83 | E63-N67 PolarHBondContact O-N 3.36Å; E63-N67 PolarHBondContact O-ND2 2.83Å; E64-N67 WeakPolarHBondContact O-CB 3.45Å; E64-N67 PolarHBondContact O-N 2.82Å; L65-N67 VanDerWaalsContact C-N 3.26Å; L65-N67 PolarHBondContact O-N 3.01Å; N67-R83 PolarHBondContact OD1-NH1 3.39Å; N67-R83 PolarHBondContact OD1-NH2 3.49Å |
| 68 | E | 69.3 | Low | 70.9 | Confident | 164 Ų | 164 | 100.1 Ų | 100.1 | 77% | 0.766 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -87.5 | -8.1 | 178 | -67.4 | -171.2 | 168 | 0 | 0 | 113.5 | E64 L65 | E64-E68 PolarHBondContact O-N 2.8Å; L65-E68 PolarHBondContact O-N 3.4Å |
| 69 | V | 66 | Low | 70.1 | Confident | 76 Ų | 76 | 101.7 Ų | 101.7 | 46% | 0.461 | 56% | 0.558 | S | S | . | * | S | Bend | trans | -78.9 | 123.3 | 175.8 | -178.1 | 0 | 0 | 0 | 0 | 109.7 | ||
| 70 | D | 60.9 | Low | 69.4 | Low | 106 Ų | 106 | 102.2 Ų | 102.2 | 57% | 0.567 | 55% | 0.551 | S | S | * | * | trans | -49.5 | 123.5 | -173.6 | -156.2 | -21.8 | 0 | 0 | 0 | 112.5 | D72 N73 | D70-D72 PolarHBondContact O-N 3.31Å; D70-D72 PolarHBondContact OD1-N 3.39Å; D70-N73 WeakPolarHBondContact O-CB 3.47Å; D70-N73 PolarHBondContact O-N 2.86Å; D70-N73 VanDerWaalsContact O-N 3.07Å | ||
| 71 | P | 60.5 | Low | 69 | Low | 86 Ų | 86 | 98.8 Ų | 98.8 | 56% | 0.558 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -18.6 | 177.5 | 22.8 | -34.6 | 0 | 0 | 0 | 113.1 | N73 R81 | P71-N73 VanDerWaalsContact C-N 3.33Å; P71-N73 PolarHBondContact O-N 3.32Å; P71-R81 WeakPolarHBondContact O-CB 3.42Å |
| 72 | D | 61.4 | Low | 68.2 | Low | 121 Ų | 121 | 99.1 Ų | 99.1 | 65% | 0.647 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | 17.7 | 177.8 | -79.3 | -20.8 | 0 | 0 | 0 | 114.6 | D70 S74 | D70-D72 PolarHBondContact O-N 3.31Å; D70-D72 PolarHBondContact OD1-N 3.39Å; D72-S74 PolarHBondContact O-N 3.48Å |
| 73 | N | 66.2 | Low | 67.3 | Low | 52 Ų | 52 | 103.6 Ų | 103.6 | 28% | 0.278 | 56% | 0.555 | S | S | . | * | trans | -58.1 | 108.3 | 178.1 | -171 | -0.3 | 0 | 0 | 0 | 112.3 | D70 P71 L75 L76 R81 | D70-N73 WeakPolarHBondContact O-CB 3.47Å; D70-N73 PolarHBondContact O-N 2.86Å; D70-N73 VanDerWaalsContact O-N 3.07Å; P71-N73 VanDerWaalsContact C-N 3.33Å; P71-N73 PolarHBondContact O-N 3.32Å; N73-L75 PolarHBondContact O-N 2.88Å; N73-L75 VanDerWaalsContact O-N 3.12Å; N73-L75 WeakPolarHBondContact OD1-CB 3.3Å; N73-L75 PolarHBondContact OD1-N 2.92Å; N73-L76 PolarHBondContact O-N 2.94Å; N73-R81 PolarHBondContact O-NE 2.72Å | ||
| 74 | S | 69.1 | Low | 66.7 | Low | 100 Ų | 100 | 105.6 Ų | 105.6 | 70% | 0.699 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | -14.7 | -177.2 | -80.1 | 0 | 0 | 0 | 0 | 114.4 | D72 R81 | D72-S74 PolarHBondContact O-N 3.48Å; S74-R81 PolarHBondContact O-NH2 3.28Å |
| 75 | L | 71 | Confident | 65.9 | Low | 159 Ų | 159 | 107.1 Ų | 107.1 | 83% | 0.832 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -16.8 | 178.1 | -68.6 | 163.3 | 0 | 0 | 0 | 113.5 | N73 | N73-L75 PolarHBondContact O-N 2.88Å; N73-L75 VanDerWaalsContact O-N 3.12Å; N73-L75 WeakPolarHBondContact OD1-CB 3.3Å; N73-L75 PolarHBondContact OD1-N 2.92Å |
| 76 | L | 65.1 | Low | 65.3 | Low | 66 Ų | 66 | 107.9 Ų | 107.9 | 35% | 0.346 | 59% | 0.585 | S | S | . | * | S | Bend | trans | -95.6 | 141.7 | 176.1 | -67.3 | 174.6 | 0 | 0 | 0 | 110.7 | N73 Q80 R81 | N73-L76 PolarHBondContact O-N 2.94Å; L76-Q80 HydrophobicContact CB-CB 4.5Å; L76-R81 HydrophobicContact CB-CG 4.28Å; L76-R81 VanDerWaalsContact O-CZ 3.3Å; L76-R81 PolarHBondContact O-NE 2.81Å; L76-R81 PolarHBondContact O-NH2 3Å |
| 77 | P | 66.9 | Low | 65.1 | Low | 60 Ų | 60 | 109.1 Ų | 109.1 | 39% | 0.39 | 60% | 0.597 | S | S | . | * | trans | -63 | 150 | 173.8 | 25.8 | -32.4 | 0 | 0 | 0 | 110.6 | S79 Q80 R81 | P77-S79 PolarHBondContact O-N 3.21Å; P77-Q80 HydrophobicContact CG-CB 4.22Å; P77-Q80 HydrophobicContact CG-CG 4.06Å; P77-Q80 PolarHBondContact O-N 2.88Å; P77-R81 PolarHBondContact O-N 2.7Å | ||
| 78 | P | 69 | Low | 65.3 | Low | 100 Ų | 100 | 112.8 Ų | 112.8 | 65% | 0.649 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -53.4 | -31.1 | -173.2 | -28.8 | 35.2 | 0 | 0 | 0 | 115 | Q80 R81 | P78-Q80 PolarHBondContact O-N 3.4Å; P78-R81 PolarHBondContact O-N 3.25Å |
| 79 | S | 67.6 | Low | 65.4 | Low | 98 Ų | 98 | 113.8 Ų | 113.8 | 69% | 0.685 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -69.6 | -17.9 | 178 | 60.9 | 0 | 0 | 0 | 0 | 114.5 | P77 | P77-S79 PolarHBondContact O-N 3.21Å |
| 80 | Q | 66 | Low | 65.6 | Low | 123 Ų | 123 | 116.6 Ų | 116.6 | 58% | 0.575 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -107.1 | -4.1 | 179.9 | -67.9 | 177.7 | -6.4 | 0 | 0 | 112.7 | L76 P77 P78 | L76-Q80 HydrophobicContact CB-CB 4.5Å; P77-Q80 HydrophobicContact CG-CB 4.22Å; P77-Q80 HydrophobicContact CG-CG 4.06Å; P77-Q80 PolarHBondContact O-N 2.88Å; P78-Q80 PolarHBondContact O-N 3.4Å |
| 81 | R | 70.2 | Confident | 65.9 | Low | 77 Ų | 77 | 117.8 Ų | 117.8 | 29% | 0.291 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -76.1 | -30 | 174.3 | -69.1 | -174.9 | -163.7 | -158.3 | 0.5 | 112 | P71 N73 S74 L76 P77 P78 | P71-R81 WeakPolarHBondContact O-CB 3.42Å; N73-R81 PolarHBondContact O-NE 2.72Å; S74-R81 PolarHBondContact O-NH2 3.28Å; L76-R81 HydrophobicContact CB-CG 4.28Å; L76-R81 VanDerWaalsContact O-CZ 3.3Å; L76-R81 PolarHBondContact O-NE 2.81Å; L76-R81 PolarHBondContact O-NH2 3Å; P77-R81 PolarHBondContact O-N 2.7Å; P78-R81 PolarHBondContact O-N 3.25Å |
| 82 | C | 62.5 | Low | 66.5 | Low | 96 Ų | 96 | 116.7 Ų | 116.7 | 65% | 0.649 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -87 | 130.8 | 175.3 | -61.8 | 0 | 0 | 0 | 0 | 110.1 | D84 | C82-D84 PolarHBondContact O-N 3.05Š|
| 83 | R | 58.7 | Low | 67.3 | Low | 163 Ų | 163 | 116.7 Ų | 116.7 | 62% | 0.615 | 65% | 0.654 | S | S | * | * | trans | -56.2 | 125.4 | 173.1 | -172.8 | 174.1 | 178.9 | 156.2 | 3.4 | 110.4 | N67 Q85 | N67-R83 PolarHBondContact OD1-NH1 3.39Å; N67-R83 PolarHBondContact OD1-NH2 3.49Å; R83-Q85 VanDerWaalsContact C-N 3.32Å; R83-Q85 HydrophobicContact CB-CG 4.19Å; R83-Q85 HydrophobicContact CG-CG 4.22Å; R83-Q85 VanDerWaalsContact O-CG 3.3Å; R83-Q85 WeakPolarHBondContact O-CG 3.31Å; R83-Q85 PolarHBondContact O-N 3.49Å | ||
| 84 | D | 60 | Low | 68.1 | Low | 156 Ų | 156 | 121.8 Ų | 121.8 | 83% | 0.834 | 67% | 0.673 | S | S | * | * | trans | -66.4 | 93.8 | 162.5 | -83.5 | -25.8 | 0 | 0 | 0 | 107.8 | C82 T86 | C82-D84 PolarHBondContact O-N 3.05Å; D84-T86 PolarHBondContact O-N 3.3Å | ||
| 85 | Q | 59.2 | Low | 68.7 | Low | 168 Ų | 168 | 119.7 Ų | 119.7 | 79% | 0.785 | 66% | 0.659 | S | S | * | * | trans | -75.5 | 14.3 | -168.3 | -60.7 | -162.4 | 0.2 | 0 | 0 | 114.8 | R83 | R83-Q85 VanDerWaalsContact C-N 3.32Å; R83-Q85 HydrophobicContact CB-CG 4.19Å; R83-Q85 HydrophobicContact CG-CG 4.22Å; R83-Q85 VanDerWaalsContact O-CG 3.3Å; R83-Q85 WeakPolarHBondContact O-CG 3.31Å; R83-Q85 PolarHBondContact O-N 3.49Å | ||
| 86 | T | 63.4 | Low | 69.4 | Low | 102 Ų | 102 | 120.6 Ų | 120.6 | 63% | 0.626 | 65% | 0.651 | S | S | * | * | trans | -141 | 124.7 | -174.9 | 74.1 | 0 | 0 | 0 | 0 | 113.7 | D84 K88 | D84-T86 PolarHBondContact O-N 3.3Å; T86-K88 PolarHBondContact O-N 2.91Å | ||
| 87 | T | 66.7 | Low | 70.6 | Confident | 145 Ų | 145 | 124.6 Ų | 124.6 | 89% | 0.89 | 67% | 0.668 | S | S | * | * | trans | -79.1 | 3.6 | 166.9 | 52.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 88 | K | 70.8 | Confident | 71.5 | Confident | 151 Ų | 151 | 128.5 Ų | 128.5 | 66% | 0.657 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -82.1 | 132.7 | -176 | -62.7 | -178.4 | -178.5 | 179.1 | 0 | 109.8 | T86 | T86-K88 PolarHBondContact O-N 2.91Š|
| 89 | K | 72.1 | Confident | 72.4 | Confident | 184 Ų | 184 | 127.3 Ų | 127.3 | 80% | 0.8 | 67% | 0.669 | S | S | * | * | trans | -59.2 | 144.7 | 171 | -67.9 | -178.4 | -179.5 | 177.3 | 0 | 109.8 | T91 | K89-T91 PolarHBondContact O-N 3.39Å; K89-T91 PolarHBondContact O-OG1 3.42Å | ||
| 90 | P | 70.3 | Confident | 73.4 | Confident | 135 Ų | 135 | 126.5 Ų | 126.5 | 88% | 0.877 | 66% | 0.656 | S | S | * | * | trans | -55.8 | 115.1 | -178.8 | 19.4 | -30.2 | 0 | 0 | 0 | 110.1 | ||||
| 91 | T | 66.6 | Low | 74.6 | Confident | 131 Ų | 131 | 127.2 Ų | 127.2 | 80% | 0.804 | 66% | 0.657 | S | S | * | * | trans | -102.3 | 88.2 | -174.6 | -54.5 | 0 | 0 | 0 | 0 | 108.9 | K89 | K89-T91 PolarHBondContact O-N 3.39Å; K89-T91 PolarHBondContact O-OG1 3.42Å | ||
| 92 | G | 73.6 | Confident | 75.6 | Confident | 64 Ų | 64 | 128.4 Ų | 128.4 | 66% | 0.66 | 67% | 0.665 | S | S | * | * | S | Bend | trans | 57.6 | -177.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 93 | P | 79.3 | Confident | 76.9 | Confident | 121 Ų | 121 | 127.9 Ų | 127.9 | 79% | 0.786 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -69.6 | 141.1 | 173.2 | 27.1 | -31.5 | 0 | 0 | 0 | 111.5 | S95 | P93-S95 PolarHBondContact O-N 2.91Š|
| 94 | F | 81 | Confident | 78.5 | Confident | 158 Ų | 158 | 126 Ų | 126 | 69% | 0.693 | 65% | 0.654 | S | S | * | * | trans | -57.8 | 120.5 | -178.3 | 173.7 | -102.7 | 0 | 0 | 0 | 112.5 | R96 L99 | F94-R96 HydrophobicContact CE1-CB 3.99Å; F94-R96 HydrophobicContact CZ-CB 4.24Å; F94-L99 HydrophobicContact CE2-CB 4.41Å; F94-L99 HydrophobicContact CE2-CD2 3.72Å; F94-L99 HydrophobicContact CZ-CD2 4.08Å | ||
| 95 | S | 82.4 | Confident | 80.1 | Confident | 56 Ų | 56 | 124.3 Ų | 124.3 | 39% | 0.392 | 64% | 0.641 | S | S | . | * | trans | -114.4 | 102.3 | 174.6 | -64.7 | 0 | 0 | 0 | 0 | 110.4 | P93 E97 Q98 L99 | P93-S95 PolarHBondContact O-N 2.91Å; S95-E97 VanDerWaalsContact C-N 3.27Å; S95-E97 PolarHBondContact O-N 2.83Å; S95-Q98 PolarHBondContact O-N 3.45Å; S95-Q98 VanDerWaalsContact O-N 3.1Å; S95-L99 PolarHBondContact O-N 2.96Å | ||
| 96 | R | 86.8 | Confident | 81.7 | Confident | 179 Ų | 179 | 121.4 Ų | 121.4 | 68% | 0.675 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -51.4 | -41.7 | -176.2 | -178.3 | -179.4 | 177.4 | 116.6 | 0.2 | 113.4 | F94 Q98 L99 L100 | F94-R96 HydrophobicContact CE1-CB 3.99Å; F94-R96 HydrophobicContact CZ-CB 4.24Å; R96-Q98 PolarHBondContact O-N 2.95Å; R96-L99 PolarHBondContact O-N 2.97Å; R96-L100 HydrophobicContact CG-CD1 4.11Å; R96-L100 HydrophobicContact CG-CG 4.48Å; R96-L100 WeakPolarHBondContact O-CG 3.2Å; R96-L100 PolarHBondContact O-N 3.12Å |
| 97 | E | 89.3 | Confident | 82.8 | Confident | 149 Ų | 149 | 120 Ų | 120 | 70% | 0.696 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -64.6 | -38 | -178.4 | -62.9 | -178.5 | -177.5 | 0 | 0 | 112.9 | S95 L100 K101 | S95-E97 VanDerWaalsContact C-N 3.27Å; S95-E97 PolarHBondContact O-N 2.83Å; E97-L100 PolarHBondContact O-N 3.11Å; E97-K101 WeakPolarHBondContact O-CG 3.16Å; E97-K101 PolarHBondContact O-N 2.98Å; E97-K101 VanDerWaalsContact O-N 3.11Å |
| 98 | Q | 86.8 | Confident | 83.9 | Confident | 143 Ų | 143 | 119.8 Ų | 119.8 | 67% | 0.668 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -69.6 | -38.7 | 177 | -67.4 | -179 | -0.7 | 0 | 0 | 111 | S95 R96 K101 F102 | S95-Q98 PolarHBondContact O-N 3.45Å; S95-Q98 VanDerWaalsContact O-N 3.1Å; R96-Q98 PolarHBondContact O-N 2.95Å; Q98-K101 PolarHBondContact O-N 3.24Å; Q98-F102 WeakPolarHBondContact O-CB 3.49Å; Q98-F102 PolarHBondContact O-N 2.84Å |
| 99 | L | 86.2 | Confident | 84.9 | Confident | 75 Ų | 75 | 118.1 Ų | 118.1 | 39% | 0.393 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -62.1 | -45.6 | 174.3 | 176.5 | 63.3 | 0 | 0 | 0 | 111.1 | F94 S95 R96 K101 F102 L103 | F94-L99 HydrophobicContact CE2-CB 4.41Å; F94-L99 HydrophobicContact CE2-CD2 3.72Å; F94-L99 HydrophobicContact CZ-CD2 4.08Å; S95-L99 PolarHBondContact O-N 2.96Å; R96-L99 PolarHBondContact O-N 2.97Å; L99-K101 PolarHBondContact O-N 3.35Å; L99-F102 PolarHBondContact O-N 3.32Å; L99-L103 HydrophobicContact CD1-CD1 4.03Å; L99-L103 HydrophobicContact CD1-CG 4Å; L99-L103 HydrophobicContact CD2-CD1 4.46Å; L99-L103 HydrophobicContact CG-CD1 3.91Å; L99-L103 HydrophobicContact CG-CG 4.31Å; L99-L103 VanDerWaalsContact O-CG 3.3Å; L99-L103 WeakPolarHBondContact O-CG 3.23Å; L99-L103 PolarHBondContact O-N 2.75Å |
| 100 | L | 89.1 | Confident | 85.6 | Confident | 80 Ų | 80 | 115.1 Ų | 115.1 | 42% | 0.419 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -60 | -47.8 | 179 | -72.2 | 170.8 | 0 | 0 | 0 | 111.5 | R96 E97 F102 L103 E104 | R96-L100 HydrophobicContact CG-CD1 4.11Å; R96-L100 HydrophobicContact CG-CG 4.48Å; R96-L100 WeakPolarHBondContact O-CG 3.2Å; R96-L100 PolarHBondContact O-N 3.12Å; E97-L100 PolarHBondContact O-N 3.11Å; L100-F102 VanDerWaalsContact C-N 3.34Å; L100-F102 PolarHBondContact O-N 3.13Å; L100-L103 PolarHBondContact O-N 3Å; L100-E104 WeakPolarHBondContact O-CG 3.36Å; L100-E104 PolarHBondContact O-N 3.35Å |
| 101 | K | 91.4 | Very high | 86.2 | Confident | 138 Ų | 138 | 118 Ų | 118 | 60% | 0.6 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -59.8 | -42.1 | 175.8 | -72.9 | 178 | -179.2 | 175.9 | 0 | 112.7 | E97 Q98 L99 E104 E105 | E97-K101 WeakPolarHBondContact O-CG 3.16Å; E97-K101 PolarHBondContact O-N 2.98Å; E97-K101 VanDerWaalsContact O-N 3.11Å; Q98-K101 PolarHBondContact O-N 3.24Å; L99-K101 PolarHBondContact O-N 3.35Å; K101-E104 PolarHBondContact O-N 3.47Å; K101-E105 WeakPolarHBondContact O-CB 3.39Å; K101-E105 PolarHBondContact O-N 3.27Å |
| 102 | F | 90.6 | Very high | 86.9 | Confident | 102 Ų | 102 | 119.4 Ų | 119.4 | 45% | 0.447 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -63.7 | -40.3 | 176.3 | 172.1 | -98.5 | 0 | 0 | 0 | 112.1 | Q98 L99 L100 K106 | Q98-F102 WeakPolarHBondContact O-CB 3.49Å; Q98-F102 PolarHBondContact O-N 2.84Å; L99-F102 PolarHBondContact O-N 3.32Å; L100-F102 VanDerWaalsContact C-N 3.34Å; L100-F102 PolarHBondContact O-N 3.13Å; F102-K106 HydrophobicContact CE1-CD 4.3Å; F102-K106 HydrophobicContact CZ-CD 4.33Å; F102-K106 VanDerWaalsContact O-CB 3.23Å; F102-K106 WeakPolarHBondContact O-CB 3.5Å; F102-K106 PolarHBondContact O-N 2.72Å |
| 103 | L | 90.9 | Very high | 87.1 | Confident | 86 Ų | 86 | 126.8 Ų | 126.8 | 45% | 0.45 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -68.8 | -38.9 | 177.8 | -70.7 | 173.3 | 0 | 0 | 0 | 111.9 | L99 L100 K106 A107 | L99-L103 HydrophobicContact CD1-CD1 4.03Å; L99-L103 HydrophobicContact CD1-CG 4Å; L99-L103 HydrophobicContact CD2-CD1 4.46Å; L99-L103 HydrophobicContact CG-CD1 3.91Å; L99-L103 HydrophobicContact CG-CG 4.31Å; L99-L103 VanDerWaalsContact O-CG 3.3Å; L99-L103 WeakPolarHBondContact O-CG 3.23Å; L99-L103 PolarHBondContact O-N 2.75Å; L100-L103 PolarHBondContact O-N 3Å; L103-K106 PolarHBondContact O-N 3.49Å; L103-A107 WeakPolarHBondContact O-CB 3.44Å; L103-A107 PolarHBondContact O-N 3.16Å |
| 104 | E | 92.1 | Very high | 87 | Confident | 123 Ų | 123 | 130.1 Ų | 130.1 | 58% | 0.575 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -61.4 | -49.3 | 172.8 | -73 | 169.9 | -176.2 | 0 | 0 | 111.1 | L100 K101 K106 A107 I108 | L100-E104 WeakPolarHBondContact O-CG 3.36Å; L100-E104 PolarHBondContact O-N 3.35Å; K101-E104 PolarHBondContact O-N 3.47Å; E104-K106 VanDerWaalsContact C-N 3.35Å; E104-K106 PolarHBondContact O-N 3.35Å; E104-A107 PolarHBondContact O-N 2.99Å; E104-I108 WeakPolarHBondContact O-CD1 3.36Å; E104-I108 VanDerWaalsContact O-CG1 3.26Å; E104-I108 WeakPolarHBondContact O-CG1 3.12Å; E104-I108 PolarHBondContact O-N 2.81Å |
| 105 | E | 93.3 | Very high | 86.7 | Confident | 120 Ų | 120 | 127.6 Ų | 127.6 | 56% | 0.561 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -63.6 | -40 | 178.4 | -172.4 | 178 | -176.2 | 0 | 0 | 112.1 | K101 I108 N109 | K101-E105 WeakPolarHBondContact O-CB 3.39Å; K101-E105 PolarHBondContact O-N 3.27Å; E105-I108 PolarHBondContact O-N 3.05Å; E105-N109 WeakPolarHBondContact O-CB 3.46Å; E105-N109 PolarHBondContact O-N 3.14Å; E105-N109 VanDerWaalsContact O-N 3.1Å; E105-N109 PolarHBondContact O-ND2 3.04Å |
| 106 | K | 92.1 | Very high | 86.2 | Confident | 107 Ų | 107 | 137.1 Ų | 137.1 | 47% | 0.465 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -65.1 | -44.5 | 174.9 | -170.4 | -179 | 178.5 | -168.4 | 0 | 111.2 | F102 L103 E104 I108 N109 E110 | F102-K106 HydrophobicContact CE1-CD 4.3Å; F102-K106 HydrophobicContact CZ-CD 4.33Å; F102-K106 VanDerWaalsContact O-CB 3.23Å; F102-K106 WeakPolarHBondContact O-CB 3.5Å; F102-K106 PolarHBondContact O-N 2.72Å; L103-K106 PolarHBondContact O-N 3.49Å; E104-K106 VanDerWaalsContact C-N 3.35Å; E104-K106 PolarHBondContact O-N 3.35Å; K106-I108 VanDerWaalsContact C-N 3.28Å; K106-I108 PolarHBondContact O-N 3.34Å; K106-N109 PolarHBondContact O-N 2.87Å; K106-E110 WeakPolarHBondContact CE-OE2 3.33Å; K106-E110 WeakPolarHBondContact O-CB 3.45Å; K106-E110 PolarHBondContact O-N 2.99Å |
| 107 | A | 87.5 | Confident | 85.6 | Confident | 74 Ų | 74 | 132.2 Ų | 132.2 | 61% | 0.612 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -63.9 | -32.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L103 E104 | L103-A107 WeakPolarHBondContact O-CB 3.44Å; L103-A107 PolarHBondContact O-N 3.16Å; E104-A107 PolarHBondContact O-N 2.99Å |
| 108 | I | 90.1 | Very high | 84.8 | Confident | 140 Ų | 140 | 129.5 Ų | 129.5 | 72% | 0.718 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -72.6 | -36.1 | 175.2 | -67.9 | 163.5 | 0 | 0 | 0 | 111.7 | E104 E105 K106 | E104-I108 WeakPolarHBondContact O-CD1 3.36Å; E104-I108 VanDerWaalsContact O-CG1 3.26Å; E104-I108 WeakPolarHBondContact O-CG1 3.12Å; E104-I108 PolarHBondContact O-N 2.81Å; E105-I108 PolarHBondContact O-N 3.05Å; K106-I108 VanDerWaalsContact C-N 3.28Å; K106-I108 PolarHBondContact O-N 3.34Å |
| 109 | N | 91.1 | Very high | 84 | Confident | 116 Ų | 116 | 130.7 Ų | 130.7 | 62% | 0.62 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -87.9 | -25.9 | -175.7 | -74.8 | -31.5 | 0 | 0 | 0 | 114 | E105 K106 K111 | E105-N109 WeakPolarHBondContact O-CB 3.46Å; E105-N109 PolarHBondContact O-N 3.14Å; E105-N109 VanDerWaalsContact O-N 3.1Å; E105-N109 PolarHBondContact O-ND2 3.04Å; K106-N109 PolarHBondContact O-N 2.87Å; N109-K111 PolarHBondContact O-N 3.02Å |
| 110 | E | 87 | Confident | 83.5 | Confident | 120 Ų | 120 | 132.4 Ų | 132.4 | 56% | 0.561 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -66.5 | 120.6 | 175.1 | -161.3 | 89 | -136.5 | 0 | 0 | 108.4 | K106 | K106-E110 WeakPolarHBondContact CE-OE2 3.33Å; K106-E110 WeakPolarHBondContact O-CB 3.45Å; K106-E110 PolarHBondContact O-N 2.99Å |
| 111 | K | 83.7 | Confident | 82.9 | Confident | 197 Ų | 197 | 134 Ų | 134 | 86% | 0.857 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 138 | 177.9 | -66.7 | 177.4 | -179.6 | 176.2 | 0 | 109.2 | N109 W113 | N109-K111 PolarHBondContact O-N 3.02Å; K111-W113 PolarHBondContact O-N 2.82Å |
| 112 | D | 80.1 | Confident | 82.1 | Confident | 159 Ų | 159 | 131 Ų | 131 | 85% | 0.85 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 136.4 | 170.1 | -73.4 | -22 | 0 | 0 | 0 | 109.9 | ||
| 113 | W | 78 | Confident | 81.2 | Confident | 220 Ų | 220 | 129.7 Ų | 129.7 | 83% | 0.833 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 145.1 | 174.6 | 49.5 | 60.7 | 0 | 0 | 0 | 110.1 | K111 E115 | K111-W113 PolarHBondContact O-N 2.82Å; W113-E115 PolarHBondContact O-N 3.29Å; W113-E115 VanDerWaalsContact O-N 3.14Å |
| 114 | E | 78.1 | Confident | 80.1 | Confident | 191 Ų | 191 | 134.4 Ų | 134.4 | 89% | 0.893 | 67% | 0.667 | S | S | * | * | trans | -70.5 | 111.3 | 172.8 | -68.9 | -179.2 | -179 | 0 | 0 | 109.3 | R116 | E114-R116 PolarHBondContact O-N 2.78Š| ||
| 115 | E | 73.6 | Confident | 78.5 | Confident | 104 Ų | 104 | 136.2 Ų | 136.2 | 49% | 0.486 | 67% | 0.668 | S | S | . | * | trans | -62.2 | 124.5 | 170.7 | -69.3 | -176 | 167.6 | 0 | 0 | 109.4 | W113 V117 Y119 | W113-E115 PolarHBondContact O-N 3.29Å; W113-E115 VanDerWaalsContact O-N 3.14Å; E115-V117 PolarHBondContact O-N 2.87Å; E115-Y119 PolarHBondContact OE2-N 2.88Å | ||
| 116 | R | 72.6 | Confident | 77.3 | Confident | 256 Ų | 256 | 133.4 Ų | 133.4 | 97% | 0.966 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -53.6 | -21.7 | 174.3 | -96.3 | -171.1 | -176.4 | -127.4 | 3 | 113.3 | E114 | E114-R116 PolarHBondContact O-N 2.78Š|
| 117 | V | 74.7 | Confident | 76.3 | Confident | 76 Ų | 76 | 138.4 Ų | 138.4 | 46% | 0.461 | 69% | 0.694 | S | S | . | * | S | Bend | trans | -140.7 | 106.8 | 178.1 | 179.4 | 0 | 0 | 0 | 0 | 107.4 | E115 Y119 | E115-V117 PolarHBondContact O-N 2.87Å; V117-Y119 PolarHBondContact O-N 3.09Å |
| 118 | P | 71.5 | Confident | 75.2 | Confident | 92 Ų | 92 | 140.3 Ų | 140.3 | 60% | 0.597 | 70% | 0.697 | S | S | * | * | trans | -57.3 | 128.3 | -177.5 | -24.9 | 33 | 0 | 0 | 0 | 112 | E120 | P118-E120 PolarHBondContact O-N 3.33Š| ||
| 119 | Y | 70.3 | Confident | 73.5 | Confident | 169 Ų | 169 | 144.2 Ų | 144.2 | 66% | 0.663 | 70% | 0.703 | S | S | * | * | trans | -61.5 | 121.5 | 169.8 | 175.8 | -96.9 | 0 | 0 | 0 | 111.3 | E115 V117 P121 | E115-Y119 PolarHBondContact OE2-N 2.88Å; V117-Y119 PolarHBondContact O-N 3.09Å; Y119-P121 HydrophobicContact CE1-CB 3.89Å; Y119-P121 HydrophobicContact CE1-CG 4.47Å | ||
| 120 | E | 75.1 | Confident | 71.6 | Confident | 111 Ų | 111 | 144.2 Ų | 144.2 | 52% | 0.519 | 71% | 0.707 | S | S | . | * | trans | -106.6 | 116.6 | 169.1 | -71.6 | -177.9 | 172.2 | 0 | 0 | 108.9 | P118 G122 V123 | P118-E120 PolarHBondContact O-N 3.33Å; E120-G122 PolarHBondContact O-N 3.14Å; E120-G122 VanDerWaalsContact O-N 3.1Å; E120-V123 HydrophobicContact CB-CB 4.39Å; E120-V123 HydrophobicContact CB-CG2 3.87Å; E120-V123 PolarHBondContact O-N 3.28Å; E120-V123 VanDerWaalsContact O-N 3.13Å | ||
| 121 | P | 77.8 | Confident | 69.4 | Low | 113 Ų | 113 | 143.2 Ų | 143.2 | 73% | 0.734 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.1 | 118 | 179.2 | 20.4 | -29.1 | 0 | 0 | 0 | 110.4 | Y119 | Y119-P121 HydrophobicContact CE1-CB 3.89Å; Y119-P121 HydrophobicContact CE1-CG 4.47Å |
| 122 | G | 73.5 | Confident | 67.9 | Low | 76 Ų | 76 | 141.9 Ų | 141.9 | 78% | 0.784 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 111 | -14 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | E120 K124 | E120-G122 PolarHBondContact O-N 3.14Å; E120-G122 VanDerWaalsContact O-N 3.1Å; G122-K124 PolarHBondContact O-N 3.16Å |
| 123 | V | 72.5 | Confident | 66.3 | Low | 73 Ų | 73 | 140.5 Ų | 140.5 | 44% | 0.442 | 71% | 0.707 | S | S | . | * | trans | -94 | 97.7 | 178.9 | -174.1 | 0 | 0 | 0 | 0 | 110.4 | E120 R125 | E120-V123 HydrophobicContact CB-CB 4.39Å; E120-V123 HydrophobicContact CB-CG2 3.87Å; E120-V123 PolarHBondContact O-N 3.28Å; E120-V123 VanDerWaalsContact O-N 3.13Å; V123-R125 HydrophobicContact CG1-CG 3.78Å; V123-R125 PolarHBondContact O-N 2.98Å; V123-R125 VanDerWaalsContact O-N 3.1Å | ||
| 124 | K | 67.5 | Low | 65.1 | Low | 185 Ų | 185 | 138.1 Ų | 138.1 | 80% | 0.804 | 70% | 0.703 | S | S | * | * | trans | -72.8 | 97.3 | 167.3 | -72.3 | -174.6 | 179.9 | -178.9 | 0 | 109.2 | G122 G126 | G122-K124 PolarHBondContact O-N 3.16Å; K124-G126 PolarHBondContact O-N 3.09Å | ||
| 125 | R | 58.7 | Low | 63.5 | Low | 161 Ų | 161 | 137.3 Ų | 137.3 | 61% | 0.608 | 70% | 0.699 | S | S | * | * | trans | -80.7 | 109.6 | 173.7 | -60.3 | -172.8 | -170.4 | -145.7 | 7.9 | 109.2 | V123 | V123-R125 HydrophobicContact CG1-CG 3.78Å; V123-R125 PolarHBondContact O-N 2.98Å; V123-R125 VanDerWaalsContact O-N 3.1Å | ||
| 126 | G | 68.5 | Low | 62.2 | Low | 62 Ų | 62 | 137.6 Ų | 137.6 | 64% | 0.639 | 71% | 0.708 | S | S | * | * | S | Bend | trans | 138.2 | 144.8 | -179 | 0 | 0 | 0 | 0 | 0 | 111 | K124 V128 | K124-G126 PolarHBondContact O-N 3.09Å; G126-V128 PolarHBondContact O-N 2.94Å |
| 127 | K | 70.5 | Confident | 60.6 | Low | 212 Ų | 212 | 131.4 Ų | 131.4 | 92% | 0.922 | 70% | 0.698 | S | S | * | * | trans | -63 | 127.2 | 169.3 | -69.1 | -176.8 | -179.9 | -179 | 0 | 107.4 | W129 | K127-W129 PolarHBondContact O-N 2.96Š| ||
| 128 | V | 63.7 | Low | 58.7 | Low | 113 Ų | 113 | 133.2 Ų | 133.2 | 69% | 0.685 | 71% | 0.709 | S | S | * | * | trans | -55.7 | 117.7 | 166.8 | 176.8 | 0 | 0 | 0 | 0 | 105.9 | G126 T130 | G126-V128 PolarHBondContact O-N 2.94Å; V128-T130 PolarHBondContact O-N 2.8Å | ||
| 129 | W | 54.4 | Low | 57.2 | Low | 223 Ų | 223 | 134.4 Ų | 134.4 | 85% | 0.845 | 72% | 0.717 | S | S | * | * | trans | -62.8 | 106.2 | 178.4 | -176.6 | -80.7 | 0 | 0 | 0 | 108.3 | K127 | K127-W129 PolarHBondContact O-N 2.96Š| ||
| 130 | T | 51.3 | Low | 55.3 | Low | 115 Ų | 115 | 132.5 Ų | 132.5 | 71% | 0.706 | 72% | 0.724 | S | S | * | * | trans | -88 | 118 | 162.6 | 40 | 0 | 0 | 0 | 0 | 107 | V128 E132 | V128-T130 PolarHBondContact O-N 2.8Å; T130-E132 PolarHBondContact O-N 2.91Å; T130-E132 VanDerWaalsContact O-N 3.16Å | ||
| 131 | C | 40.5 | Very low | 53.6 | Low | 100 Ų | 100 | 134.4 Ų | 134.4 | 68% | 0.676 | 74% | 0.737 | S | S | * | * | trans | -56.6 | 120.9 | 166.6 | -87.4 | 0 | 0 | 0 | 0 | 108.3 | T133 | C131-T133 PolarHBondContact O-N 3.42Š| ||
| 132 | E | 54 | Low | 51.8 | Low | 168 Ų | 168 | 137.3 Ų | 137.3 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | trans | -68.2 | 100.5 | 168.3 | -71.8 | 178.2 | 175 | 0 | 0 | 108 | T130 K134 | T130-E132 PolarHBondContact O-N 2.91Å; T130-E132 VanDerWaalsContact O-N 3.16Å; E132-K134 VanDerWaalsContact C-N 3.3Å; E132-K134 PolarHBondContact O-N 3.12Å | ||
| 133 | T | 45.2 | Very low | 50.1 | Low | 131 Ų | 131 | 139.3 Ų | 139.3 | 80% | 0.804 | 74% | 0.738 | S | S | * | * | trans | -63.4 | 96 | 163.7 | -32.2 | 0 | 0 | 0 | 0 | 106.7 | C131 E135 | C131-T133 PolarHBondContact O-N 3.42Å; T133-E135 PolarHBondContact O-N 3.28Å | ||
| 134 | K | 52.9 | Low | 48.2 | Very low | 170 Ų | 170 | 143.8 Ų | 143.8 | 74% | 0.739 | 75% | 0.751 | S | S | * | * | trans | -67 | 105.4 | 166.9 | -72.5 | -178.9 | 179.3 | 176.3 | 0 | 106.4 | E132 V136 | E132-K134 VanDerWaalsContact C-N 3.3Å; E132-K134 PolarHBondContact O-N 3.12Å; K134-V136 VanDerWaalsContact C-N 3.28Å; K134-V136 PolarHBondContact O-N 3.11Å | ||
| 135 | E | 45.4 | Very low | 46.7 | Very low | 173 Ų | 173 | 142.4 Ų | 142.4 | 81% | 0.808 | 75% | 0.753 | S | S | * | * | trans | -57.1 | 97.7 | 163.1 | -68 | -175.3 | 176 | 0 | 0 | 107.5 | T133 T137 | T133-E135 PolarHBondContact O-N 3.28Å; E135-T137 VanDerWaalsContact C-N 3.28Å; E135-T137 PolarHBondContact O-N 3.47Å | ||
| 136 | V | 44.8 | Very low | 45.6 | Very low | 111 Ų | 111 | 138.8 Ų | 138.8 | 67% | 0.673 | 77% | 0.766 | S | S | * | * | trans | -75.9 | 90.8 | 167.1 | 178.9 | 0 | 0 | 0 | 0 | 105.7 | K134 T138 | K134-V136 VanDerWaalsContact C-N 3.28Å; K134-V136 PolarHBondContact O-N 3.11Å; V136-T138 HydrophobicContact CG1-CG2 3.84Å; V136-T138 PolarHBondContact O-N 3.06Å | ||
| 137 | T | 40.6 | Very low | 44.2 | Very low | 125 Ų | 125 | 141 Ų | 141 | 77% | 0.767 | 77% | 0.771 | S | S | * | * | trans | -66.4 | 86.4 | 155.6 | 37.6 | 0 | 0 | 0 | 0 | 107.6 | E135 P139 | E135-T137 VanDerWaalsContact C-N 3.28Å; E135-T137 PolarHBondContact O-N 3.47Å; T137-P139 WeakPolarHBondContact O-CD 3.28Å | ||
| 138 | T | 34.1 | Very low | 42.6 | Very low | 114 Ų | 114 | 140.1 Ų | 140.1 | 70% | 0.699 | 77% | 0.768 | S | S | * | * | trans | -74.8 | 117.4 | 162.9 | 17.8 | 0 | 0 | 0 | 0 | 108.4 | V136 T140 | V136-T138 HydrophobicContact CG1-CG2 3.84Å; V136-T138 PolarHBondContact O-N 3.06Å; T138-T140 PolarHBondContact O-N 2.8Å | ||
| 139 | P | 40 | Very low | 41.6 | Very low | 117 Ų | 117 | 139.1 Ų | 139.1 | 76% | 0.76 | 77% | 0.771 | S | S | * | * | trans | -65.1 | 129.6 | 169.4 | 26.5 | -30.4 | 0 | 0 | 0 | 109.2 | T137 N141 | T137-P139 WeakPolarHBondContact O-CD 3.28Å; P139-N141 PolarHBondContact O-N 3.39Å | ||
| 140 | T | 29.6 | Very low | 41.1 | Very low | 130 Ų | 130 | 134.1 Ų | 134.1 | 80% | 0.798 | 76% | 0.755 | S | S | * | * | trans | -47.1 | 115.1 | 166.8 | 44.1 | 0 | 0 | 0 | 0 | 111 | T138 | T138-T140 PolarHBondContact O-N 2.8Š| ||
| 141 | N | 40.5 | Very low | 40.8 | Very low | 150 Ų | 150 | 132.4 Ų | 132.4 | 80% | 0.802 | 75% | 0.748 | S | S | * | * | trans | -163.7 | 91.5 | 144.4 | -91.3 | -22.3 | 0 | 0 | 0 | 108.2 | P139 | P139-N141 PolarHBondContact O-N 3.39Š| ||
| 142 | E | 39 | Very low | 41.5 | Very low | 175 Ų | 175 | 133.1 Ų | 133.1 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | 40.1 | 115.5 | 125 | -72.5 | -169.3 | -173.9 | 0 | 0 | 118.9 | |||||
| 143 | V | 38 | Very low | 41.6 | Very low | 118 Ų | 118 | 131.7 Ų | 131.7 | 72% | 0.715 | 74% | 0.743 | S | S | * | * | trans | 96.7 | 123.1 | 140.2 | -127.5 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 144 | K | 33.6 | Very low | 42.2 | Very low | 167 Ų | 167 | 132.3 Ų | 132.3 | 73% | 0.726 | 74% | 0.741 | S | S | * | * | trans | 80.7 | 80.9 | 151.7 | -48.3 | -174.1 | -175 | 168.7 | 0 | 116.8 | ||||
| 145 | D | 34.8 | Very low | 42.3 | Very low | 156 Ų | 156 | 126.2 Ų | 126.2 | 83% | 0.834 | 72% | 0.716 | S | S | * | * | -167.3 | 149 | 111.7 | -94.9 | -24.9 | 0 | 0 | 0 | 108.2 | S147 | D145-S147 PolarHBondContact O-N 3.27Š| |||
| 146 | G | 36.1 | Very low | 42.8 | Very low | 85 Ų | 85 | 122.2 Ų | 122.2 | 88% | 0.876 | 70% | 0.698 | S | S | * | * | trans | -66.8 | 41.9 | -164 | 0 | 0 | 0 | 0 | 0 | 117.2 | F148 | G146-F148 PolarHBondContact O-N 2.74Š| ||
| 147 | S | 38.2 | Very low | 43.6 | Very low | 108 Ų | 108 | 119.3 Ų | 119.3 | 76% | 0.755 | 69% | 0.69 | S | S | * | * | trans | -73.6 | 83.2 | 164.8 | 59.9 | 0 | 0 | 0 | 0 | 109.4 | D145 A149 | D145-S147 PolarHBondContact O-N 3.27Å; S147-A149 PolarHBondContact O-N 3.02Å | ||
| 148 | F | 36.9 | Very low | 44.8 | Very low | 194 Ų | 194 | 118.4 Ų | 118.4 | 85% | 0.851 | 68% | 0.68 | S | S | * | * | trans | -67.2 | 85.6 | 161.1 | -129.9 | -90.8 | 0 | 0 | 0 | 107 | G146 F150 | G146-F148 PolarHBondContact O-N 2.74Å; F148-F150 PolarHBondContact O-N 3.22Å | ||
| 149 | A | 43.2 | Very low | 46.4 | Very low | 91 Ų | 91 | 115 Ų | 115 | 75% | 0.752 | 66% | 0.659 | S | S | * | * | trans | -69.4 | 86.7 | 166.8 | 0 | 0 | 0 | 0 | 0 | 107 | S147 S151 | S147-A149 PolarHBondContact O-N 3.02Å; A149-S151 PolarHBondContact O-N 3.48Å | ||
| 150 | F | 45.1 | Very low | 47.7 | Very low | 118 Ų | 118 | 112.6 Ų | 112.6 | 52% | 0.518 | 64% | 0.64 | S | S | . | * | trans | -69.9 | 108.7 | 169.2 | -160.4 | -116.3 | 0 | 0 | 0 | 106.7 | F148 L152 L155 | F148-F150 PolarHBondContact O-N 3.22Å; F150-L152 PolarHBondContact O-N 3.47Å; F150-L155 HydrophobicContact CD1-CD1 3.9Å; F150-L155 HydrophobicContact CE1-CB 3.95Å; F150-L155 HydrophobicContact CE1-CD1 3.11Å; F150-L155 HydrophobicContact CE1-CD2 3.52Å; F150-L155 HydrophobicContact CE1-CG 3.63Å; F150-L155 HydrophobicContact CE2-CD1 3.8Å; F150-L155 HydrophobicContact CZ-CB 4.49Å; F150-L155 HydrophobicContact CZ-CD1 3.06Å; F150-L155 HydrophobicContact CZ-CD2 3.31Å; F150-L155 HydrophobicContact CZ-CG 3.68Å | ||
| 151 | S | 45.1 | Very low | 49.7 | Very low | 80 Ų | 80 | 111.2 Ų | 111.2 | 56% | 0.559 | 63% | 0.626 | S | S | * | * | trans | -59.5 | 106 | 172.1 | -68.1 | 0 | 0 | 0 | 0 | 107.9 | A149 D153 D154 | A149-S151 PolarHBondContact O-N 3.48Å; S151-D153 PolarHBondContact O-N 2.91Å; S151-D154 PolarHBondContact O-N 3.47Å | ||
| 152 | L | 55 | Low | 51.2 | Low | 115 Ų | 115 | 106.9 Ų | 106.9 | 60% | 0.602 | 61% | 0.612 | S | S | * | * | G | 310 helix | trans | -61.6 | -23.9 | -177 | -168.3 | 63.8 | 0 | 0 | 0 | 111.9 | F150 D154 L155 E156 V159 | F150-L152 PolarHBondContact O-N 3.47Å; L152-D154 VanDerWaalsContact C-N 3.33Å; L152-D154 PolarHBondContact O-N 2.98Å; L152-L155 PolarHBondContact O-N 3.46Å; L152-E156 PolarHBondContact O-N 3.17Å; L152-V159 HydrophobicContact CD1-CG2 4.35Å |
| 153 | D | 56.1 | Low | 53.1 | Low | 138 Ų | 138 | 102 Ų | 102 | 74% | 0.738 | 59% | 0.591 | S | S | * | * | G | 310 helix | trans | -65.8 | -28.8 | -175.2 | -66 | -15 | 0 | 0 | 0 | 113.9 | S151 | S151-D153 PolarHBondContact O-N 2.91Š|
| 154 | D | 56.3 | Low | 54.9 | Low | 144 Ų | 144 | 100.1 Ų | 100.1 | 77% | 0.77 | 58% | 0.583 | S | S | * | * | G | 310 helix | trans | -86.8 | -11.7 | -178.6 | -72.6 | -36.8 | 0 | 0 | 0 | 113.2 | S151 L152 | S151-D154 PolarHBondContact O-N 3.47Å; L152-D154 VanDerWaalsContact C-N 3.33Å; L152-D154 PolarHBondContact O-N 2.98Å |
| 155 | L | 55.6 | Low | 57.1 | Low | 41 Ų | 41 | 98.6 Ų | 98.6 | 22% | 0.215 | 58% | 0.583 | C | S | . | * | trans | -115.9 | 12.5 | -176.8 | -76 | 101 | 0 | 0 | 0 | 114.4 | F150 L152 G157 D158 V159 | F150-L155 HydrophobicContact CD1-CD1 3.9Å; F150-L155 HydrophobicContact CE1-CB 3.95Å; F150-L155 HydrophobicContact CE1-CD1 3.11Å; F150-L155 HydrophobicContact CE1-CD2 3.52Å; F150-L155 HydrophobicContact CE1-CG 3.63Å; F150-L155 HydrophobicContact CE2-CD1 3.8Å; F150-L155 HydrophobicContact CZ-CB 4.49Å; F150-L155 HydrophobicContact CZ-CD1 3.06Å; F150-L155 HydrophobicContact CZ-CD2 3.31Å; F150-L155 HydrophobicContact CZ-CG 3.68Å; L152-L155 PolarHBondContact O-N 3.46Å; L155-G157 PolarHBondContact O-N 3.03Å; L155-D158 HydrophobicContact CB-CB 4.48Å; L155-D158 HydrophobicContact CD2-CB 4.01Å; L155-D158 PolarHBondContact O-N 3.41Å; L155-V159 HydrophobicContact CB-CG2 3.85Å; L155-V159 WeakPolarHBondContact O-CB 3.24Å; L155-V159 VanDerWaalsContact O-CG2 3.24Å; L155-V159 WeakPolarHBondContact O-CG2 3.15Å; L155-V159 PolarHBondContact O-N 3.05Å | ||
| 156 | E | 56.9 | Low | 59.1 | Low | 90 Ų | 90 | 92.6 Ų | 92.6 | 42% | 0.421 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -52.4 | -35.1 | -178.1 | -141.6 | 177 | -160.2 | 0 | 0 | 112.1 | L152 | L152-E156 PolarHBondContact O-N 3.17Å |
| 157 | G | 60.3 | Low | 61.2 | Low | 49 Ų | 49 | 92.2 Ų | 92.2 | 51% | 0.505 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -75.2 | -37.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | L155 I161 | L155-G157 PolarHBondContact O-N 3.03Å; G157-I161 WeakPolarHBondContact O-CD1 3.29Å; G157-I161 VanDerWaalsContact O-CG1 3.31Å; G157-I161 WeakPolarHBondContact O-CG1 3.28Å |
| 158 | D | 65.9 | Low | 63.1 | Low | 107 Ų | 107 | 90.6 Ų | 90.6 | 57% | 0.572 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -80.8 | -30.7 | -176.5 | -72.5 | -15.2 | 0 | 0 | 0 | 111.8 | L155 A162 | L155-D158 HydrophobicContact CB-CB 4.48Å; L155-D158 HydrophobicContact CD2-CB 4.01Å; L155-D158 PolarHBondContact O-N 3.41Å; D158-A162 VanDerWaalsContact O-CB 3.25Å; D158-A162 WeakPolarHBondContact O-CB 3.5Å; D158-A162 PolarHBondContact O-N 2.66Å |
| 159 | V | 67.7 | Low | 65.1 | Low | 41 Ų | 41 | 84.3 Ų | 84.3 | 25% | 0.248 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -69.5 | -41.8 | 177.5 | 179.2 | 0 | 0 | 0 | 0 | 110.5 | L152 L155 I161 A162 L163 | L152-V159 HydrophobicContact CD1-CG2 4.35Å; L155-V159 HydrophobicContact CB-CG2 3.85Å; L155-V159 WeakPolarHBondContact O-CB 3.24Å; L155-V159 VanDerWaalsContact O-CG2 3.24Å; L155-V159 WeakPolarHBondContact O-CG2 3.15Å; L155-V159 PolarHBondContact O-N 3.05Å; V159-I161 VanDerWaalsContact C-N 3.34Å; V159-I161 PolarHBondContact O-N 3.41Å; V159-A162 PolarHBondContact O-N 3.13Å; V159-L163 HydrophobicContact CG1-CD1 3.74Å; V159-L163 HydrophobicContact CG1-CG 4.08Å; V159-L163 WeakPolarHBondContact O-CB 3.14Å; V159-L163 VanDerWaalsContact O-CG 3.26Å; V159-L163 WeakPolarHBondContact O-CG 3.29Å; V159-L163 PolarHBondContact O-N 3.37Å |
| 160 | D | 67.8 | Low | 66.9 | Low | 68 Ų | 68 | 83.6 Ų | 83.6 | 36% | 0.364 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.1 | -39.6 | 178.8 | -78.7 | -7.1 | 0 | 0 | 0 | 112 | S164 L211 | D160-S164 WeakPolarHBondContact O-CB 3.24Å; D160-S164 PolarHBondContact O-N 3.06Å; D160-S164 VanDerWaalsContact O-N 3.08Å; D160-S164 PolarHBondContact O-OG 3.16Å; D160-L211 WeakPolarHBondContact OD1-CD1 3.47Å |
| 161 | I | 72.2 | Confident | 68.7 | Low | 100 Ų | 100 | 79 Ų | 79 | 51% | 0.513 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -65.6 | -47 | 174.1 | -62.4 | 167.6 | 0 | 0 | 0 | 109.7 | G157 V159 L163 S164 D165 | G157-I161 WeakPolarHBondContact O-CD1 3.29Å; G157-I161 VanDerWaalsContact O-CG1 3.31Å; G157-I161 WeakPolarHBondContact O-CG1 3.28Å; V159-I161 VanDerWaalsContact C-N 3.34Å; V159-I161 PolarHBondContact O-N 3.41Å; I161-L163 PolarHBondContact O-N 3.24Å; I161-S164 PolarHBondContact O-N 3.28Å; I161-S164 PolarHBondContact O-OG 3.01Å; I161-D165 PolarHBondContact O-N 3.02Å; I161-D165 VanDerWaalsContact O-N 3.14Å |
| 162 | A | 71 | Confident | 70.4 | Confident | 60 Ų | 60 | 75.2 Ų | 75.2 | 50% | 0.496 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.3 | -38.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | D158 V159 S164 A166 | D158-A162 VanDerWaalsContact O-CB 3.25Å; D158-A162 WeakPolarHBondContact O-CB 3.5Å; D158-A162 PolarHBondContact O-N 2.66Å; V159-A162 PolarHBondContact O-N 3.13Å; A162-S164 VanDerWaalsContact C-N 3.32Å; A162-A166 WeakPolarHBondContact O-CB 3.06Å; A162-A166 PolarHBondContact O-N 3.15Å |
| 163 | L | 79 | Confident | 71.6 | Confident | 71 Ų | 71 | 71.9 Ų | 71.9 | 37% | 0.372 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -72.1 | -27.6 | 176.3 | -70.1 | 175.2 | 0 | 0 | 0 | 112.2 | V159 I161 L171 L174 | V159-L163 HydrophobicContact CG1-CD1 3.74Å; V159-L163 HydrophobicContact CG1-CG 4.08Å; V159-L163 WeakPolarHBondContact O-CB 3.14Å; V159-L163 VanDerWaalsContact O-CG 3.26Å; V159-L163 WeakPolarHBondContact O-CG 3.29Å; V159-L163 PolarHBondContact O-N 3.37Å; I161-L163 PolarHBondContact O-N 3.24Å; L163-L171 HydrophobicContact CD2-CD2 4.09Å; L163-L174 HydrophobicContact CD2-CD1 4.38Å |
| 164 | S | 75.7 | Confident | 73 | Confident | 79 Ų | 79 | 69 Ų | 69 | 55% | 0.552 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -75.5 | -29.5 | 176.2 | 73.8 | 0 | 0 | 0 | 0 | 113.7 | D160 I161 A162 | D160-S164 WeakPolarHBondContact O-CB 3.24Å; D160-S164 PolarHBondContact O-N 3.06Å; D160-S164 VanDerWaalsContact O-N 3.08Å; D160-S164 PolarHBondContact O-OG 3.16Å; I161-S164 PolarHBondContact O-N 3.28Å; I161-S164 PolarHBondContact O-OG 3.01Å; A162-S164 VanDerWaalsContact C-N 3.32Å |
| 165 | D | 79.3 | Confident | 74.3 | Confident | 136 Ų | 136 | 62.4 Ų | 62.4 | 73% | 0.727 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -90.4 | -14.1 | 178.1 | -83 | -10.5 | 0 | 0 | 0 | 113.5 | I161 | I161-D165 PolarHBondContact O-N 3.02Å; I161-D165 VanDerWaalsContact O-N 3.14Å |
| 166 | A | 77.4 | Confident | 75.5 | Confident | 29 Ų | 29 | 60.6 Ų | 60.6 | 24% | 0.24 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -66.4 | 141.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113 | A162 D170 L171 | A162-A166 WeakPolarHBondContact O-CB 3.06Å; A162-A166 PolarHBondContact O-N 3.15Å; A166-D170 HydrophobicContact CB-CB 4.48Å; A166-L171 HydrophobicContact CB-CD2 4.09Å; A166-L171 HydrophobicContact CB-CG 4.23Å |
| 167 | T | 81.6 | Confident | 76.7 | Confident | 78 Ų | 78 | 62.5 Ų | 62.5 | 48% | 0.479 | 36% | 0.364 | S | S | . | . | trans | -73.1 | 156.9 | 176.4 | 73.1 | 0 | 0 | 0 | 0 | 111.3 | N169 D170 L171 | T167-N169 PolarHBondContact O-N 3Å; T167-D170 WeakPolarHBondContact CB-OD2 3.47Å; T167-D170 PolarHBondContact N-OD2 3.1Å; T167-D170 PolarHBondContact O-N 2.75Å; T167-D170 PolarHBondContact OG1-N 3.28Å; T167-D170 PolarHBondContact OG1-OD2 2.88Å; T167-L171 PolarHBondContact O-N 3.26Å | ||
| 168 | E | 77.4 | Confident | 77.9 | Confident | 74 Ų | 74 | 66.5 Ų | 66.5 | 35% | 0.346 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -57.8 | -35.1 | -179.8 | -175.1 | 173.3 | -177.6 | 0 | 0 | 112.4 | L171 V172 T204 F205 | E168-L171 PolarHBondContact O-N 3.44Å; E168-V172 WeakPolarHBondContact O-CG2 3.45Å; E168-V172 PolarHBondContact O-N 2.82Å; E168-T204 WeakPolarHBondContact OE1-CA 3.4Å; E168-F205 PolarHBondContact OE1-N 2.84Å |
| 169 | N | 78.4 | Confident | 78.6 | Confident | 61 Ų | 61 | 62.8 Ų | 62.8 | 33% | 0.326 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.5 | -42.8 | 176.1 | -69.5 | -16.2 | 0 | 0 | 0 | 111.7 | T167 L171 V172 D173 S203 | T167-N169 PolarHBondContact O-N 3Å; N169-L171 VanDerWaalsContact C-N 3.27Å; N169-L171 PolarHBondContact O-N 3.35Å; N169-V172 WeakPolarHBondContact O-CB 3.43Å; N169-V172 PolarHBondContact O-N 2.94Å; N169-D173 PolarHBondContact O-N 3Å; N169-S203 WeakPolarHBondContact OD1-CB 3.33Å |
| 170 | D | 81.4 | Confident | 79.3 | Confident | 77 Ų | 77 | 64 Ų | 64 | 41% | 0.412 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.6 | -35.7 | 177.4 | -56 | -40.7 | 0 | 0 | 0 | 110.9 | A166 T167 D173 L174 | A166-D170 HydrophobicContact CB-CB 4.48Å; T167-D170 WeakPolarHBondContact CB-OD2 3.47Å; T167-D170 PolarHBondContact N-OD2 3.1Å; T167-D170 PolarHBondContact O-N 2.75Å; T167-D170 PolarHBondContact OG1-N 3.28Å; T167-D170 PolarHBondContact OG1-OD2 2.88Å; D170-D173 PolarHBondContact O-N 2.97Å; D170-L174 VanDerWaalsContact O-CB 3.31Å; D170-L174 WeakPolarHBondContact O-CB 3.5Å; D170-L174 VanDerWaalsContact O-CG 3.23Å; D170-L174 WeakPolarHBondContact O-CG 3.1Å; D170-L174 PolarHBondContact O-N 3.37Å |
| 171 | L | 82.9 | Confident | 79.6 | Confident | 22 Ų | 22 | 66.9 Ų | 66.9 | 12% | 0.115 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -68.2 | -38.5 | 175.3 | -67.1 | 175 | 0 | 0 | 0 | 112.6 | L163 A166 T167 E168 N169 A175 F205 F226 | L163-L171 HydrophobicContact CD2-CD2 4.09Å; A166-L171 HydrophobicContact CB-CD2 4.09Å; A166-L171 HydrophobicContact CB-CG 4.23Å; T167-L171 PolarHBondContact O-N 3.26Å; E168-L171 PolarHBondContact O-N 3.44Å; N169-L171 VanDerWaalsContact C-N 3.27Å; N169-L171 PolarHBondContact O-N 3.35Å; L171-A175 VanDerWaalsContact O-CB 3.24Å; L171-A175 WeakPolarHBondContact O-CB 3.37Å; L171-A175 PolarHBondContact O-N 2.89Å; L171-F205 HydrophobicContact CB-CD1 4.1Å; L171-F205 HydrophobicContact CB-CE1 4.44Å; L171-F226 HydrophobicContact CD1-CE1 4.45Å; L171-F226 HydrophobicContact CD1-CZ 3.85Å |
| 172 | V | 79.6 | Confident | 79.9 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -61.8 | -45.7 | 173.7 | 175.2 | 0 | 0 | 0 | 0 | 110 | E168 N169 A175 G176 L184 Q188 Q198 F205 | E168-V172 WeakPolarHBondContact O-CG2 3.45Å; E168-V172 PolarHBondContact O-N 2.82Å; N169-V172 WeakPolarHBondContact O-CB 3.43Å; N169-V172 PolarHBondContact O-N 2.94Å; V172-A175 PolarHBondContact O-N 2.79Å; V172-G176 PolarHBondContact O-N 3.12Å; V172-L184 HydrophobicContact CB-CD2 4.29Å; V172-L184 HydrophobicContact CG1-CD2 3.55Å; V172-Q188 HydrophobicContact CG1-CB 4.03Å; V172-Q188 HydrophobicContact CG1-CG 4.19Å; V172-Q198 HydrophobicContact CB-CG 4.18Å; V172-Q198 VanDerWaalsContact CG1-CD 3.43Å; V172-Q198 HydrophobicContact CG1-CG 3.72Å; V172-F205 HydrophobicContact CG2-CB 3.6Å; V172-F205 HydrophobicContact CG2-CG 4.49Å |
| 173 | D | 81.9 | Confident | 80 | Confident | 45 Ų | 45 | 67.4 Ų | 67.4 | 24% | 0.241 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -68.6 | -42.4 | -179.3 | -69.1 | -20.1 | 0 | 0 | 0 | 111.2 | N169 D170 A175 G176 I177 Q198 | N169-D173 PolarHBondContact O-N 3Å; D170-D173 PolarHBondContact O-N 2.97Å; D173-A175 VanDerWaalsContact C-N 3.34Å; D173-A175 PolarHBondContact O-N 3.43Å; D173-G176 PolarHBondContact O-N 2.98Å; D173-G176 VanDerWaalsContact O-N 3.16Å; D173-I177 VanDerWaalsContact O-CG1 3.26Å; D173-I177 WeakPolarHBondContact O-CG1 3.26Å; D173-I177 PolarHBondContact O-N 2.84Å; D173-Q198 VanDerWaalsContact OD1-CG 3.3Å; D173-Q198 WeakPolarHBondContact OD1-CG 3.34Å; D173-Q198 PolarHBondContact OD1-NE2 3.33Å |
| 174 | L | 83.9 | Confident | 79.8 | Confident | 76 Ų | 76 | 64.8 Ų | 64.8 | 40% | 0.398 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -59.3 | -43.6 | 172 | -77.6 | 171.8 | 0 | 0 | 0 | 111.7 | L163 D170 G176 I177 L178 | L163-L174 HydrophobicContact CD2-CD1 4.38Å; D170-L174 VanDerWaalsContact O-CB 3.31Å; D170-L174 WeakPolarHBondContact O-CB 3.5Å; D170-L174 VanDerWaalsContact O-CG 3.23Å; D170-L174 WeakPolarHBondContact O-CG 3.1Å; D170-L174 PolarHBondContact O-N 3.37Å; L174-G176 VanDerWaalsContact C-N 3.3Å; L174-G176 PolarHBondContact O-N 3.38Å; L174-I177 PolarHBondContact O-N 3.18Å; L174-L178 WeakPolarHBondContact O-CB 3.47Å; L174-L178 WeakPolarHBondContact O-CD1 3.48Å; L174-L178 PolarHBondContact O-N 3.29Å |
| 175 | A | 83.5 | Confident | 79.9 | Confident | 6 Ų | 6 | 62.4 Ų | 62.4 | 5% | 0.05 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -65 | -35.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L171 V172 D173 G179 M180 L184 F205 | L171-A175 VanDerWaalsContact O-CB 3.24Å; L171-A175 WeakPolarHBondContact O-CB 3.37Å; L171-A175 PolarHBondContact O-N 2.89Å; V172-A175 PolarHBondContact O-N 2.79Å; D173-A175 VanDerWaalsContact C-N 3.34Å; D173-A175 PolarHBondContact O-N 3.43Å; A175-G179 PolarHBondContact O-N 3.35Å; A175-M180 HydrophobicContact CB-CB 4.2Å; A175-M180 WeakPolarHBondContact O-CB 3.41Å; A175-M180 PolarHBondContact O-N 3.25Å; A175-L184 HydrophobicContact CB-CD1 3.84Å; A175-L184 HydrophobicContact CB-CD2 4.28Å; A175-L184 HydrophobicContact CB-CG 4.24Å; A175-F205 HydrophobicContact CB-CD2 3.84Å; A175-F205 HydrophobicContact CB-CE2 3.18Å; A175-F205 HydrophobicContact CB-CZ 3.68Å |
| 176 | G | 82.4 | Confident | 80 | Confident | 3 Ų | 3 | 61.6 Ų | 61.6 | 3% | 0.031 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -66.7 | -45.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | V172 D173 L174 G179 L184 | V172-G176 PolarHBondContact O-N 3.12Å; D173-G176 PolarHBondContact O-N 2.98Å; D173-G176 VanDerWaalsContact O-N 3.16Å; L174-G176 VanDerWaalsContact C-N 3.3Å; L174-G176 PolarHBondContact O-N 3.38Å; G176-G179 PolarHBondContact O-N 2.99Å; G176-G179 VanDerWaalsContact O-N 3.08Å; G176-L184 VanDerWaalsContact N-CD1 3.34Å |
| 177 | I | 82.1 | Confident | 80 | Confident | 130 Ų | 130 | 64.5 Ų | 64.5 | 67% | 0.667 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -64.5 | -39.5 | 175.6 | -65.4 | 165.4 | 0 | 0 | 0 | 111.2 | D173 L174 G179 | D173-I177 VanDerWaalsContact O-CG1 3.26Å; D173-I177 WeakPolarHBondContact O-CG1 3.26Å; D173-I177 PolarHBondContact O-N 2.84Å; L174-I177 PolarHBondContact O-N 3.18Å; I177-G179 PolarHBondContact O-N 3.32Å |
| 178 | L | 84.4 | Confident | 79.8 | Confident | 134 Ų | 134 | 60.9 Ų | 60.9 | 70% | 0.702 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -6.9 | 174.1 | -104.7 | 109.1 | 0 | 0 | 0 | 113.7 | L174 M180 | L174-L178 WeakPolarHBondContact O-CB 3.47Å; L174-L178 WeakPolarHBondContact O-CD1 3.48Å; L174-L178 PolarHBondContact O-N 3.29Å; L178-M180 VanDerWaalsContact C-N 3.34Å; L178-M180 HydrophobicContact CB-CG 4.16Å |
| 179 | G | 81.3 | Confident | 80.1 | Confident | 29 Ų | 29 | 60.4 Ų | 60.4 | 30% | 0.299 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.1 | 23.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114 | A175 G176 I177 H181 | A175-G179 PolarHBondContact O-N 3.35Å; G176-G179 PolarHBondContact O-N 2.99Å; G176-G179 VanDerWaalsContact O-N 3.08Å; I177-G179 PolarHBondContact O-N 3.32Å; G179-H181 PolarHBondContact O-N 3Å; G179-H181 PolarHBondContact O-ND1 2.89Å |
| 180 | M | 81.2 | Confident | 80.3 | Confident | 66 Ų | 66 | 63.3 Ų | 63.3 | 33% | 0.325 | 33% | 0.33 | S | S | . | . | trans | -75.6 | 57.1 | 176 | -62.9 | -142.4 | 74.2 | 0 | 0 | 112.1 | A175 L178 S182 M183 | A175-M180 HydrophobicContact CB-CB 4.2Å; A175-M180 WeakPolarHBondContact O-CB 3.41Å; A175-M180 PolarHBondContact O-N 3.25Å; L178-M180 VanDerWaalsContact C-N 3.34Å; L178-M180 HydrophobicContact CB-CG 4.16Å; M180-S182 PolarHBondContact O-N 2.95Å; M180-S182 VanDerWaalsContact O-N 3.13Å; M180-M183 HydrophobicContact CE-CE 3.93Å; M180-M183 HydrophobicContact CE-CG 4.31Å; M180-M183 HydrophobicContact CE-SD 3.8Å; M180-M183 PolarHBondContact O-N 3.13Å; M180-M183 HydrophobicContact SD-SD 4.09Å | ||
| 181 | H | 76.1 | Confident | 80.3 | Confident | 129 Ų | 129 | 60.7 Ų | 60.7 | 60% | 0.597 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -26.5 | 179.6 | 60.7 | -79.6 | 0 | 0 | 0 | 113.7 | G179 M183 L184 | G179-H181 PolarHBondContact O-N 3Å; G179-H181 PolarHBondContact O-ND1 2.89Å; H181-M183 VanDerWaalsContact C-N 3.33Å; H181-M183 PolarHBondContact O-N 2.96Å; H181-L184 VanDerWaalsContact O-O 3.1Å |
| 182 | S | 77.7 | Confident | 80.2 | Confident | 109 Ų | 109 | 60.3 Ų | 60.3 | 76% | 0.762 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -18.1 | 176.9 | -74 | 0 | 0 | 0 | 0 | 114.6 | M180 | M180-S182 PolarHBondContact O-N 2.95Å; M180-S182 VanDerWaalsContact O-N 3.13Å |
| 183 | M | 73.4 | Confident | 80.3 | Confident | 62 Ų | 62 | 65.2 Ų | 65.2 | 31% | 0.305 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | -9.8 | -179.8 | -67.7 | -169.7 | 173 | 0 | 0 | 113.2 | M180 H181 F205 G207 | M180-M183 HydrophobicContact CE-CE 3.93Å; M180-M183 HydrophobicContact CE-CG 4.31Å; M180-M183 HydrophobicContact CE-SD 3.8Å; M180-M183 PolarHBondContact O-N 3.13Å; M180-M183 HydrophobicContact SD-SD 4.09Å; H181-M183 VanDerWaalsContact C-N 3.33Å; H181-M183 PolarHBondContact O-N 2.96Å; M183-F205 HydrophobicContact CB-CD2 4.31Å; M183-F205 HydrophobicContact CB-CE2 3.77Å; M183-F205 HydrophobicContact SD-CE2 4.23Å; M183-F205 HydrophobicContact SD-CZ 4.16Å; M183-G207 VanDerWaalsContact SD-CA 3.53Å |
| 184 | L | 75 | Confident | 80.2 | Confident | 16 Ų | 16 | 68.8 Ų | 68.8 | 8% | 0.084 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -113.3 | 148.2 | -175.1 | -65.9 | 160.5 | 0 | 0 | 0 | 109.8 | V172 A175 G176 H181 Q188 Y189 F205 | V172-L184 HydrophobicContact CB-CD2 4.29Å; V172-L184 HydrophobicContact CG1-CD2 3.55Å; A175-L184 HydrophobicContact CB-CD1 3.84Å; A175-L184 HydrophobicContact CB-CD2 4.28Å; A175-L184 HydrophobicContact CB-CG 4.24Å; G176-L184 VanDerWaalsContact N-CD1 3.34Å; H181-L184 VanDerWaalsContact O-O 3.1Å; L184-Q188 VanDerWaalsContact CA-OE1 3.28Å; L184-Q188 HydrophobicContact CB-CB 4.25Å; L184-Q188 HydrophobicContact CD2-CB 3.99Å; L184-Y189 HydrophobicContact CD1-CD2 4.4Å; L184-F205 HydrophobicContact CD2-CD2 3.98Å; L184-F205 HydrophobicContact CG-CD2 4.47Å |
| 185 | T | 76.7 | Confident | 79.8 | Confident | 29 Ų | 29 | 68.4 Ų | 68.4 | 18% | 0.178 | 37% | 0.371 | C | S | . | . | trans | -72.7 | 157.1 | 166.3 | 60.8 | 0 | 0 | 0 | 0 | 110.3 | N187 Q188 Y189 | T185-N187 PolarHBondContact O-N 3.45Å; T185-N187 VanDerWaalsContact O-N 3.14Å; T185-Q188 PolarHBondContact O-N 3.29Å; T185-Q188 VanDerWaalsContact OG1-CD 3.28Å; T185-Q188 WeakPolarHBondContact OG1-CG 3.4Å; T185-Q188 PolarHBondContact OG1-N 3.41Å; T185-Q188 PolarHBondContact OG1-OE1 2.97Å; T185-Y189 PolarHBondContact O-N 2.94Å | ||
| 186 | Q | 80.7 | Confident | 79.4 | Confident | 119 Ų | 119 | 73.1 Ų | 73.1 | 56% | 0.556 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -53 | -39.4 | 179.3 | -165.7 | 70.9 | 43.9 | 0 | 0 | 112.1 | Y190 | Q186-Y190 HydrophobicContact CG-CD2 3.82Å; Q186-Y190 HydrophobicContact CG-CE2 3.68Å; Q186-Y190 WeakPolarHBondContact O-CB 3.46Å; Q186-Y190 WeakPolarHBondContact O-CD2 3.41Å; Q186-Y190 PolarHBondContact O-N 3.18Å |
| 187 | N | 78.7 | Confident | 78.8 | Confident | 90 Ų | 90 | 78.1 Ų | 78.1 | 48% | 0.481 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -68.9 | -43.6 | 177.2 | -70.5 | -42 | 0 | 0 | 0 | 112.4 | T185 Y189 Y190 N191 | T185-N187 PolarHBondContact O-N 3.45Å; T185-N187 VanDerWaalsContact O-N 3.14Å; N187-Y189 VanDerWaalsContact C-N 3.34Å; N187-Y189 PolarHBondContact O-N 3.39Å; N187-Y190 PolarHBondContact O-N 3.4Å; N187-N191 VanDerWaalsContact O-CB 3.31Å; N187-N191 WeakPolarHBondContact O-CB 3.25Å; N187-N191 PolarHBondContact O-N 2.99Å; N187-N191 PolarHBondContact O-OD1 2.86Å |
| 188 | Q | 77.9 | Confident | 78.2 | Confident | 1 Ų | 1 | 72.4 Ų | 72.4 | 1% | 0.005 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -61.6 | -43.6 | 177 | -72.9 | 165.7 | -11.8 | 0 | 0 | 111.5 | V172 L184 T185 N191 A192 Q198 S202 T204 | V172-Q188 HydrophobicContact CG1-CB 4.03Å; V172-Q188 HydrophobicContact CG1-CG 4.19Å; L184-Q188 VanDerWaalsContact CA-OE1 3.28Å; L184-Q188 HydrophobicContact CB-CB 4.25Å; L184-Q188 HydrophobicContact CD2-CB 3.99Å; T185-Q188 PolarHBondContact O-N 3.29Å; T185-Q188 VanDerWaalsContact OG1-CD 3.28Å; T185-Q188 WeakPolarHBondContact OG1-CG 3.4Å; T185-Q188 PolarHBondContact OG1-N 3.41Å; T185-Q188 PolarHBondContact OG1-OE1 2.97Å; Q188-N191 PolarHBondContact O-N 3.34Å; Q188-A192 WeakPolarHBondContact O-CB 3.27Å; Q188-A192 PolarHBondContact O-N 3.28Å; Q188-Q198 PolarHBondContact O-NE2 2.94Å; Q188-S202 PolarHBondContact NE2-O 3.3Å; Q188-T204 PolarHBondContact NE2-O 2.88Å |
| 189 | Y | 82.3 | Confident | 77.2 | Confident | 64 Ų | 64 | 71 Ų | 71 | 25% | 0.251 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.6 | -45.5 | 177.5 | 178.6 | -107.6 | 0 | 0 | 0 | 111.8 | L184 T185 N187 A192 L193 | L184-Y189 HydrophobicContact CD1-CD2 4.4Å; T185-Y189 PolarHBondContact O-N 2.94Å; N187-Y189 VanDerWaalsContact C-N 3.34Å; N187-Y189 PolarHBondContact O-N 3.39Å; Y189-A192 PolarHBondContact O-N 3.27Å; Y189-L193 HydrophobicContact CD1-CD1 3.78Å; Y189-L193 HydrophobicContact CE1-CD1 3.25Å; Y189-L193 HydrophobicContact CE1-CG 4.39Å; Y189-L193 HydrophobicContact CE2-CD1 4.09Å; Y189-L193 HydrophobicContact CE2-CG 4.46Å; Y189-L193 HydrophobicContact CG-CD1 4.4Å; Y189-L193 VanDerWaalsContact CZ-CD1 3.42Å; Y189-L193 PolarHBondContact O-N 2.88Å |
| 190 | Y | 82.2 | Confident | 76.1 | Confident | 123 Ų | 123 | 74 Ų | 74 | 48% | 0.482 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.3 | -39.8 | 174.6 | -84.5 | -61.8 | 0 | 0 | 0 | 112.7 | Q186 N187 A192 L193 E194 | Q186-Y190 HydrophobicContact CG-CD2 3.82Å; Q186-Y190 HydrophobicContact CG-CE2 3.68Å; Q186-Y190 WeakPolarHBondContact O-CB 3.46Å; Q186-Y190 WeakPolarHBondContact O-CD2 3.41Å; Q186-Y190 PolarHBondContact O-N 3.18Å; N187-Y190 PolarHBondContact O-N 3.4Å; Y190-A192 VanDerWaalsContact C-N 3.33Å; Y190-A192 PolarHBondContact O-N 3.34Å; Y190-L193 PolarHBondContact O-N 3.45Å; Y190-E194 WeakPolarHBondContact O-CB 3.5Å; Y190-E194 WeakPolarHBondContact O-CG 3.45Å; Y190-E194 PolarHBondContact O-N 2.98Å |
| 191 | N | 81.7 | Confident | 75 | Confident | 22 Ų | 22 | 78.4 Ų | 78.4 | 12% | 0.118 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -61.8 | -41.9 | 176.7 | -74.3 | -9.3 | 0 | 0 | 0 | 111.3 | N187 Q188 E194 G195 K196 | N187-N191 VanDerWaalsContact O-CB 3.31Å; N187-N191 WeakPolarHBondContact O-CB 3.25Å; N187-N191 PolarHBondContact O-N 2.99Å; N187-N191 PolarHBondContact O-OD1 2.86Å; Q188-N191 PolarHBondContact O-N 3.34Å; N191-E194 PolarHBondContact O-N 3.12Å; N191-G195 PolarHBondContact O-N 2.83Å; N191-K196 HydrophobicContact CB-CB 4.2Å; N191-K196 PolarHBondContact O-N 2.63Å |
| 192 | A | 81.6 | Confident | 74 | Confident | 13 Ų | 13 | 73.7 Ų | 73.7 | 11% | 0.107 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -66.1 | -39.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q188 Y189 Y190 G195 | Q188-A192 WeakPolarHBondContact O-CB 3.27Å; Q188-A192 PolarHBondContact O-N 3.28Å; Y189-A192 PolarHBondContact O-N 3.27Å; Y190-A192 VanDerWaalsContact C-N 3.33Å; Y190-A192 PolarHBondContact O-N 3.34Å; A192-G195 PolarHBondContact O-N 3.08Å |
| 193 | L | 81.3 | Confident | 72.8 | Confident | 104 Ų | 104 | 69.4 Ų | 69.4 | 55% | 0.545 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -67.5 | -37.9 | 175.2 | -84.5 | 166.3 | 0 | 0 | 0 | 113.3 | Y189 Y190 G195 | Y189-L193 HydrophobicContact CD1-CD1 3.78Å; Y189-L193 HydrophobicContact CE1-CD1 3.25Å; Y189-L193 HydrophobicContact CE1-CG 4.39Å; Y189-L193 HydrophobicContact CE2-CD1 4.09Å; Y189-L193 HydrophobicContact CE2-CG 4.46Å; Y189-L193 HydrophobicContact CG-CD1 4.4Å; Y189-L193 VanDerWaalsContact CZ-CD1 3.42Å; Y189-L193 PolarHBondContact O-N 2.88Å; Y190-L193 PolarHBondContact O-N 3.45Å; L193-G195 VanDerWaalsContact C-N 3.33Å |
| 194 | E | 80 | Confident | 71.8 | Confident | 119 Ų | 119 | 68.9 Ų | 68.9 | 56% | 0.556 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -84.8 | -6.3 | 179.7 | -69.2 | -171.4 | 163.5 | 0 | 0 | 113.2 | Y190 N191 K196 | Y190-E194 WeakPolarHBondContact O-CB 3.5Å; Y190-E194 WeakPolarHBondContact O-CG 3.45Å; Y190-E194 PolarHBondContact O-N 2.98Å; N191-E194 PolarHBondContact O-N 3.12Å; E194-K196 VanDerWaalsContact C-N 3.26Å; E194-K196 HydrophobicContact CB-CD 4.37Å; E194-K196 HydrophobicContact CB-CG 4.22Å; E194-K196 PolarHBondContact O-N 3.45Å; E194-K196 WeakPolarHBondContact OE2-CD 3.4Å; E194-K196 WeakPolarHBondContact OE2-CE 3.45Å; E194-K196 IonicContact OE2-NZ 3.83Å; E194-K196 PolarHBondContact OE2-NZ 3.13Å |
| 195 | G | 74.7 | Confident | 70.5 | Confident | 68 Ų | 68 | 69.3 Ų | 69.3 | 70% | 0.701 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67 | 25.7 | -175 | 0 | 0 | 0 | 0 | 0 | 113.5 | N191 A192 L193 | N191-G195 PolarHBondContact O-N 2.83Å; A192-G195 PolarHBondContact O-N 3.08Å; L193-G195 VanDerWaalsContact C-N 3.33Å |
| 196 | K | 76.3 | Confident | 69 | Low | 105 Ų | 105 | 70.2 Ų | 70.2 | 46% | 0.457 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -80 | 139.9 | 174.5 | -74.4 | 176.4 | 175.4 | 162.9 | 0 | 109.5 | N191 E194 Q198 | N191-K196 HydrophobicContact CB-CB 4.2Å; N191-K196 PolarHBondContact O-N 2.63Å; E194-K196 VanDerWaalsContact C-N 3.26Å; E194-K196 HydrophobicContact CB-CD 4.37Å; E194-K196 HydrophobicContact CB-CG 4.22Å; E194-K196 PolarHBondContact O-N 3.45Å; E194-K196 WeakPolarHBondContact OE2-CD 3.4Å; E194-K196 WeakPolarHBondContact OE2-CE 3.45Å; E194-K196 IonicContact OE2-NZ 3.83Å; E194-K196 PolarHBondContact OE2-NZ 3.13Å; K196-Q198 PolarHBondContact O-N 2.88Å |
| 197 | P | 69.6 | Low | 67.2 | Low | 108 Ų | 108 | 65 Ų | 65 | 70% | 0.701 | 37% | 0.367 | S | S | * | . | P | Polyproline II helix | trans | -58.1 | 134.5 | 174.1 | 26 | -33.3 | 0 | 0 | 0 | 109.4 | D199 | P197-D199 PolarHBondContact O-N 3.06Š|
| 198 | Q | 69 | Low | 65.4 | Low | 11 Ų | 11 | 69.9 Ų | 69.9 | 5% | 0.051 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 124.5 | 173.8 | -62.5 | -65.5 | -22.2 | 0 | 0 | 108.9 | V172 D173 Q188 K196 S200 | V172-Q198 HydrophobicContact CB-CG 4.18Å; V172-Q198 VanDerWaalsContact CG1-CD 3.43Å; V172-Q198 HydrophobicContact CG1-CG 3.72Å; D173-Q198 VanDerWaalsContact OD1-CG 3.3Å; D173-Q198 WeakPolarHBondContact OD1-CG 3.34Å; D173-Q198 PolarHBondContact OD1-NE2 3.33Å; Q188-Q198 PolarHBondContact O-NE2 2.94Å; K196-Q198 PolarHBondContact O-N 2.88Å; Q198-S200 PolarHBondContact O-N 3.31Å |
| 199 | D | 64.4 | Low | 63.7 | Low | 104 Ų | 104 | 77.6 Ų | 77.6 | 56% | 0.556 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 127 | 171.1 | -61.7 | -43 | 0 | 0 | 0 | 107.8 | P197 D201 S202 S203 | P197-D199 PolarHBondContact O-N 3.06Å; D199-D201 PolarHBondContact O-N 3.09Å; D199-S202 WeakPolarHBondContact O-CA 3.27Å; D199-S202 PolarHBondContact O-N 2.91Å; D199-S203 PolarHBondContact O-N 3.43Å; D199-S203 VanDerWaalsContact O-N 3.08Å |
| 200 | S | 57.7 | Low | 61.7 | Low | 92 Ų | 92 | 82 Ų | 82 | 64% | 0.643 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -21.3 | 179 | 54.4 | 0 | 0 | 0 | 0 | 113.4 | Q198 S203 | Q198-S200 PolarHBondContact O-N 3.31Å; S200-S203 PolarHBondContact O-OG 3.31Å |
| 201 | D | 58.2 | Low | 59.8 | Low | 158 Ų | 158 | 80 Ų | 80 | 85% | 0.845 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -17.7 | 179.2 | -64.8 | -7.9 | 0 | 0 | 0 | 112.3 | D199 | D199-D201 PolarHBondContact O-N 3.09Š|
| 202 | S | 54.8 | Low | 57.9 | Low | 30 Ų | 30 | 85.9 Ų | 85.9 | 21% | 0.21 | 45% | 0.453 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99 | -27.2 | 178 | -165.8 | 0 | 0 | 0 | 0 | 111.7 | Q188 D199 T204 | Q188-S202 PolarHBondContact NE2-O 3.3Å; D199-S202 WeakPolarHBondContact O-CA 3.27Å; D199-S202 PolarHBondContact O-N 2.91Å; S202-T204 PolarHBondContact O-N 2.93Å; S202-T204 PolarHBondContact O-OG1 3.44Å |
| 203 | S | 52.4 | Low | 56 | Low | 19 Ų | 19 | 91.1 Ų | 91.1 | 13% | 0.133 | 48% | 0.475 | C | S | . | . | trans | -60.2 | 98.8 | -178 | 59.5 | 0 | 0 | 0 | 0 | 111.8 | N169 D199 S200 | N169-S203 WeakPolarHBondContact OD1-CB 3.33Å; D199-S203 PolarHBondContact O-N 3.43Å; D199-S203 VanDerWaalsContact O-N 3.08Å; S200-S203 PolarHBondContact O-OG 3.31Å | ||
| 204 | T | 51.8 | Low | 53.6 | Low | 52 Ų | 52 | 94.1 Ų | 94.1 | 32% | 0.319 | 48% | 0.484 | S | S | . | . | trans | -143.4 | 87 | 165.2 | 16.5 | 0 | 0 | 0 | 0 | 106.3 | E168 Q188 S202 A228 | E168-T204 WeakPolarHBondContact OE1-CA 3.4Å; Q188-T204 PolarHBondContact NE2-O 2.88Å; S202-T204 PolarHBondContact O-N 2.93Å; S202-T204 PolarHBondContact O-OG1 3.44Å; T204-A228 HydrophobicContact CG2-CB 3.82Å | ||
| 205 | F | 48.9 | Very low | 51.6 | Low | 24 Ų | 24 | 96.3 Ų | 96.3 | 11% | 0.105 | 50% | 0.498 | C | S | . | . | trans | -86.8 | 118.6 | 173.1 | 178.3 | -109.7 | 0 | 0 | 0 | 108.9 | E168 L171 V172 A175 M183 L184 | E168-F205 PolarHBondContact OE1-N 2.84Å; L171-F205 HydrophobicContact CB-CD1 4.1Å; L171-F205 HydrophobicContact CB-CE1 4.44Å; V172-F205 HydrophobicContact CG2-CB 3.6Å; V172-F205 HydrophobicContact CG2-CG 4.49Å; A175-F205 HydrophobicContact CB-CD2 3.84Å; A175-F205 HydrophobicContact CB-CE2 3.18Å; A175-F205 HydrophobicContact CB-CZ 3.68Å; M183-F205 HydrophobicContact CB-CD2 4.31Å; M183-F205 HydrophobicContact CB-CE2 3.77Å; M183-F205 HydrophobicContact SD-CE2 4.23Å; M183-F205 HydrophobicContact SD-CZ 4.16Å; L184-F205 HydrophobicContact CD2-CD2 3.98Å; L184-F205 HydrophobicContact CG-CD2 4.47Å | ||
| 206 | S | 45.2 | Very low | 49.8 | Very low | 49 Ų | 49 | 98.4 Ų | 98.4 | 34% | 0.343 | 50% | 0.5 | S | S | . | . | trans | -111.5 | 82.8 | 177.6 | 159.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 207 | G | 43.6 | Very low | 48.1 | Very low | 10 Ų | 10 | 100.3 Ų | 100.3 | 10% | 0.103 | 52% | 0.515 | C | S | . | . | trans | -111.5 | 115.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | M183 F209 | M183-G207 VanDerWaalsContact SD-CA 3.53Å; G207-F209 VanDerWaalsContact C-N 3.33Å; G207-F209 PolarHBondContact O-N 2.82Å; G207-F209 VanDerWaalsContact O-N 3.17Å | ||
| 208 | R | 40.1 | Very low | 46.8 | Very low | 192 Ų | 192 | 100.7 Ų | 100.7 | 73% | 0.725 | 51% | 0.511 | S | S | * | . | trans | -84.3 | 81.1 | 167 | -164.1 | -178 | -164.5 | 165.6 | 7.2 | 108.4 | R210 | R208-R210 PolarHBondContact O-N 3.12Å; R208-R210 VanDerWaalsContact O-N 3.11Å | ||
| 209 | F | 42.6 | Very low | 45.8 | Very low | 163 Ų | 163 | 109.1 Ų | 109.1 | 72% | 0.715 | 55% | 0.55 | S | S | * | * | trans | -78.9 | 94.8 | 169.5 | -131.6 | -92.3 | 0 | 0 | 0 | 108.1 | G207 L211 | G207-F209 VanDerWaalsContact C-N 3.33Å; G207-F209 PolarHBondContact O-N 2.82Å; G207-F209 VanDerWaalsContact O-N 3.17Å; F209-L211 HydrophobicContact CD1-CD1 3.94Å; F209-L211 HydrophobicContact CD1-CG 4.26Å; F209-L211 HydrophobicContact CE1-CD1 4.29Å; F209-L211 HydrophobicContact CE1-CG 4.42Å; F209-L211 PolarHBondContact O-N 3.01Å | ||
| 210 | R | 40.4 | Very low | 44.9 | Very low | 157 Ų | 157 | 108.7 Ų | 108.7 | 59% | 0.592 | 56% | 0.556 | S | S | * | * | trans | -92.6 | 91.8 | 169.4 | -165.7 | -166.4 | -85.9 | 167.8 | -7.8 | 106.3 | R208 Q212 | R208-R210 PolarHBondContact O-N 3.12Å; R208-R210 VanDerWaalsContact O-N 3.11Å; R210-Q212 VanDerWaalsContact C-N 3.26Å; R210-Q212 HydrophobicContact CG-CG 4.06Å; R210-Q212 PolarHBondContact O-N 3.44Å | ||
| 211 | L | 42.3 | Very low | 44.2 | Very low | 79 Ų | 79 | 107.7 Ų | 107.7 | 41% | 0.414 | 55% | 0.553 | S | S | . | * | trans | -63.3 | 96.7 | 160.2 | -93.9 | 129.7 | 0 | 0 | 0 | 107.1 | D160 F209 H213 | D160-L211 WeakPolarHBondContact OD1-CD1 3.47Å; F209-L211 HydrophobicContact CD1-CD1 3.94Å; F209-L211 HydrophobicContact CD1-CG 4.26Å; F209-L211 HydrophobicContact CE1-CD1 4.29Å; F209-L211 HydrophobicContact CE1-CG 4.42Å; F209-L211 PolarHBondContact O-N 3.01Å; L211-H213 PolarHBondContact O-N 3.07Å; L211-H213 VanDerWaalsContact O-N 3.1Å | ||
| 212 | Q | 40.9 | Very low | 43.4 | Very low | 146 Ų | 146 | 108.1 Ų | 108.1 | 68% | 0.682 | 55% | 0.55 | S | S | * | . | trans | -79.5 | 74.8 | 165.6 | -83.3 | -179.9 | -24.7 | 0 | 0 | 107.4 | R210 | R210-Q212 VanDerWaalsContact C-N 3.26Å; R210-Q212 HydrophobicContact CG-CG 4.06Å; R210-Q212 PolarHBondContact O-N 3.44Å | ||
| 213 | H | 41.9 | Very low | 42.8 | Very low | 124 Ų | 124 | 111.8 Ų | 111.8 | 57% | 0.574 | 57% | 0.573 | S | S | * | * | trans | -121.3 | 106.9 | 160.9 | -120 | -110.8 | 0 | 0 | 0 | 110.2 | L211 L215 | L211-H213 PolarHBondContact O-N 3.07Å; L211-H213 VanDerWaalsContact O-N 3.1Å; H213-L215 PolarHBondContact O-N 3.41Å | ||
| 214 | F | 31.4 | Very low | 42.2 | Very low | 167 Ų | 167 | 117.1 Ų | 117.1 | 73% | 0.732 | 60% | 0.6 | S | S | * | * | trans | 10.4 | 96 | 156.1 | -58.1 | -88.8 | 0 | 0 | 0 | 117.6 | ||||
| 215 | L | 36.9 | Very low | 41.5 | Very low | 165 Ų | 165 | 119.8 Ų | 119.8 | 86% | 0.864 | 61% | 0.612 | S | S | * | * | trans | -152.4 | 112.7 | 132.6 | -75.8 | -171.9 | 0 | 0 | 0 | 108.7 | H213 | H213-L215 PolarHBondContact O-N 3.41Š| ||
| 216 | P | 36.7 | Very low | 41.3 | Very low | 112 Ų | 112 | 123.6 Ų | 123.6 | 73% | 0.727 | 63% | 0.629 | S | S | * | * | trans | -73.4 | 139.4 | 169.1 | 31 | -28.4 | 0 | 0 | 0 | 108.4 | ||||
| 217 | N | 40.4 | Very low | 41.3 | Very low | 145 Ų | 145 | 130.1 Ų | 130.1 | 78% | 0.775 | 65% | 0.651 | S | S | * | * | trans | 101.8 | 6.7 | 162.3 | -61.3 | -22.6 | 0 | 0 | 0 | 120.7 | Q219 | N217-Q219 PolarHBondContact O-N 3.11Å; N217-Q219 VanDerWaalsContact O-N 3.14Å | ||
| 218 | D | 42.7 | Very low | 41.6 | Very low | 115 Ų | 115 | 130.8 Ų | 130.8 | 62% | 0.615 | 66% | 0.656 | S | S | * | * | trans | -86.2 | 88 | 163.7 | -147.1 | -21.7 | 0 | 0 | 0 | 111.5 | S220 | D218-S220 PolarHBondContact O-N 3.3Å; D218-S220 WeakPolarHBondContact OD1-CB 3.39Å; D218-S220 PolarHBondContact OD1-N 2.93Å; D218-S220 VanDerWaalsContact OD1-N 3.1Å; D218-S220 PolarHBondContact OD1-OG 3.17Å | ||
| 219 | Q | 49.6 | Very low | 42.1 | Very low | 188 Ų | 188 | 127.1 Ų | 127.1 | 88% | 0.879 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | -0.1 | 173.6 | -64.4 | -174.8 | 18.5 | 0 | 0 | 112.8 | N217 | N217-Q219 PolarHBondContact O-N 3.11Å; N217-Q219 VanDerWaalsContact O-N 3.14Å |
| 220 | S | 45.4 | Very low | 42.6 | Very low | 96 Ų | 96 | 124.1 Ų | 124.1 | 67% | 0.671 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97 | -9.8 | -179.6 | 75.8 | 0 | 0 | 0 | 0 | 114.3 | D218 Q222 | D218-S220 PolarHBondContact O-N 3.3Å; D218-S220 WeakPolarHBondContact OD1-CB 3.39Å; D218-S220 PolarHBondContact OD1-N 2.93Å; D218-S220 VanDerWaalsContact OD1-N 3.1Å; D218-S220 PolarHBondContact OD1-OG 3.17Å; S220-Q222 PolarHBondContact O-N 3.45Å |
| 221 | A | 42.9 | Very low | 43.3 | Very low | 71 Ų | 71 | 124.4 Ų | 124.4 | 59% | 0.587 | 66% | 0.655 | S | S | * | * | trans | -74.6 | 98.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | P223 | A221-P223 WeakPolarHBondContact O-CD 3.49Š| ||
| 222 | Q | 40.3 | Very low | 44.4 | Very low | 166 Ų | 166 | 125.1 Ų | 125.1 | 78% | 0.776 | 67% | 0.672 | S | S | * | * | trans | -52.8 | 117.1 | 163.5 | -96.5 | -179.4 | -12 | 0 | 0 | 107 | S220 N224 | S220-Q222 PolarHBondContact O-N 3.45Å; Q222-N224 PolarHBondContact O-N 2.82Å; Q222-N224 PolarHBondContact O-OD1 3.44Å | ||
| 223 | P | 41.8 | Very low | 45.7 | Very low | 108 Ų | 108 | 121.5 Ų | 121.5 | 70% | 0.701 | 66% | 0.663 | S | S | * | * | trans | -64.9 | 109.7 | 170.8 | 26.2 | -29.6 | 0 | 0 | 0 | 105.1 | A221 N225 | A221-P223 WeakPolarHBondContact O-CD 3.49Å; P223-N225 WeakPolarHBondContact O-CB 3.43Å; P223-N225 PolarHBondContact O-N 3.13Å | ||
| 224 | N | 40.4 | Very low | 47 | Very low | 130 Ų | 130 | 121.2 Ų | 121.2 | 70% | 0.695 | 67% | 0.672 | S | S | * | * | trans | -60.3 | 90 | 172.1 | -68.1 | -17 | 0 | 0 | 0 | 106.7 | Q222 F226 | Q222-N224 PolarHBondContact O-N 2.82Å; Q222-N224 PolarHBondContact O-OD1 3.44Å; N224-F226 PolarHBondContact O-N 3.5Å; N224-F226 VanDerWaalsContact O-N 3.08Å | ||
| 225 | N | 37.4 | Very low | 49.1 | Very low | 108 Ų | 108 | 121.2 Ų | 121.2 | 58% | 0.578 | 68% | 0.678 | S | S | * | * | trans | -84.1 | 93.1 | -168.6 | -149.2 | 18.7 | 0 | 0 | 0 | 105.9 | P223 K227 | P223-N225 WeakPolarHBondContact O-CB 3.43Å; P223-N225 PolarHBondContact O-N 3.13Å; N225-K227 PolarHBondContact O-N 3.34Å | ||
| 226 | F | 44.5 | Very low | 51.1 | Low | 105 Ų | 105 | 122.5 Ų | 122.5 | 46% | 0.461 | 68% | 0.677 | S | S | . | * | trans | -55.8 | 102.6 | 170.7 | -90.8 | -94 | 0 | 0 | 0 | 109.1 | L171 N224 | L171-F226 HydrophobicContact CD1-CE1 4.45Å; L171-F226 HydrophobicContact CD1-CZ 3.85Å; N224-F226 PolarHBondContact O-N 3.5Å; N224-F226 VanDerWaalsContact O-N 3.08Å | ||
| 227 | K | 45 | Very low | 53.1 | Low | 186 Ų | 186 | 125.1 Ų | 125.1 | 81% | 0.809 | 68% | 0.684 | S | S | * | * | trans | -108.4 | 64.3 | 176.2 | -78.9 | -175.2 | 175.2 | 178 | 0 | 109.7 | N225 | N225-K227 PolarHBondContact O-N 3.34Š| ||
| 228 | A | 49.6 | Very low | 54.8 | Low | 24 Ų | 24 | 125.4 Ų | 125.4 | 20% | 0.198 | 69% | 0.685 | C | S | . | * | trans | -98.8 | 124.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | T204 | T204-A228 HydrophobicContact CG2-CB 3.82Š| ||
| 229 | V | 51.6 | Low | 56.5 | Low | 115 Ų | 115 | 125.5 Ų | 125.5 | 70% | 0.697 | 69% | 0.692 | S | S | * | * | trans | -90.3 | 117.8 | 174.2 | 176.7 | 0 | 0 | 0 | 0 | 107.9 | K231 | V229-K231 PolarHBondContact O-N 2.97Å; V229-K231 VanDerWaalsContact O-N 3.15Å | ||
| 230 | V | 52.3 | Low | 57.9 | Low | 99 Ų | 99 | 125.8 Ų | 125.8 | 60% | 0.6 | 69% | 0.693 | S | S | * | * | trans | -61.1 | 116 | 172.8 | -179.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 231 | K | 55.2 | Low | 59.4 | Low | 164 Ų | 164 | 129 Ų | 129 | 71% | 0.713 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -95.8 | 131.6 | 170.1 | -67.7 | -179.5 | -176 | 170 | 0 | 108.5 | V229 | V229-K231 PolarHBondContact O-N 2.97Å; V229-K231 VanDerWaalsContact O-N 3.15Å |
| 232 | A | 65.9 | Low | 61.2 | Low | 94 Ų | 94 | 131.3 Ų | 131.3 | 78% | 0.777 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 139 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||
| 233 | S | 67.2 | Low | 63.1 | Low | 70 Ų | 70 | 129.7 Ų | 129.7 | 49% | 0.49 | 71% | 0.708 | S | S | . | * | P | Polyproline II helix | trans | -53 | 127.5 | 172.3 | -60 | 0 | 0 | 0 | 0 | 109.2 | L235 | S233-L235 PolarHBondContact O-N 3.09Š|
| 234 | P | 70.2 | Confident | 65.1 | Low | 118 Ų | 118 | 126.2 Ų | 126.2 | 77% | 0.766 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 131.7 | 178.6 | 23.9 | -32.2 | 0 | 0 | 0 | 109.5 | K236 | P234-K236 PolarHBondContact O-N 3.35Å; P234-K236 VanDerWaalsContact O-N 3.09Å |
| 235 | L | 74.6 | Confident | 67.2 | Low | 166 Ų | 166 | 127.3 Ų | 127.3 | 87% | 0.869 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 116.8 | 175.2 | -71.6 | 169.9 | 0 | 0 | 0 | 108.5 | S233 L237 | S233-L235 PolarHBondContact O-N 3.09Å; L235-L237 PolarHBondContact O-N 3.04Å |
| 236 | K | 80.1 | Confident | 69.6 | Low | 193 Ų | 193 | 124 Ų | 124 | 84% | 0.839 | 67% | 0.673 | S | S | * | * | trans | -69.6 | 99.4 | 170.6 | -65.2 | -179.4 | -176.9 | 177.5 | 0 | 107.1 | P234 L238 | P234-K236 PolarHBondContact O-N 3.35Å; P234-K236 VanDerWaalsContact O-N 3.09Å; K236-L238 PolarHBondContact O-N 3.41Å | ||
| 237 | L | 77.1 | Confident | 71.7 | Confident | 167 Ų | 167 | 123.6 Ų | 123.6 | 87% | 0.874 | 68% | 0.676 | S | S | * | * | trans | -64.4 | 102.8 | 165.7 | -74.1 | 163.4 | 0 | 0 | 0 | 106.8 | L235 | L235-L237 PolarHBondContact O-N 3.04Š| ||
| 238 | L | 77 | Confident | 73.8 | Confident | 150 Ų | 150 | 115.1 Ų | 115.1 | 79% | 0.785 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 134.1 | 172.1 | -66.3 | 173.5 | 0 | 0 | 0 | 107.8 | K236 | K236-L238 PolarHBondContact O-N 3.41Š|
| 239 | P | 78.6 | Confident | 75.8 | Confident | 117 Ų | 117 | 117.3 Ų | 117.3 | 76% | 0.76 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 144.2 | 172.4 | 25.9 | -32.6 | 0 | 0 | 0 | 109.4 | E241 | P239-E241 PolarHBondContact O-N 2.84Š|
| 240 | E | 78.5 | Confident | 77.7 | Confident | 195 Ų | 195 | 113.1 Ų | 113.1 | 91% | 0.911 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 130.4 | 172.1 | -65.6 | -177 | 173.5 | 0 | 0 | 108.9 | ||
| 241 | E | 78 | Confident | 79.6 | Confident | 163 Ų | 163 | 109 Ų | 109 | 76% | 0.762 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 144.3 | 176.6 | -66.9 | -177.8 | 168.2 | 0 | 0 | 110.2 | P239 V243 | P239-E241 PolarHBondContact O-N 2.84Å; E241-V243 PolarHBondContact O-N 3.24Å |
| 242 | P | 79.1 | Confident | 81.4 | Confident | 120 Ų | 120 | 101.7 Ų | 101.7 | 78% | 0.779 | 58% | 0.576 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 141.8 | 178.7 | 26.5 | -34.1 | 0 | 0 | 0 | 110.5 | N244 | P242-N244 PolarHBondContact O-N 3.12Š|
| 243 | V | 81 | Confident | 82.8 | Confident | 132 Ų | 132 | 105.1 Ų | 105.1 | 80% | 0.8 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 133.3 | 173.6 | -177.9 | 0 | 0 | 0 | 0 | 108.6 | E241 D245 | E241-V243 PolarHBondContact O-N 3.24Å; V243-D245 PolarHBondContact O-N 3.19Å |
| 244 | N | 84.5 | Confident | 84 | Confident | 35 Ų | 35 | 106.5 Ų | 106.5 | 19% | 0.187 | 56% | 0.563 | C | S | . | * | P | Polyproline II helix | trans | -59.5 | 122.5 | 176.3 | -174.1 | -4.9 | 0 | 0 | 0 | 110.2 | P242 T246 N266 N268 M270 | P242-N244 PolarHBondContact O-N 3.12Å; N244-T246 VanDerWaalsContact OD1-CB 3.29Å; N244-T246 WeakPolarHBondContact OD1-CB 3.39Å; N244-T246 PolarHBondContact OD1-N 3.28Å; N244-T246 VanDerWaalsContact OD1-N 3.08Å; N244-T246 PolarHBondContact OD1-OG1 3.4Å; N244-N266 PolarHBondContact ND2-O 2.62Å; N244-N268 PolarHBondContact ND2-N 2.99Å; N244-N268 PolarHBondContact ND2-O 3.44Å; N244-M270 HydrophobicContact CB-CG 3.95Å; N244-M270 HydrophobicContact CB-SD 4.36Å |
| 245 | D | 83.1 | Confident | 85.1 | Confident | 153 Ų | 153 | 100.9 Ų | 100.9 | 82% | 0.818 | 53% | 0.526 | S | S | * | . | trans | -100 | 11.6 | -175.5 | 64.2 | -20.2 | 0 | 0 | 0 | 113.2 | V243 D247 | V243-D245 PolarHBondContact O-N 3.19Å; D245-D247 PolarHBondContact O-N 3.43Å | ||
| 246 | T | 87.5 | Confident | 86 | Confident | 38 Ų | 38 | 99.9 Ų | 99.9 | 23% | 0.233 | 51% | 0.511 | C | S | . | . | trans | -60.4 | 123.1 | -179.4 | -61 | 0 | 0 | 0 | 0 | 111.8 | N244 V248 N266 V267 M270 | N244-T246 VanDerWaalsContact OD1-CB 3.29Å; N244-T246 WeakPolarHBondContact OD1-CB 3.39Å; N244-T246 PolarHBondContact OD1-N 3.28Å; N244-T246 VanDerWaalsContact OD1-N 3.08Å; N244-T246 PolarHBondContact OD1-OG1 3.4Å; T246-V248 PolarHBondContact O-N 3.16Å; T246-V248 VanDerWaalsContact O-N 3.16Å; T246-N266 WeakPolarHBondContact CB-O 3.23Å; T246-N266 PolarHBondContact OG1-O 3.1Å; T246-N266 VanDerWaalsContact OG1-O 3.13Å; T246-V267 HydrophobicContact CG2-CG1 4.44Å; T246-M270 WeakPolarHBondContact O-CE 3.47Å | ||
| 247 | D | 89.8 | Confident | 86.6 | Confident | 97 Ų | 97 | 94.4 Ų | 94.4 | 52% | 0.519 | 50% | 0.501 | S | S | . | . | trans | -77.6 | 98.9 | 175.8 | -174.7 | -17.3 | 0 | 0 | 0 | 110.9 | D245 A249 D250 C251 | D245-D247 PolarHBondContact O-N 3.43Å; D247-A249 VanDerWaalsContact C-N 3.27Å; D247-A249 PolarHBondContact O-N 2.55Å; D247-A249 WeakPolarHBondContact OD1-CB 3.27Å; D247-A249 PolarHBondContact OD1-N 3.29Å; D247-D250 HydrophobicContact CB-CB 4.06Å; D247-D250 PolarHBondContact O-N 3.23Å; D247-D250 PolarHBondContact OD1-N 3.44Å; D247-D250 VanDerWaalsContact OD1-N 3.09Å; D247-C251 PolarHBondContact O-N 3.2Å; D247-C251 PolarHBondContact O-SG 3.16Å; D247-C251 VanDerWaalsContact O-SG 3.35Å | ||
| 248 | V | 89.6 | Confident | 87.2 | Confident | 8 Ų | 8 | 88.7 Ų | 88.7 | 5% | 0.048 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -62 | -33.1 | -179.5 | 179.4 | 0 | 0 | 0 | 0 | 112.5 | T246 T252 V267 M270 L273 L281 | T246-V248 PolarHBondContact O-N 3.16Å; T246-V248 VanDerWaalsContact O-N 3.16Å; V248-T252 VanDerWaalsContact O-CB 3.32Å; V248-T252 WeakPolarHBondContact O-CB 3.3Å; V248-T252 PolarHBondContact O-N 2.88Å; V248-T252 PolarHBondContact O-OG1 3.17Å; V248-V267 HydrophobicContact CG2-CG1 3.76Å; V248-M270 HydrophobicContact CG2-CE 4.02Å; V248-M270 HydrophobicContact CG2-SD 4.23Å; V248-L273 HydrophobicContact CB-CD2 3.97Å; V248-L273 HydrophobicContact CG1-CD2 4.28Å; V248-L273 HydrophobicContact CG2-CD1 3.81Å; V248-L273 HydrophobicContact CG2-CD2 3.49Å; V248-L273 VanDerWaalsContact CG2-CD2 3.49Å; V248-L273 HydrophobicContact CG2-CG 4.29Å; V248-L281 HydrophobicContact CG1-CB 4.45Å; V248-L281 HydrophobicContact CG1-CD1 4.4Å; V248-L281 HydrophobicContact CG1-CD2 4.29Å |
| 249 | A | 90.8 | Very high | 87.9 | Confident | 69 Ų | 69 | 83.9 Ų | 83.9 | 57% | 0.57 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -71.1 | -41.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | D247 T252 R253 | D247-A249 VanDerWaalsContact C-N 3.27Å; D247-A249 PolarHBondContact O-N 2.55Å; D247-A249 WeakPolarHBondContact OD1-CB 3.27Å; D247-A249 PolarHBondContact OD1-N 3.29Å; A249-T252 PolarHBondContact O-N 3.06Å; A249-R253 PolarHBondContact O-N 3.4Å |
| 250 | D | 91.7 | Very high | 88.5 | Confident | 28 Ų | 28 | 82.4 Ų | 82.4 | 15% | 0.15 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -65.3 | -46.7 | 173.7 | -173.3 | 45.7 | 0 | 0 | 0 | 111.6 | D247 T252 R253 R254 | D247-D250 HydrophobicContact CB-CB 4.06Å; D247-D250 PolarHBondContact O-N 3.23Å; D247-D250 PolarHBondContact OD1-N 3.44Å; D247-D250 VanDerWaalsContact OD1-N 3.09Å; D250-T252 VanDerWaalsContact C-N 3.32Å; D250-T252 PolarHBondContact O-N 3.48Å; D250-R253 WeakPolarHBondContact O-CB 3.26Å; D250-R253 PolarHBondContact O-N 2.99Å; D250-R253 VanDerWaalsContact O-N 3.14Å; D250-R253 IonicContact OD1-CZ 3.42Å; D250-R253 IonicContact OD1-NE 2.64Å; D250-R253 IonicContact OD1-NH2 2.62Å; D250-R253 PolarHBondContact OD1-NH2 3.29Å; D250-R254 WeakPolarHBondContact O-CG 3.48Å; D250-R254 PolarHBondContact O-N 3.41Å; D250-R254 IonicContact OD1-NE 3.38Å; D250-R254 PolarHBondContact OD1-NE 2.94Å; D250-R254 IonicContact OD2-CZ 3.11Å; D250-R254 IonicContact OD2-NE 2.83Å; D250-R254 PolarHBondContact OD2-NE 3.41Å; D250-R254 IonicContact OD2-NH2 2.73Å; D250-R254 PolarHBondContact OD2-NH2 2.9Å |
| 251 | C | 92.6 | Very high | 89.1 | Confident | 13 Ų | 13 | 76.7 Ų | 76.7 | 9% | 0.088 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -55.3 | -47.6 | 175 | -71.9 | 0 | 0 | 0 | 0 | 111.4 | D247 R253 R254 L255 L281 | D247-C251 PolarHBondContact O-N 3.2Å; D247-C251 PolarHBondContact O-SG 3.16Å; D247-C251 VanDerWaalsContact O-SG 3.35Å; C251-R253 VanDerWaalsContact C-N 3.31Å; C251-R253 PolarHBondContact O-N 3.49Å; C251-R254 PolarHBondContact O-N 3.46Å; C251-L255 WeakPolarHBondContact O-CB 3.28Å; C251-L255 VanDerWaalsContact O-CG 3.24Å; C251-L255 WeakPolarHBondContact O-CG 3.36Å; C251-L255 PolarHBondContact O-N 3.36Å; C251-L281 HydrophobicContact CB-CD1 4.16Å |
| 252 | T | 93.3 | Very high | 89.7 | Confident | 10 Ų | 10 | 70.1 Ų | 70.1 | 6% | 0.061 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -60.9 | -40.8 | 179 | -55.3 | 0 | 0 | 0 | 0 | 111.5 | V248 A249 D250 R256 A280 L281 A284 | V248-T252 VanDerWaalsContact O-CB 3.32Å; V248-T252 WeakPolarHBondContact O-CB 3.3Å; V248-T252 PolarHBondContact O-N 2.88Å; V248-T252 PolarHBondContact O-OG1 3.17Å; A249-T252 PolarHBondContact O-N 3.06Å; D250-T252 VanDerWaalsContact C-N 3.32Å; D250-T252 PolarHBondContact O-N 3.48Å; T252-R256 VanDerWaalsContact CG2-NH1 3.32Å; T252-R256 WeakPolarHBondContact O-CG 3.34Å; T252-R256 PolarHBondContact O-N 2.88Å; T252-R256 VanDerWaalsContact O-N 3.15Å; T252-A280 HydrophobicContact CG2-CB 4.46Å; T252-L281 WeakPolarHBondContact OG1-CD1 3.39Å; T252-A284 HydrophobicContact CG2-CB 3.71Å |
| 253 | R | 93.9 | Very high | 90.4 | Very high | 166 Ų | 166 | 67.4 Ų | 67.4 | 63% | 0.626 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -64.8 | -46.4 | 176.3 | -179.1 | 179.9 | 63.4 | -159.1 | 2 | 112 | A249 D250 C251 R256 A257 | A249-R253 PolarHBondContact O-N 3.4Å; D250-R253 WeakPolarHBondContact O-CB 3.26Å; D250-R253 PolarHBondContact O-N 2.99Å; D250-R253 VanDerWaalsContact O-N 3.14Å; D250-R253 IonicContact OD1-CZ 3.42Å; D250-R253 IonicContact OD1-NE 2.64Å; D250-R253 IonicContact OD1-NH2 2.62Å; D250-R253 PolarHBondContact OD1-NH2 3.29Å; C251-R253 VanDerWaalsContact C-N 3.31Å; C251-R253 PolarHBondContact O-N 3.49Å; R253-R256 PolarHBondContact O-N 2.98Å; R253-A257 PolarHBondContact O-N 3.03Å |
| 254 | R | 93 | Very high | 91 | Very high | 98 Ų | 98 | 65.3 Ų | 65.3 | 37% | 0.37 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65.8 | -39.4 | -179.9 | -69.4 | -170.9 | -162.4 | -164.5 | 11.3 | 112.5 | D250 C251 A257 N258 D259 L262 | D250-R254 WeakPolarHBondContact O-CG 3.48Å; D250-R254 PolarHBondContact O-N 3.41Å; D250-R254 IonicContact OD1-NE 3.38Å; D250-R254 PolarHBondContact OD1-NE 2.94Å; D250-R254 IonicContact OD2-CZ 3.11Å; D250-R254 IonicContact OD2-NE 2.83Å; D250-R254 PolarHBondContact OD2-NE 3.41Å; D250-R254 IonicContact OD2-NH2 2.73Å; D250-R254 PolarHBondContact OD2-NH2 2.9Å; C251-R254 PolarHBondContact O-N 3.46Å; R254-A257 CarbonylContact O-C 3.59Å; R254-A257 PolarHBondContact O-N 2.64Å; R254-N258 PolarHBondContact O-N 3.34Å; R254-N258 VanDerWaalsContact O-N 3.14Å; R254-D259 HydrophobicContact CB-CB 4.08Å; R254-D259 PolarHBondContact O-N 2.83Å; R254-D259 VanDerWaalsContact O-N 3.1Å; R254-L262 HydrophobicContact CB-CD2 3.87Å |
| 255 | L | 93.1 | Very high | 91.4 | Very high | 1 Ų | 1 | 63.7 Ų | 63.7 | 1% | 0.005 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.2 | -44.2 | 174.4 | -72.9 | 170.3 | 0 | 0 | 0 | 111.6 | C251 A257 N258 L262 V265 L281 A284 A285 L291 | C251-L255 WeakPolarHBondContact O-CB 3.28Å; C251-L255 VanDerWaalsContact O-CG 3.24Å; C251-L255 WeakPolarHBondContact O-CG 3.36Å; C251-L255 PolarHBondContact O-N 3.36Å; L255-A257 VanDerWaalsContact C-N 3.29Å; L255-A257 PolarHBondContact O-N 3.48Å; L255-N258 PolarHBondContact O-N 3.04Å; L255-N258 VanDerWaalsContact O-N 3.08Å; L255-L262 HydrophobicContact CD2-CD2 3.85Å; L255-L262 HydrophobicContact CG-CD2 3.77Å; L255-V265 HydrophobicContact CD1-CG2 4.23Å; L255-V265 HydrophobicContact CD2-CG2 4.3Å; L255-L281 HydrophobicContact CD1-CD1 3.73Å; L255-A284 HydrophobicContact CB-CB 3.88Å; L255-A284 HydrophobicContact CD1-CB 4.41Å; L255-A285 HydrophobicContact CD1-CB 4.02Å; L255-L291 HydrophobicContact CD2-CB 4.38Å; L255-L291 HydrophobicContact CD2-CD1 4.28Å; L255-L291 HydrophobicContact CD2-CD2 4.18Å |
| 256 | R | 93.1 | Very high | 92 | Very high | 145 Ų | 145 | 58.8 Ų | 58.8 | 55% | 0.547 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.1 | -31.5 | 174.7 | -71.6 | -175.8 | -172.4 | 124 | 3.2 | 113.4 | T252 R253 N258 A284 | T252-R256 VanDerWaalsContact CG2-NH1 3.32Å; T252-R256 WeakPolarHBondContact O-CG 3.34Å; T252-R256 PolarHBondContact O-N 2.88Å; T252-R256 VanDerWaalsContact O-N 3.15Å; R253-R256 PolarHBondContact O-N 2.98Å; R256-N258 PolarHBondContact O-N 3.41Å; R256-A284 HydrophobicContact CG-CB 3.66Å |
| 257 | A | 92.4 | Very high | 92.2 | Very high | 77 Ų | 77 | 57 Ų | 57 | 64% | 0.636 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | R253 R254 L255 D259 | R253-A257 PolarHBondContact O-N 3.03Å; R254-A257 CarbonylContact O-C 3.59Å; R254-A257 PolarHBondContact O-N 2.64Å; L255-A257 VanDerWaalsContact C-N 3.29Å; L255-A257 PolarHBondContact O-N 3.48Å; A257-D259 VanDerWaalsContact C-N 3.32Å; A257-D259 PolarHBondContact O-N 3.38Å |
| 258 | N | 90.2 | Very high | 92.3 | Very high | 48 Ų | 48 | 53.8 Ų | 53.8 | 26% | 0.257 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.1 | 48.1 | -174 | -158.6 | 16.4 | 0 | 0 | 0 | 112.9 | R254 L255 R256 S260 S288 D289 H290 | R254-N258 PolarHBondContact O-N 3.34Å; R254-N258 VanDerWaalsContact O-N 3.14Å; L255-N258 PolarHBondContact O-N 3.04Å; L255-N258 VanDerWaalsContact O-N 3.08Å; R256-N258 PolarHBondContact O-N 3.41Å; N258-S260 PolarHBondContact O-N 3.03Å; N258-S288 WeakPolarHBondContact OD1-CA 3.38Å; N258-S288 PolarHBondContact OD1-OG 3.35Å; N258-D289 PolarHBondContact ND2-OD2 3.48Å; N258-D289 PolarHBondContact OD1-N 3.41Å; N258-H290 PolarHBondContact OD1-CD2 2.95Å |
| 259 | D | 91.7 | Very high | 92.2 | Very high | 49 Ų | 49 | 57.8 Ų | 57.8 | 26% | 0.262 | 31% | 0.312 | S | S | . | . | trans | -66.7 | 117.1 | 179.8 | -174.2 | -7.9 | 0 | 0 | 0 | 111.4 | R254 A257 S261 L262 | R254-D259 HydrophobicContact CB-CB 4.08Å; R254-D259 PolarHBondContact O-N 2.83Å; R254-D259 VanDerWaalsContact O-N 3.1Å; A257-D259 VanDerWaalsContact C-N 3.32Å; A257-D259 PolarHBondContact O-N 3.38Å; D259-S261 PolarHBondContact O-N 3.14Å; D259-S261 VanDerWaalsContact O-N 3.14Å; D259-S261 WeakPolarHBondContact OD1-CB 3.06Å; D259-S261 PolarHBondContact OD1-N 3.11Å; D259-S261 PolarHBondContact OD1-OG 3.49Å; D259-S261 PolarHBondContact OD2-OG 3.28Å; D259-L262 PolarHBondContact O-N 2.95Å | ||
| 260 | S | 90.6 | Very high | 92.1 | Very high | 85 Ų | 85 | 55.5 Ų | 55.5 | 59% | 0.594 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -18.1 | 177.5 | 62.5 | 0 | 0 | 0 | 0 | 115 | N258 H290 | N258-S260 PolarHBondContact O-N 3.03Å; S260-H290 VanDerWaalsContact CA-CD2 3.47Å; S260-H290 WeakPolarHBondContact CA-CD2 3.47Å |
| 261 | S | 91.7 | Very high | 91.4 | Very high | 76 Ų | 76 | 61 Ų | 61 | 53% | 0.531 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -21.4 | 179.3 | 70.6 | 0 | 0 | 0 | 0 | 113.6 | D259 T263 | D259-S261 PolarHBondContact O-N 3.14Å; D259-S261 VanDerWaalsContact O-N 3.14Å; D259-S261 WeakPolarHBondContact OD1-CB 3.06Å; D259-S261 PolarHBondContact OD1-N 3.11Å; D259-S261 PolarHBondContact OD1-OG 3.49Å; D259-S261 PolarHBondContact OD2-OG 3.28Å; S261-T263 PolarHBondContact O-N 2.93Å |
| 262 | L | 91.1 | Very high | 90.9 | Very high | 24 Ų | 24 | 65.6 Ų | 65.6 | 13% | 0.126 | 35% | 0.345 | C | S | . | . | trans | -93.6 | 87.4 | -176.2 | -174.4 | 65.1 | 0 | 0 | 0 | 110.8 | R254 L255 D259 E264 V265 | R254-L262 HydrophobicContact CB-CD2 3.87Å; L255-L262 HydrophobicContact CD2-CD2 3.85Å; L255-L262 HydrophobicContact CG-CD2 3.77Å; D259-L262 PolarHBondContact O-N 2.95Å; L262-E264 WeakPolarHBondContact CD1-O 3.3Å; L262-V265 HydrophobicContact CD1-CG2 4.05Å; L262-V265 HydrophobicContact CD2-CG2 3.9Å; L262-V265 HydrophobicContact CG-CG2 3.95Å | ||
| 263 | T | 92.9 | Very high | 90.4 | Very high | 63 Ų | 63 | 66.3 Ų | 66.3 | 39% | 0.387 | 35% | 0.348 | S | S | . | . | trans | -93.3 | -22.9 | 179.7 | 56.6 | 0 | 0 | 0 | 0 | 113.7 | S261 Q292 V293 | S261-T263 PolarHBondContact O-N 2.93Å; T263-Q292 PolarHBondContact O-N 3.47Å; T263-V293 PolarHBondContact O-N 3.33Å; T263-V293 VanDerWaalsContact O-N 3.09Å | ||
| 264 | E | 94.2 | Very high | 90.1 | Very high | 88 Ų | 88 | 60.8 Ų | 60.8 | 41% | 0.411 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 132.4 | -178.4 | 176.5 | 168.5 | -169.6 | 0 | 0 | 110.4 | L262 V293 K295 | L262-E264 WeakPolarHBondContact CD1-O 3.3Å; E264-V293 WeakPolarHBondContact CA-O 3.5Å; E264-V293 HydrophobicContact CB-CB 4.06Å; E264-V293 HydrophobicContact CG-CB 3.88Å; E264-V293 HydrophobicContact CG-CG1 3.9Å; E264-K295 WeakPolarHBondContact OE1-CE 3.47Å; E264-K295 IonicContact OE1-NZ 3.51Å; E264-K295 PolarHBondContact OE1-NZ 3.41Å |
| 265 | V | 94 | Very high | 89.9 | Confident | 2 Ų | 2 | 63.9 Ų | 63.9 | 1% | 0.012 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 119.2 | 172.9 | 174.1 | 0 | 0 | 0 | 0 | 108.2 | L255 L262 V267 L281 L291 V293 L294 K295 | L255-V265 HydrophobicContact CD1-CG2 4.23Å; L255-V265 HydrophobicContact CD2-CG2 4.3Å; L262-V265 HydrophobicContact CD1-CG2 4.05Å; L262-V265 HydrophobicContact CD2-CG2 3.9Å; L262-V265 HydrophobicContact CG-CG2 3.95Å; V265-V267 HydrophobicContact CG1-CG1 4.41Å; V265-L281 HydrophobicContact CG1-CD1 4.33Å; V265-L281 HydrophobicContact CG1-CD2 4.33Å; V265-L291 HydrophobicContact CB-CD1 4.06Å; V265-L291 HydrophobicContact CG2-CD1 3.63Å; V265-V293 PolarHBondContact N-O 2.97Å; V265-L294 HydrophobicContact CB-CD1 4.05Å; V265-L294 HydrophobicContact CG1-CD1 4.03Å; V265-K295 PolarHBondContact O-N 3.49Å |
| 266 | N | 94.1 | Very high | 89.7 | Confident | 50 Ų | 50 | 71.6 Ų | 71.6 | 27% | 0.267 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 109.2 | -178.2 | -178.5 | 3.6 | 0 | 0 | 0 | 110.8 | N244 T246 N268 K295 | N244-N266 PolarHBondContact ND2-O 2.62Å; T246-N266 WeakPolarHBondContact CB-O 3.23Å; T246-N266 PolarHBondContact OG1-O 3.1Å; T246-N266 VanDerWaalsContact OG1-O 3.13Å; N266-N268 VanDerWaalsContact OD1-CB 3.24Å; N266-N268 WeakPolarHBondContact OD1-CB 3.43Å; N266-N268 PolarHBondContact OD1-N 3.45Å; N266-N268 PolarHBondContact OD1-ND2 3.39Å; N266-K295 HydrophobicContact CB-CB 4.42Å; N266-K295 HydrophobicContact CB-CD 4.43Å |
| 267 | V | 92.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 38% | 0.376 | C | S | . | . | trans | -117.8 | 27 | 176.1 | -63 | 0 | 0 | 0 | 0 | 111.6 | T246 V248 V265 M270 L273 L281 K295 L296 T299 | T246-V267 HydrophobicContact CG2-CG1 4.44Å; V248-V267 HydrophobicContact CG2-CG1 3.76Å; V265-V267 HydrophobicContact CG1-CG1 4.41Å; V267-M270 HydrophobicContact CB-SD 3.94Å; V267-M270 HydrophobicContact CG1-SD 4.15Å; V267-M270 WeakPolarHBondContact O-CB 3.42Å; V267-M270 PolarHBondContact O-N 2.96Å; V267-L273 HydrophobicContact CB-CD1 4.23Å; V267-L281 HydrophobicContact CG1-CD2 3.96Å; V267-L281 HydrophobicContact CG2-CD2 4.09Å; V267-K295 WeakPolarHBondContact CG2-O 3.48Å; V267-K295 PolarHBondContact N-O 3.47Å; V267-L296 HydrophobicContact CG2-CD2 3.23Å; V267-L296 HydrophobicContact CG2-CG 4.08Å; V267-T299 HydrophobicContact CG2-CG2 4.4Å; V267-T299 WeakPolarHBondContact O-CG2 3.37Å | ||
| 268 | N | 92.2 | Very high | 89.6 | Confident | 30 Ų | 30 | 65.3 Ų | 65.3 | 16% | 0.16 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | 143.9 | 178.5 | -71.4 | -6.7 | 0 | 0 | 0 | 111.8 | N244 N266 M270 K295 L296 A297 | N244-N268 PolarHBondContact ND2-N 2.99Å; N244-N268 PolarHBondContact ND2-O 3.44Å; N266-N268 VanDerWaalsContact OD1-CB 3.24Å; N266-N268 WeakPolarHBondContact OD1-CB 3.43Å; N266-N268 PolarHBondContact OD1-N 3.45Å; N266-N268 PolarHBondContact OD1-ND2 3.39Å; N268-M270 PolarHBondContact O-N 3.42Å; N268-M270 VanDerWaalsContact O-N 3.11Å; N268-K295 VanDerWaalsContact OD1-CB 3.28Å; N268-K295 WeakPolarHBondContact OD1-CB 3.11Å; N268-K295 PolarHBondContact OD1-O 3.06Å; N268-L296 PolarHBondContact OD1-N 2.64Å; N268-A297 WeakPolarHBondContact CA-O 3.4Å; N268-A297 HydrophobicContact CB-CB 4.4Å; N268-A297 WeakPolarHBondContact OD1-CB 3.22Å; N268-A297 PolarHBondContact OD1-N 3.32Å |
| 269 | N | 88.7 | Confident | 89.8 | Confident | 92 Ų | 92 | 68.4 Ų | 68.4 | 49% | 0.492 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.1 | 11.2 | 176.7 | -59 | -48.2 | 0 | 0 | 0 | 115.6 | K271 A297 N298 | N269-K271 PolarHBondContact O-N 3.03Å; N269-K271 VanDerWaalsContact O-N 3.16Å; N269-A297 PolarHBondContact N-O 2.66Å; N269-N298 WeakPolarHBondContact OD1-CB 3.48Å; N269-N298 PolarHBondContact OD1-ND2 3.5Å |
| 270 | M | 86.7 | Confident | 89.8 | Confident | 20 Ų | 20 | 67.2 Ų | 67.2 | 10% | 0.099 | 35% | 0.352 | C | S | . | . | trans | -87.6 | 77.7 | 178.5 | -62.3 | -175 | 74.3 | 0 | 0 | 111.8 | N244 T246 V248 V267 N268 S272 L273 | N244-M270 HydrophobicContact CB-CG 3.95Å; N244-M270 HydrophobicContact CB-SD 4.36Å; T246-M270 WeakPolarHBondContact O-CE 3.47Å; V248-M270 HydrophobicContact CG2-CE 4.02Å; V248-M270 HydrophobicContact CG2-SD 4.23Å; V267-M270 HydrophobicContact CB-SD 3.94Å; V267-M270 HydrophobicContact CG1-SD 4.15Å; V267-M270 WeakPolarHBondContact O-CB 3.42Å; V267-M270 PolarHBondContact O-N 2.96Å; N268-M270 PolarHBondContact O-N 3.42Å; N268-M270 VanDerWaalsContact O-N 3.11Å; M270-S272 PolarHBondContact O-N 3.16Å; M270-L273 HydrophobicContact CB-CD1 3.66Å; M270-L273 HydrophobicContact CB-CG 3.92Å; M270-L273 HydrophobicContact CE-CD1 4.37Å; M270-L273 HydrophobicContact CE-CD2 4.12Å; M270-L273 HydrophobicContact CE-CG 4.32Å; M270-L273 HydrophobicContact SD-CD1 4.22Å | ||
| 271 | K | 78.5 | Confident | 89.9 | Confident | 143 Ų | 143 | 63.2 Ų | 63.2 | 62% | 0.622 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -12.3 | 178.1 | -61.8 | -177.9 | -177.6 | -178.6 | 0 | 114.2 | N269 L273 N298 | N269-K271 PolarHBondContact O-N 3.03Å; N269-K271 VanDerWaalsContact O-N 3.16Å; K271-L273 VanDerWaalsContact C-N 3.28Å; K271-N298 WeakPolarHBondContact CE-OD1 3.46Å; K271-N298 PolarHBondContact NZ-OD1 3Å |
| 272 | S | 80.7 | Confident | 90 | Very high | 110 Ų | 110 | 59.7 Ų | 59.7 | 77% | 0.769 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -12.4 | 179.5 | 54.3 | 0 | 0 | 0 | 0 | 113.6 | M270 | M270-S272 PolarHBondContact O-N 3.16Š|
| 273 | L | 83.4 | Confident | 90.1 | Very high | 26 Ų | 26 | 63.8 Ų | 63.8 | 14% | 0.136 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -68.7 | 135.8 | -178.3 | -65.7 | 172.9 | 0 | 0 | 0 | 111.2 | V248 V267 M270 K271 L278 | V248-L273 HydrophobicContact CB-CD2 3.97Å; V248-L273 HydrophobicContact CG1-CD2 4.28Å; V248-L273 HydrophobicContact CG2-CD1 3.81Å; V248-L273 HydrophobicContact CG2-CD2 3.49Å; V248-L273 VanDerWaalsContact CG2-CD2 3.49Å; V248-L273 HydrophobicContact CG2-CG 4.29Å; V267-L273 HydrophobicContact CB-CD1 4.23Å; M270-L273 HydrophobicContact CB-CD1 3.66Å; M270-L273 HydrophobicContact CB-CG 3.92Å; M270-L273 HydrophobicContact CE-CD1 4.37Å; M270-L273 HydrophobicContact CE-CD2 4.12Å; M270-L273 HydrophobicContact CE-CG 4.32Å; M270-L273 HydrophobicContact SD-CD1 4.22Å; K271-L273 VanDerWaalsContact C-N 3.28Å; L273-L278 HydrophobicContact CB-CD2 4.49Å; L273-L278 HydrophobicContact CB-CG 4.17Å; L273-L278 HydrophobicContact CD1-CD2 3.89Å; L273-L278 HydrophobicContact CD1-CG 4.45Å |
| 274 | S | 88.4 | Confident | 90.1 | Very high | 50 Ų | 50 | 60.9 Ų | 60.9 | 35% | 0.35 | 30% | 0.299 | S | S | . | . | trans | -69.6 | 151.6 | 170.8 | 69.1 | 0 | 0 | 0 | 0 | 110.1 | E276 E277 L278 | S274-E276 PolarHBondContact O-N 2.97Å; S274-E277 WeakPolarHBondContact CB-OE2 3.49Å; S274-E277 PolarHBondContact N-OE2 3.12Å; S274-E277 PolarHBondContact O-N 3.45Å; S274-E277 WeakPolarHBondContact OG-CB 3.43Å; S274-E277 WeakPolarHBondContact OG-CG 3.45Å; S274-E277 PolarHBondContact OG-N 3.46Å; S274-E277 PolarHBondContact OG-OE2 2.99Å; S274-L278 PolarHBondContact O-N 3.33Å; S274-L278 VanDerWaalsContact O-N 3.16Å | ||
| 275 | R | 87.5 | Confident | 90 | Very high | 163 Ų | 163 | 56.8 Ų | 56.8 | 62% | 0.615 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -61.9 | -31.3 | 177.4 | -62.9 | -178.7 | -126.3 | 178.4 | 1.3 | 111.9 | L278 R279 D305 | R275-L278 PolarHBondContact O-N 3.23Å; R275-R279 VanDerWaalsContact O-CG 3.29Å; R275-R279 WeakPolarHBondContact O-CG 3.06Å; R275-R279 PolarHBondContact O-N 3.4Å; R275-D305 WeakPolarHBondContact CD-OD2 3.16Å |
| 276 | E | 90.4 | Very high | 89.9 | Confident | 162 Ų | 162 | 56.9 Ų | 56.9 | 76% | 0.757 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -67.2 | -41.8 | 176.8 | -66.3 | 179.6 | -173.3 | 0 | 0 | 111.9 | S274 R279 A280 | S274-E276 PolarHBondContact O-N 2.97Å; E276-R279 PolarHBondContact O-N 3.01Å; E276-A280 VanDerWaalsContact O-CB 3.23Å; E276-A280 WeakPolarHBondContact O-CB 3.29Å; E276-A280 PolarHBondContact O-N 3.34Å |
| 277 | E | 91.5 | Very high | 89.6 | Confident | 87 Ų | 87 | 57.6 Ų | 57.6 | 41% | 0.407 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.1 | -41.5 | 175.1 | -73.4 | 162.8 | 145 | 0 | 0 | 111.8 | S274 A280 L281 | S274-E277 WeakPolarHBondContact CB-OE2 3.49Å; S274-E277 PolarHBondContact N-OE2 3.12Å; S274-E277 PolarHBondContact O-N 3.45Å; S274-E277 WeakPolarHBondContact OG-CB 3.43Å; S274-E277 WeakPolarHBondContact OG-CG 3.45Å; S274-E277 PolarHBondContact OG-N 3.46Å; S274-E277 PolarHBondContact OG-OE2 2.99Å; E277-A280 PolarHBondContact O-N 3.15Å; E277-L281 VanDerWaalsContact O-CB 3.31Å; E277-L281 WeakPolarHBondContact O-CB 3.4Å; E277-L281 PolarHBondContact O-N 2.82Å |
| 278 | L | 91.9 | Very high | 89.5 | Confident | 4 Ų | 4 | 57.7 Ų | 57.7 | 2% | 0.021 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.2 | -45.7 | 175.5 | -75.9 | 171.4 | 0 | 0 | 0 | 111.8 | L273 S274 R275 L281 I282 L296 | L273-L278 HydrophobicContact CB-CD2 4.49Å; L273-L278 HydrophobicContact CB-CG 4.17Å; L273-L278 HydrophobicContact CD1-CD2 3.89Å; L273-L278 HydrophobicContact CD1-CG 4.45Å; S274-L278 PolarHBondContact O-N 3.33Å; S274-L278 VanDerWaalsContact O-N 3.16Å; R275-L278 PolarHBondContact O-N 3.23Å; L278-L281 PolarHBondContact O-N 3.15Å; L278-I282 VanDerWaalsContact O-CG1 3.28Å; L278-I282 WeakPolarHBondContact O-CG1 3.1Å; L278-I282 PolarHBondContact O-N 2.63Å; L278-L296 HydrophobicContact CD2-CD2 4.1Å |
| 279 | R | 92.7 | Very high | 89.3 | Confident | 112 Ų | 112 | 60.6 Ų | 60.6 | 42% | 0.423 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.7 | -45.1 | 176.4 | -70.2 | 176.7 | 83.6 | 166.9 | 7 | 111.4 | R275 E276 L281 I282 E283 D305 | R275-R279 VanDerWaalsContact O-CG 3.29Å; R275-R279 WeakPolarHBondContact O-CG 3.06Å; R275-R279 PolarHBondContact O-N 3.4Å; E276-R279 PolarHBondContact O-N 3.01Å; R279-L281 VanDerWaalsContact C-N 3.3Å; R279-L281 PolarHBondContact O-N 3.31Å; R279-I282 PolarHBondContact O-N 3.29Å; R279-E283 WeakPolarHBondContact O-CB 3.39Å; R279-E283 WeakPolarHBondContact O-CG 3.4Å; R279-E283 PolarHBondContact O-N 3.06Å; R279-D305 HydrophobicContact CG-CB 4.03Å |
| 280 | A | 92.9 | Very high | 89.5 | Confident | 25 Ų | 25 | 59.9 Ų | 59.9 | 21% | 0.207 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.5 | -37.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | T252 E276 E277 A284 | T252-A280 HydrophobicContact CG2-CB 4.46Å; E276-A280 VanDerWaalsContact O-CB 3.23Å; E276-A280 WeakPolarHBondContact O-CB 3.29Å; E276-A280 PolarHBondContact O-N 3.34Å; E277-A280 PolarHBondContact O-N 3.15Å; A280-A284 WeakPolarHBondContact O-CB 3.4Å; A280-A284 PolarHBondContact O-N 3.22Å |
| 281 | L | 93.5 | Very high | 89.8 | Confident | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66 | -46.2 | 174.9 | -178.6 | 71.1 | 0 | 0 | 0 | 111.1 | V248 C251 T252 L255 V265 V267 E277 L278 R279 A284 A285 L296 | V248-L281 HydrophobicContact CG1-CB 4.45Å; V248-L281 HydrophobicContact CG1-CD1 4.4Å; V248-L281 HydrophobicContact CG1-CD2 4.29Å; C251-L281 HydrophobicContact CB-CD1 4.16Å; T252-L281 WeakPolarHBondContact OG1-CD1 3.39Å; L255-L281 HydrophobicContact CD1-CD1 3.73Å; V265-L281 HydrophobicContact CG1-CD1 4.33Å; V265-L281 HydrophobicContact CG1-CD2 4.33Å; V267-L281 HydrophobicContact CG1-CD2 3.96Å; V267-L281 HydrophobicContact CG2-CD2 4.09Å; E277-L281 VanDerWaalsContact O-CB 3.31Å; E277-L281 WeakPolarHBondContact O-CB 3.4Å; E277-L281 PolarHBondContact O-N 2.82Å; L278-L281 PolarHBondContact O-N 3.15Å; R279-L281 VanDerWaalsContact C-N 3.3Å; R279-L281 PolarHBondContact O-N 3.31Å; L281-A284 PolarHBondContact O-N 3.18Å; L281-A285 VanDerWaalsContact O-CB 3.3Å; L281-A285 WeakPolarHBondContact O-CB 3.32Å; L281-A285 PolarHBondContact O-N 2.85Å; L281-L296 HydrophobicContact CD2-CD2 4.34Å |
| 282 | I | 93.4 | Very high | 90.6 | Very high | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.8 | -44.9 | 178.5 | -67.7 | 165 | 0 | 0 | 0 | 110.8 | L278 R279 A284 A285 A286 L296 L301 L309 | L278-I282 VanDerWaalsContact O-CG1 3.28Å; L278-I282 WeakPolarHBondContact O-CG1 3.1Å; L278-I282 PolarHBondContact O-N 2.63Å; R279-I282 PolarHBondContact O-N 3.29Å; I282-A284 VanDerWaalsContact C-N 3.34Å; I282-A284 PolarHBondContact O-N 3.3Å; I282-A285 PolarHBondContact O-N 3.44Å; I282-A286 PolarHBondContact O-N 2.9Å; I282-L296 HydrophobicContact CG1-CD1 4.36Å; I282-L301 HydrophobicContact CD1-CD1 4.17Å; I282-L309 HydrophobicContact CD1-CD2 4.43Å; I282-L309 HydrophobicContact CD1-CG 4.2Å; I282-L309 HydrophobicContact CG1-CD2 4.16Å; I282-L309 HydrophobicContact CG1-CG 4.42Å; I282-L309 HydrophobicContact CG2-CD2 3.92Å; I282-L309 HydrophobicContact CG2-CG 4Å |
| 283 | E | 92.4 | Very high | 91.3 | Very high | 111 Ų | 111 | 52 Ų | 52 | 52% | 0.519 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.4 | -40.6 | 175.2 | -73.7 | 173.3 | -168.7 | 0 | 0 | 111.9 | R279 A286 | R279-E283 WeakPolarHBondContact O-CB 3.39Å; R279-E283 WeakPolarHBondContact O-CG 3.4Å; R279-E283 PolarHBondContact O-N 3.06Å; E283-A286 WeakPolarHBondContact O-CB 3.45Å; E283-A286 PolarHBondContact O-N 3.16Å |
| 284 | A | 92.8 | Very high | 91.9 | Very high | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.008 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.7 | -40.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | T252 L255 R256 A280 L281 I282 A286 C287 | T252-A284 HydrophobicContact CG2-CB 3.71Å; L255-A284 HydrophobicContact CB-CB 3.88Å; L255-A284 HydrophobicContact CD1-CB 4.41Å; R256-A284 HydrophobicContact CG-CB 3.66Å; A280-A284 WeakPolarHBondContact O-CB 3.4Å; A280-A284 PolarHBondContact O-N 3.22Å; L281-A284 PolarHBondContact O-N 3.18Å; I282-A284 VanDerWaalsContact C-N 3.34Å; I282-A284 PolarHBondContact O-N 3.3Å; A284-A286 PolarHBondContact O-N 2.9Å; A284-C287 WeakPolarHBondContact O-CB 3.42Å; A284-C287 PolarHBondContact O-N 3.05Å |
| 285 | A | 92.9 | Very high | 92.2 | Very high | 2 Ų | 2 | 51.5 Ų | 51.5 | 2% | 0.017 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.9 | -32.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L255 L281 I282 C287 S288 L291 L312 | L255-A285 HydrophobicContact CD1-CB 4.02Å; L281-A285 VanDerWaalsContact O-CB 3.3Å; L281-A285 WeakPolarHBondContact O-CB 3.32Å; L281-A285 PolarHBondContact O-N 2.85Å; I282-A285 PolarHBondContact O-N 3.44Å; A285-C287 PolarHBondContact O-N 3.25Å; A285-S288 PolarHBondContact O-N 3Å; A285-L291 HydrophobicContact CB-CD2 3.72Å; A285-L312 HydrophobicContact CB-CD1 3.38Å |
| 286 | A | 90.5 | Very high | 92.5 | Very high | 5 Ų | 5 | 43.7 Ų | 43.7 | 4% | 0.041 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -23.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | I282 E283 A284 L312 R315 | I282-A286 PolarHBondContact O-N 2.9Å; E283-A286 WeakPolarHBondContact O-CB 3.45Å; E283-A286 PolarHBondContact O-N 3.16Å; A284-A286 PolarHBondContact O-N 2.9Å; A286-L312 HydrophobicContact CB-CB 3.98Å; A286-L312 HydrophobicContact CB-CD1 4.46Å; A286-L312 HydrophobicContact CB-CG 4.27Å; A286-R315 VanDerWaalsContact CB-NH2 3.29Å; A286-R315 PolarHBondContact O-NE 3.45Å; A286-R315 PolarHBondContact O-NH2 3.44Å |
| 287 | C | 87.7 | Confident | 92.7 | Very high | 65 Ų | 65 | 36.5 Ų | 36.5 | 44% | 0.439 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -11 | -179.6 | -65.8 | 0 | 0 | 0 | 0 | 113.7 | A284 A285 R315 | A284-C287 WeakPolarHBondContact O-CB 3.42Å; A284-C287 PolarHBondContact O-N 3.05Å; A285-C287 PolarHBondContact O-N 3.25Å; C287-R315 PolarHBondContact SG-NH2 2.88Å |
| 288 | S | 89.9 | Confident | 92.7 | Very high | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.014 | 18% | 0.176 | C | C | . | . | trans | -91.8 | 136.1 | -178.1 | -177.4 | 0 | 0 | 0 | 0 | 111.4 | N258 A285 H290 | N258-S288 WeakPolarHBondContact OD1-CA 3.38Å; N258-S288 PolarHBondContact OD1-OG 3.35Å; A285-S288 PolarHBondContact O-N 3Å; S288-H290 PolarHBondContact OG-N 3.35Å | ||
| 289 | D | 89.5 | Confident | 92.6 | Very high | 91 Ų | 91 | 34.6 Ų | 34.6 | 49% | 0.487 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -95.6 | -3.6 | 175.2 | -58.6 | -47.5 | 0 | 0 | 0 | 112.4 | N258 S318 | N258-D289 PolarHBondContact ND2-OD2 3.48Å; N258-D289 PolarHBondContact OD1-N 3.41Å; D289-S318 VanDerWaalsContact C-OG 3.25Å; D289-S318 WeakPolarHBondContact O-CB 3.23Å; D289-S318 PolarHBondContact O-OG 3.04Å |
| 290 | H | 92.9 | Very high | 92.5 | Very high | 76 Ų | 76 | 31.6 Ų | 31.6 | 35% | 0.352 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -110.8 | -13.2 | -171.9 | -61.3 | -55.2 | 0 | 0 | 0 | 114.2 | N258 S260 S288 Q292 | N258-H290 PolarHBondContact OD1-CD2 2.95Å; S260-H290 VanDerWaalsContact CA-CD2 3.47Å; S260-H290 WeakPolarHBondContact CA-CD2 3.47Å; S288-H290 PolarHBondContact OG-N 3.35Å; H290-Q292 PolarHBondContact O-N 3Å |
| 291 | L | 93.5 | Very high | 92.5 | Very high | 4 Ų | 4 | 30.4 Ų | 30.4 | 2% | 0.021 | 17% | 0.166 | C | C | . | . | trans | -67.5 | 117 | 179.8 | -174.4 | 66.7 | 0 | 0 | 0 | 111.1 | L255 V265 A285 V293 L294 S318 L319 | L255-L291 HydrophobicContact CD2-CB 4.38Å; L255-L291 HydrophobicContact CD2-CD1 4.28Å; L255-L291 HydrophobicContact CD2-CD2 4.18Å; V265-L291 HydrophobicContact CB-CD1 4.06Å; V265-L291 HydrophobicContact CG2-CD1 3.63Å; A285-L291 HydrophobicContact CB-CD2 3.72Å; L291-V293 WeakPolarHBondContact CD1-O 3.46Å; L291-L294 HydrophobicContact CD2-CB 4.29Å; L291-L294 HydrophobicContact CD2-CD1 4.49Å; L291-S318 CarbonylContact O-C 3.55Å; L291-S318 VanDerWaalsContact O-C 3.31Å; L291-S318 PolarHBondContact O-OG 3.15Å; L291-L319 HydrophobicContact CD2-CD1 4.18Å; L291-L319 HydrophobicContact CG-CD1 4.03Å; L291-L319 WeakPolarHBondContact O-CA 3.48Å; L291-L319 PolarHBondContact O-N 3.5Å | ||
| 292 | Q | 94.1 | Very high | 92.4 | Very high | 80 Ų | 80 | 33.5 Ų | 33.5 | 37% | 0.374 | 18% | 0.182 | S | C | . | . | trans | -101.5 | -33.8 | 178.7 | -62.7 | -176.3 | 18.6 | 0 | 0 | 112.2 | T263 H290 K320 N321 | T263-Q292 PolarHBondContact O-N 3.47Å; H290-Q292 PolarHBondContact O-N 3Å; Q292-K320 PolarHBondContact O-N 3.13Å; Q292-N321 PolarHBondContact O-N 3.49Å | ||
| 293 | V | 95.8 | Very high | 92.4 | Very high | 24 Ų | 24 | 36 Ų | 36 | 15% | 0.145 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 121.7 | -172.6 | -178.6 | 0 | 0 | 0 | 0 | 109.9 | T263 E264 V265 L291 K295 N321 | T263-V293 PolarHBondContact O-N 3.33Å; T263-V293 VanDerWaalsContact O-N 3.09Å; E264-V293 WeakPolarHBondContact CA-O 3.5Å; E264-V293 HydrophobicContact CB-CB 4.06Å; E264-V293 HydrophobicContact CG-CB 3.88Å; E264-V293 HydrophobicContact CG-CG1 3.9Å; V265-V293 PolarHBondContact N-O 2.97Å; L291-V293 WeakPolarHBondContact CD1-O 3.46Å; V293-K295 HydrophobicContact CG1-CD 4.18Å; V293-K295 HydrophobicContact CG1-CG 3.98Å; V293-N321 WeakPolarHBondContact CA-O 3.24Å; V293-N321 HydrophobicContact CG1-CB 4.26Å; V293-N321 HydrophobicContact CG2-CB 4.17Å |
| 294 | L | 95.3 | Very high | 92.3 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 118 | 175.4 | -179.6 | 60.7 | 0 | 0 | 0 | 109.9 | V265 L291 L296 L309 L312 L319 N321 L322 N323 | V265-L294 HydrophobicContact CB-CD1 4.05Å; V265-L294 HydrophobicContact CG1-CD1 4.03Å; L291-L294 HydrophobicContact CD2-CB 4.29Å; L291-L294 HydrophobicContact CD2-CD1 4.49Å; L294-L296 HydrophobicContact CD1-CD1 4.27Å; L294-L296 HydrophobicContact CD1-CG 4.28Å; L294-L296 HydrophobicContact CD2-CD1 3.93Å; L294-L296 HydrophobicContact CG-CD1 3.91Å; L294-L296 HydrophobicContact CG-CG 4.26Å; L294-L309 HydrophobicContact CD2-CD2 3.91Å; L294-L312 HydrophobicContact CD2-CD1 4.14Å; L294-L319 HydrophobicContact CB-CD1 3.85Å; L294-N321 PolarHBondContact N-O 3.25Å; L294-L322 HydrophobicContact CB-CD1 4.14Å; L294-L322 HydrophobicContact CD2-CD1 4.01Å; L294-L322 HydrophobicContact CG-CD1 4.16Å; L294-L322 WeakPolarHBondContact O-CA 3.31Å; L294-N323 PolarHBondContact O-N 3.27Å |
| 295 | K | 95.4 | Very high | 92.3 | Very high | 64 Ų | 64 | 34.3 Ų | 34.3 | 28% | 0.278 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 118.6 | -178.3 | -59.1 | 173.1 | 175.5 | 158.3 | 0 | 110.8 | E264 V265 N266 V267 N268 V293 N323 | E264-K295 WeakPolarHBondContact OE1-CE 3.47Å; E264-K295 IonicContact OE1-NZ 3.51Å; E264-K295 PolarHBondContact OE1-NZ 3.41Å; V265-K295 PolarHBondContact O-N 3.49Å; N266-K295 HydrophobicContact CB-CB 4.42Å; N266-K295 HydrophobicContact CB-CD 4.43Å; V267-K295 WeakPolarHBondContact CG2-O 3.48Å; V267-K295 PolarHBondContact N-O 3.47Å; N268-K295 VanDerWaalsContact OD1-CB 3.28Å; N268-K295 WeakPolarHBondContact OD1-CB 3.11Å; N268-K295 PolarHBondContact OD1-O 3.06Å; V293-K295 HydrophobicContact CG1-CD 4.18Å; V293-K295 HydrophobicContact CG1-CG 3.98Å; K295-N323 HydrophobicContact CB-CB 4.28Å; K295-N323 HydrophobicContact CG-CB 4.09Å |
| 296 | L | 94.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | trans | -128.8 | 27.4 | -174 | -67.4 | 157.3 | 0 | 0 | 0 | 111.4 | V267 N268 L278 L281 I282 L294 T299 L309 N323 V324 N327 | V267-L296 HydrophobicContact CG2-CD2 3.23Å; V267-L296 HydrophobicContact CG2-CG 4.08Å; N268-L296 PolarHBondContact OD1-N 2.64Å; L278-L296 HydrophobicContact CD2-CD2 4.1Å; L281-L296 HydrophobicContact CD2-CD2 4.34Å; I282-L296 HydrophobicContact CG1-CD1 4.36Å; L294-L296 HydrophobicContact CD1-CD1 4.27Å; L294-L296 HydrophobicContact CD1-CG 4.28Å; L294-L296 HydrophobicContact CD2-CD1 3.93Å; L294-L296 HydrophobicContact CG-CD1 3.91Å; L294-L296 HydrophobicContact CG-CG 4.26Å; L296-T299 PolarHBondContact O-OG1 3.43Å; L296-L309 HydrophobicContact CD1-CD1 4.43Å; L296-L309 HydrophobicContact CD1-CD2 4.07Å; L296-N323 PolarHBondContact N-O 3.14Å; L296-V324 HydrophobicContact CB-CG1 4.44Å; L296-V324 HydrophobicContact CD1-CG1 4.46Å; L296-N327 PolarHBondContact O-ND2 2.99Å | ||
| 297 | A | 93.4 | Very high | 92.3 | Very high | 10 Ų | 10 | 36.4 Ų | 36.4 | 8% | 0.083 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | 138.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112 | N268 N269 T299 E325 | N268-A297 WeakPolarHBondContact CA-O 3.4Å; N268-A297 HydrophobicContact CB-CB 4.4Å; N268-A297 WeakPolarHBondContact OD1-CB 3.22Å; N268-A297 PolarHBondContact OD1-N 3.32Å; N269-A297 PolarHBondContact N-O 2.66Å; A297-T299 VanDerWaalsContact C-N 3.29Å; A297-T299 PolarHBondContact O-N 2.97Å; A297-E325 CarbonylContact C-O 3.37Å; A297-E325 VanDerWaalsContact CA-O 3.26Å; A297-E325 WeakPolarHBondContact CA-O 3.3Å; A297-E325 HydrophobicContact CB-CB 4.27Å |
| 298 | N | 92 | Very high | 92.5 | Very high | 46 Ų | 46 | 34 Ų | 34 | 25% | 0.246 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 39.1 | 176.4 | -169.7 | 29.9 | 0 | 0 | 0 | 114.2 | N269 K271 E325 S326 | N269-N298 WeakPolarHBondContact OD1-CB 3.48Å; N269-N298 PolarHBondContact OD1-ND2 3.5Å; K271-N298 WeakPolarHBondContact CE-OD1 3.46Å; K271-N298 PolarHBondContact NZ-OD1 3Å; N298-E325 PolarHBondContact N-O 3.06Å; N298-S326 WeakPolarHBondContact CA-O 3.31Å |
| 299 | T | 90.6 | Very high | 92.7 | Very high | 6 Ų | 6 | 34 Ų | 34 | 4% | 0.037 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -100.4 | 6.8 | 178.1 | 54.5 | 0 | 0 | 0 | 0 | 113.2 | V267 L296 A297 L301 N327 | V267-T299 HydrophobicContact CG2-CG2 4.4Å; V267-T299 WeakPolarHBondContact O-CG2 3.37Å; L296-T299 PolarHBondContact O-OG1 3.43Å; A297-T299 VanDerWaalsContact C-N 3.29Å; A297-T299 PolarHBondContact O-N 2.97Å; T299-L301 VanDerWaalsContact C-N 3.3Å; T299-L301 PolarHBondContact O-N 2.79Å; T299-N327 PolarHBondContact N-OD1 3.28Å; T299-N327 VanDerWaalsContact N-OD1 3.09Å; T299-N327 PolarHBondContact OG1-OD1 3.22Å |
| 300 | A | 90.3 | Very high | 92.9 | Very high | 49 Ų | 49 | 31.5 Ų | 31.5 | 41% | 0.405 | 19% | 0.186 | S | C | . | . | trans | 62 | 32.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114 | L302 N327 F328 | A300-L302 PolarHBondContact O-N 2.93Å; A300-N327 PolarHBondContact N-OD1 3.33Å; A300-N327 VanDerWaalsContact N-OD1 3.11Å; A300-F328 HydrophobicContact CB-CD2 4.04Å; A300-F328 HydrophobicContact CB-CE2 3.61Å | ||
| 301 | L | 91.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | trans | -67.1 | 128.9 | -178.8 | -164.9 | 70.4 | 0 | 0 | 0 | 111.8 | I282 T299 D305 A306 L309 N327 F328 L329 | I282-L301 HydrophobicContact CD1-CD1 4.17Å; T299-L301 VanDerWaalsContact C-N 3.3Å; T299-L301 PolarHBondContact O-N 2.79Å; L301-D305 HydrophobicContact CD1-CB 3.85Å; L301-A306 HydrophobicContact CD1-CB 4.47Å; L301-A306 HydrophobicContact CD2-CB 3.67Å; L301-A306 HydrophobicContact CG-CB 3.89Å; L301-L309 HydrophobicContact CD2-CD1 4.03Å; L301-N327 HydrophobicContact CB-CB 4.08Å; L301-N327 PolarHBondContact N-OD1 3.14Å; L301-F328 CarbonylContact O-C 3.53Å; L301-F328 WeakPolarHBondContact O-CA 3.5Å; L301-F328 WeakPolarHBondContact O-CB 3.47Å; L301-F328 PolarHBondContact O-N 3.5Å; L301-L329 HydrophobicContact CD2-CD2 4.29Å; L301-L329 HydrophobicContact CG-CD2 4.35Å | ||
| 302 | L | 92.2 | Very high | 92.8 | Very high | 66 Ų | 66 | 33 Ų | 33 | 35% | 0.346 | 19% | 0.193 | S | C | . | . | B | Isolated β-bridge | trans | -103.3 | 159 | 174 | -66.8 | 164.2 | 0 | 0 | 0 | 110.4 | A300 S304 D305 A306 F328 | A300-L302 PolarHBondContact O-N 2.93Å; L302-S304 PolarHBondContact O-N 3.29Å; L302-S304 VanDerWaalsContact O-N 3.12Å; L302-D305 PolarHBondContact O-N 3.1Å; L302-A306 WeakPolarHBondContact O-CB 3.41Å; L302-A306 PolarHBondContact O-N 3.39Å; L302-F328 HydrophobicContact CD2-CB 3.66Å; L302-F328 HydrophobicContact CD2-CG 4.31Å; L302-F328 HydrophobicContact CG-CB 4.49Å |
| 303 | D | 92.9 | Very high | 92.7 | Very high | 53 Ų | 53 | 29.3 Ų | 29.3 | 28% | 0.283 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -50.9 | -38.3 | 177.3 | -66.1 | 1.9 | 0 | 0 | 0 | 113.6 | D305 A306 A307 L329 S330 F333 | D303-D305 VanDerWaalsContact C-N 3.33Å; D303-D305 PolarHBondContact O-N 2.64Å; D303-A306 PolarHBondContact O-N 3.03Å; D303-A307 PolarHBondContact O-N 3.14Å; D303-L329 VanDerWaalsContact OD1-CA 3.24Å; D303-L329 WeakPolarHBondContact OD1-CA 3.49Å; D303-S330 PolarHBondContact OD1-N 3.17Å; D303-S330 WeakPolarHBondContact OD2-CB 3.23Å; D303-S330 PolarHBondContact OD2-OG 3.22Å; D303-F333 HydrophobicContact CB-CB 4.41Å; D303-F333 HydrophobicContact CB-CD2 4.35Å; D303-F333 HydrophobicContact CB-CG 4.39Å |
| 304 | S | 91.3 | Very high | 92.6 | Very high | 68 Ų | 68 | 31.1 Ų | 31.1 | 48% | 0.476 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -66.8 | -33.8 | 179.6 | 58.3 | 0 | 0 | 0 | 0 | 113.6 | L302 | L302-S304 PolarHBondContact O-N 3.29Å; L302-S304 VanDerWaalsContact O-N 3.12Å |
| 305 | D | 91.2 | Very high | 92.3 | Very high | 9 Ų | 9 | 36.7 Ų | 36.7 | 5% | 0.048 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -86 | -31.7 | -178.5 | -57.5 | -29.8 | 0 | 0 | 0 | 109.9 | R275 R279 L301 L302 D303 A307 | R275-D305 WeakPolarHBondContact CD-OD2 3.16Å; R279-D305 HydrophobicContact CG-CB 4.03Å; L301-D305 HydrophobicContact CD1-CB 3.85Å; L302-D305 PolarHBondContact O-N 3.1Å; D303-D305 VanDerWaalsContact C-N 3.33Å; D303-D305 PolarHBondContact O-N 2.64Å; D305-A307 VanDerWaalsContact C-N 3.32Å; D305-A307 PolarHBondContact O-N 2.95Å |
| 306 | A | 91.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -75.5 | -12.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | L301 L302 D303 G308 L309 L329 F333 | L301-A306 HydrophobicContact CD1-CB 4.47Å; L301-A306 HydrophobicContact CD2-CB 3.67Å; L301-A306 HydrophobicContact CG-CB 3.89Å; L302-A306 WeakPolarHBondContact O-CB 3.41Å; L302-A306 PolarHBondContact O-N 3.39Å; D303-A306 PolarHBondContact O-N 3.03Å; A306-G308 PolarHBondContact O-N 2.74Å; A306-L309 HydrophobicContact CB-CD1 4.23Å; A306-L309 VanDerWaalsContact O-CB 3.25Å; A306-L309 WeakPolarHBondContact O-CB 3.4Å; A306-L309 PolarHBondContact O-N 3.27Å; A306-L329 HydrophobicContact CB-CD2 3.65Å; A306-F333 HydrophobicContact CB-CD1 4.36Å; A306-F333 HydrophobicContact CB-CE1 3.51Å; A306-F333 HydrophobicContact CB-CE2 4.12Å; A306-F333 HydrophobicContact CB-CZ 3.38Å; A306-F333 VanDerWaalsContact O-CZ 3.27Å; A306-F333 WeakPolarHBondContact O-CZ 3.48Å |
| 307 | A | 91.8 | Very high | 91.6 | Very high | 51 Ų | 51 | 37.6 Ų | 37.6 | 42% | 0.421 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -50.3 | -35.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | D303 D305 L309 V310 | D303-A307 PolarHBondContact O-N 3.14Å; D305-A307 VanDerWaalsContact C-N 3.32Å; D305-A307 PolarHBondContact O-N 2.95Å; A307-L309 PolarHBondContact O-N 3.44Å; A307-V310 WeakPolarHBondContact O-CB 3.2Å; A307-V310 PolarHBondContact O-N 3.46Å |
| 308 | G | 91.9 | Very high | 91.5 | Very high | 15 Ų | 15 | 38.2 Ų | 38.2 | 16% | 0.155 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.6 | -21 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | A306 V310 E311 L312 | A306-G308 PolarHBondContact O-N 2.74Å; G308-V310 VanDerWaalsContact C-N 3.3Å; G308-V310 PolarHBondContact O-N 3.37Å; G308-E311 PolarHBondContact O-N 3.17Å; G308-L312 VanDerWaalsContact O-CB 3.29Å; G308-L312 WeakPolarHBondContact O-CB 3.27Å; G308-L312 PolarHBondContact O-N 3.08Å |
| 309 | L | 94 | Very high | 91.6 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.8 | -31.8 | 175.8 | -68.4 | 173.9 | 0 | 0 | 0 | 111.9 | I282 L294 L296 L301 A306 A307 L312 L313 L322 V324 L337 | I282-L309 HydrophobicContact CD1-CD2 4.43Å; I282-L309 HydrophobicContact CD1-CG 4.2Å; I282-L309 HydrophobicContact CG1-CD2 4.16Å; I282-L309 HydrophobicContact CG1-CG 4.42Å; I282-L309 HydrophobicContact CG2-CD2 3.92Å; I282-L309 HydrophobicContact CG2-CG 4Å; L294-L309 HydrophobicContact CD2-CD2 3.91Å; L296-L309 HydrophobicContact CD1-CD1 4.43Å; L296-L309 HydrophobicContact CD1-CD2 4.07Å; L301-L309 HydrophobicContact CD2-CD1 4.03Å; A306-L309 HydrophobicContact CB-CD1 4.23Å; A306-L309 VanDerWaalsContact O-CB 3.25Å; A306-L309 WeakPolarHBondContact O-CB 3.4Å; A306-L309 PolarHBondContact O-N 3.27Å; A307-L309 PolarHBondContact O-N 3.44Å; L309-L312 PolarHBondContact O-N 2.81Å; L309-L313 WeakPolarHBondContact O-CG 3.29Å; L309-L313 PolarHBondContact O-N 3.2Å; L309-L322 HydrophobicContact CD2-CD1 4.28Å; L309-V324 HydrophobicContact CD1-CG1 3.83Å; L309-L337 HydrophobicContact CB-CD1 3.75Å |
| 310 | V | 93.9 | Very high | 91.7 | Very high | 39 Ų | 39 | 40.3 Ų | 40.3 | 24% | 0.236 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67 | -44.2 | 175.6 | -179.3 | 0 | 0 | 0 | 0 | 109.7 | A307 G308 T314 F333 L337 A340 | A307-V310 WeakPolarHBondContact O-CB 3.2Å; A307-V310 PolarHBondContact O-N 3.46Å; G308-V310 VanDerWaalsContact C-N 3.3Å; G308-V310 PolarHBondContact O-N 3.37Å; V310-T314 WeakPolarHBondContact O-CB 3.34Å; V310-T314 PolarHBondContact O-N 2.82Å; V310-T314 VanDerWaalsContact O-N 3.12Å; V310-T314 PolarHBondContact O-OG1 2.92Å; V310-F333 HydrophobicContact CG2-CE2 3.73Å; V310-F333 HydrophobicContact CG2-CZ 3.87Å; V310-L337 HydrophobicContact CG2-CD1 4.36Å; V310-A340 HydrophobicContact CG1-CB 3.79Å |
| 311 | E | 91.8 | Very high | 91.9 | Very high | 110 Ų | 110 | 40.1 Ų | 40.1 | 51% | 0.514 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -64.2 | -42.8 | 174.1 | -172.6 | -179.8 | 166.6 | 0 | 0 | 111.2 | G308 T314 R315 | G308-E311 PolarHBondContact O-N 3.17Å; E311-T314 PolarHBondContact O-N 3.24Å; E311-R315 WeakPolarHBondContact O-CB 3.41Å; E311-R315 PolarHBondContact O-N 3.08Å; E311-R315 IonicContact OE1-NH1 3.61Å |
| 312 | L | 92.5 | Very high | 92.1 | Very high | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -56.3 | -54 | 176.3 | -177.3 | 151.1 | 0 | 0 | 0 | 111.1 | A285 A286 L294 G308 L309 T314 R315 S316 L319 | A285-L312 HydrophobicContact CB-CD1 3.38Å; A286-L312 HydrophobicContact CB-CB 3.98Å; A286-L312 HydrophobicContact CB-CD1 4.46Å; A286-L312 HydrophobicContact CB-CG 4.27Å; L294-L312 HydrophobicContact CD2-CD1 4.14Å; G308-L312 VanDerWaalsContact O-CB 3.29Å; G308-L312 WeakPolarHBondContact O-CB 3.27Å; G308-L312 PolarHBondContact O-N 3.08Å; L309-L312 PolarHBondContact O-N 2.81Å; L312-T314 VanDerWaalsContact C-N 3.27Å; L312-T314 PolarHBondContact O-N 2.7Å; L312-R315 PolarHBondContact O-N 3.08Å; L312-R315 VanDerWaalsContact O-N 3.13Å; L312-S316 WeakPolarHBondContact O-CB 3.32Å; L312-S316 PolarHBondContact O-N 2.86Å; L312-S316 PolarHBondContact O-OG 2.83Å; L312-L319 HydrophobicContact CD2-CD2 3.71Å |
| 313 | L | 92.7 | Very high | 92.3 | Very high | 3 Ų | 3 | 38 Ų | 38 | 2% | 0.016 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.2 | -32.6 | -179.1 | -72 | 176.1 | 0 | 0 | 0 | 112.8 | L309 R315 L319 L322 L337 A340 A341 N344 L347 | L309-L313 WeakPolarHBondContact O-CG 3.29Å; L309-L313 PolarHBondContact O-N 3.2Å; L313-R315 VanDerWaalsContact C-N 3.34Å; L313-L319 HydrophobicContact CD2-CD2 3.79Å; L313-L322 HydrophobicContact CD1-CD2 4.12Å; L313-L322 HydrophobicContact CD2-CD2 4.37Å; L313-L337 HydrophobicContact CD1-CD1 3.44Å; L313-L337 VanDerWaalsContact CD1-CD1 3.44Å; L313-L337 HydrophobicContact CD1-CG 3.7Å; L313-L337 WeakPolarHBondContact CD1-O 3.44Å; L313-L337 HydrophobicContact CG-CD1 4.48Å; L313-A340 HydrophobicContact CB-CB 4.11Å; L313-A341 HydrophobicContact CD1-CB 4.26Å; L313-N344 PolarHBondContact O-ND2 3.31Å; L313-N344 VanDerWaalsContact O-ND2 3.12Å; L313-L347 HydrophobicContact CD2-CD1 4.38Å; L313-L347 HydrophobicContact CD2-CD2 4.2Å |
| 314 | T | 92.6 | Very high | 92.4 | Very high | 62 Ų | 62 | 35.5 Ų | 35.5 | 38% | 0.38 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -70.2 | -30.9 | 176.9 | -53.9 | 0 | 0 | 0 | 0 | 111.9 | V310 E311 L312 V343 N344 | V310-T314 WeakPolarHBondContact O-CB 3.34Å; V310-T314 PolarHBondContact O-N 2.82Å; V310-T314 VanDerWaalsContact O-N 3.12Å; V310-T314 PolarHBondContact O-OG1 2.92Å; E311-T314 PolarHBondContact O-N 3.24Å; L312-T314 VanDerWaalsContact C-N 3.27Å; L312-T314 PolarHBondContact O-N 2.7Å; T314-V343 HydrophobicContact CG2-CG1 4.31Å; T314-V343 HydrophobicContact CG2-CG2 4.47Å; T314-N344 PolarHBondContact O-ND2 3.47Å |
| 315 | R | 90.7 | Very high | 92.5 | Very high | 118 Ų | 118 | 34.4 Ų | 34.4 | 45% | 0.445 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -98.4 | -34.9 | -177.4 | -170.2 | 164.9 | 74.3 | -163.7 | 7.4 | 114 | A286 C287 E311 L312 L313 | A286-R315 VanDerWaalsContact CB-NH2 3.29Å; A286-R315 PolarHBondContact O-NE 3.45Å; A286-R315 PolarHBondContact O-NH2 3.44Å; C287-R315 PolarHBondContact SG-NH2 2.88Å; E311-R315 WeakPolarHBondContact O-CB 3.41Å; E311-R315 PolarHBondContact O-N 3.08Å; E311-R315 IonicContact OE1-NH1 3.61Å; L312-R315 PolarHBondContact O-N 3.08Å; L312-R315 VanDerWaalsContact O-N 3.13Å; L313-R315 VanDerWaalsContact C-N 3.34Å |
| 316 | S | 87 | Confident | 92.6 | Very high | 5 Ų | 5 | 36 Ų | 36 | 4% | 0.035 | 20% | 0.2 | C | C | . | . | trans | -75.7 | 128.1 | -171.5 | 69.5 | 0 | 0 | 0 | 0 | 111.2 | L312 N344 | L312-S316 WeakPolarHBondContact O-CB 3.32Å; L312-S316 PolarHBondContact O-N 2.86Å; L312-S316 PolarHBondContact O-OG 2.83Å; S316-N344 PolarHBondContact O-ND2 2.99Å | ||
| 317 | S | 86.6 | Confident | 92.7 | Very high | 78 Ų | 78 | 36.1 Ų | 36.1 | 55% | 0.545 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -99.8 | -4.1 | 174.1 | 57.9 | 0 | 0 | 0 | 0 | 113.7 | T346 | S317-T346 WeakPolarHBondContact O-CG2 3.3Š|
| 318 | S | 91.4 | Very high | 92.8 | Very high | 22 Ų | 22 | 37.6 Ų | 37.6 | 15% | 0.154 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -112.6 | -19.5 | -169.8 | 50.2 | 0 | 0 | 0 | 0 | 115.3 | D289 L291 K320 | D289-S318 VanDerWaalsContact C-OG 3.25Å; D289-S318 WeakPolarHBondContact O-CB 3.23Å; D289-S318 PolarHBondContact O-OG 3.04Å; L291-S318 CarbonylContact O-C 3.55Å; L291-S318 VanDerWaalsContact O-C 3.31Å; L291-S318 PolarHBondContact O-OG 3.15Å; S318-K320 PolarHBondContact O-N 2.95Å |
| 319 | L | 93.8 | Very high | 92.9 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | trans | -69.7 | 119.1 | -176.6 | -164.6 | 80.5 | 0 | 0 | 0 | 110.8 | L291 L294 L312 L313 L322 T346 L347 | L291-L319 HydrophobicContact CD2-CD1 4.18Å; L291-L319 HydrophobicContact CG-CD1 4.03Å; L291-L319 WeakPolarHBondContact O-CA 3.48Å; L291-L319 PolarHBondContact O-N 3.5Å; L294-L319 HydrophobicContact CB-CD1 3.85Å; L312-L319 HydrophobicContact CD2-CD2 3.71Å; L313-L319 HydrophobicContact CD2-CD2 3.79Å; L319-L322 HydrophobicContact CD2-CB 4.09Å; L319-L322 HydrophobicContact CD2-CD1 4.4Å; L319-T346 CarbonylContact O-C 3.52Å; L319-L347 HydrophobicContact CD2-CD1 4.04Å; L319-L347 HydrophobicContact CG-CD1 4.25Å | ||
| 320 | K | 93.4 | Very high | 92.8 | Very high | 96 Ų | 96 | 38.8 Ų | 38.8 | 42% | 0.417 | 20% | 0.203 | S | C | . | . | trans | -104.1 | -35.7 | 179.4 | -66.1 | -178.1 | -178.2 | 175.2 | 0 | 112.6 | Q292 S318 L347 V348 E349 | Q292-K320 PolarHBondContact O-N 3.13Å; S318-K320 PolarHBondContact O-N 2.95Å; K320-L347 WeakPolarHBondContact O-CD1 3.45Å; K320-V348 HydrophobicContact CB-CG2 4.27Å; K320-V348 HydrophobicContact CG-CG2 4.44Å; K320-V348 PolarHBondContact O-N 3.49Å; K320-E349 PolarHBondContact O-N 2.93Å | ||
| 321 | N | 95.5 | Very high | 92.8 | Very high | 45 Ų | 45 | 37.4 Ų | 37.4 | 24% | 0.241 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 122.7 | -174.8 | -55 | 60 | 0 | 0 | 0 | 110.1 | Q292 V293 L294 E349 | Q292-N321 PolarHBondContact O-N 3.49Å; V293-N321 WeakPolarHBondContact CA-O 3.24Å; V293-N321 HydrophobicContact CG1-CB 4.26Å; V293-N321 HydrophobicContact CG2-CB 4.17Å; L294-N321 PolarHBondContact N-O 3.25Å; N321-E349 WeakPolarHBondContact CA-O 3.33Å; N321-E349 HydrophobicContact CB-CB 4.49Å; N321-E349 VanDerWaalsContact ND2-CD 3.27Å; N321-E349 PolarHBondContact ND2-OE2 3.07Å |
| 322 | L | 95.7 | Very high | 92.8 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 122.4 | 176 | 178.5 | 62.4 | 0 | 0 | 0 | 109.9 | L294 L309 L313 L319 V324 L337 L347 E349 I350 H351 | L294-L322 HydrophobicContact CB-CD1 4.14Å; L294-L322 HydrophobicContact CD2-CD1 4.01Å; L294-L322 HydrophobicContact CG-CD1 4.16Å; L294-L322 WeakPolarHBondContact O-CA 3.31Å; L309-L322 HydrophobicContact CD2-CD1 4.28Å; L313-L322 HydrophobicContact CD1-CD2 4.12Å; L313-L322 HydrophobicContact CD2-CD2 4.37Å; L319-L322 HydrophobicContact CD2-CB 4.09Å; L319-L322 HydrophobicContact CD2-CD1 4.4Å; L322-V324 HydrophobicContact CD1-CG1 4.15Å; L322-V324 HydrophobicContact CG-CG1 4.3Å; L322-L337 HydrophobicContact CD2-CD1 4.48Å; L322-L337 HydrophobicContact CD2-CD2 4.19Å; L322-L347 HydrophobicContact CB-CD1 3.94Å; L322-L347 HydrophobicContact CB-CD2 4.45Å; L322-E349 PolarHBondContact N-O 3.48Å; L322-I350 WeakPolarHBondContact O-CA 3.38Å; L322-H351 PolarHBondContact O-N 2.87Å |
| 323 | N | 96.2 | Very high | 92.9 | Very high | 21 Ų | 21 | 39 Ų | 39 | 11% | 0.112 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 119.5 | 173.3 | -171.6 | -20.6 | 0 | 0 | 0 | 111.3 | L294 K295 L296 E325 H351 | L294-N323 PolarHBondContact O-N 3.27Å; K295-N323 HydrophobicContact CB-CB 4.28Å; K295-N323 HydrophobicContact CG-CB 4.09Å; L296-N323 PolarHBondContact N-O 3.14Å; N323-E325 PolarHBondContact ND2-OE2 2.85Å; N323-E325 VanDerWaalsContact OD1-CB 3.28Å; N323-E325 WeakPolarHBondContact OD1-CB 3.46Å; N323-E325 VanDerWaalsContact OD1-CG 3.26Å; N323-E325 WeakPolarHBondContact OD1-CG 3.48Å; N323-E325 PolarHBondContact OD1-N 2.95Å; N323-E325 PolarHBondContact OD1-OE2 3.47Å; N323-H351 HydrophobicContact CB-CB 3.97Å |
| 324 | V | 95.1 | Very high | 93 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | -130.2 | 26.9 | 175.9 | -66 | 0 | 0 | 0 | 0 | 111.6 | L296 L309 L322 N327 L329 H351 A352 Q355 | L296-V324 HydrophobicContact CB-CG1 4.44Å; L296-V324 HydrophobicContact CD1-CG1 4.46Å; L309-V324 HydrophobicContact CD1-CG1 3.83Å; L322-V324 HydrophobicContact CD1-CG1 4.15Å; L322-V324 HydrophobicContact CG-CG1 4.3Å; V324-N327 PolarHBondContact O-ND2 2.73Å; V324-L329 HydrophobicContact CB-CD1 3.95Å; V324-L329 HydrophobicContact CG2-CD1 3.84Å; V324-H351 WeakPolarHBondContact CG2-O 3.5Å; V324-H351 PolarHBondContact N-O 2.97Å; V324-A352 HydrophobicContact CG2-CB 3.8Å; V324-Q355 PolarHBondContact O-NE2 3.06Å | ||
| 325 | E | 93.8 | Very high | 93.1 | Very high | 45 Ų | 45 | 36.3 Ų | 36.3 | 21% | 0.21 | 19% | 0.188 | C | C | . | . | trans | -60.3 | 154.8 | 178.5 | -71.2 | 167.2 | 168.1 | 0 | 0 | 113 | A297 N298 N323 N327 H351 E353 | A297-E325 CarbonylContact C-O 3.37Å; A297-E325 VanDerWaalsContact CA-O 3.26Å; A297-E325 WeakPolarHBondContact CA-O 3.3Å; A297-E325 HydrophobicContact CB-CB 4.27Å; N298-E325 PolarHBondContact N-O 3.06Å; N323-E325 PolarHBondContact ND2-OE2 2.85Å; N323-E325 VanDerWaalsContact OD1-CB 3.28Å; N323-E325 WeakPolarHBondContact OD1-CB 3.46Å; N323-E325 VanDerWaalsContact OD1-CG 3.26Å; N323-E325 WeakPolarHBondContact OD1-CG 3.48Å; N323-E325 PolarHBondContact OD1-N 2.95Å; N323-E325 PolarHBondContact OD1-OE2 3.47Å; E325-N327 VanDerWaalsContact C-N 3.33Å; E325-N327 PolarHBondContact O-N 2.86Å; E325-N327 PolarHBondContact O-ND2 2.91Å; E325-H351 HydrophobicContact CG-CB 3.86Å; E325-H351 PolarHBondContact N-O 3.01Å; E325-H351 VanDerWaalsContact OE1-CB 3.3Å; E325-H351 WeakPolarHBondContact OE1-CB 3.43Å; E325-H351 IonicContact OE1-CG 3.95Å; E325-H351 IonicContact OE1-ND1 2.72Å; E325-H351 PolarHBondContact OE1-ND1 3.16Å; E325-E353 CarbonylContact C-O 3.45Å; E325-E353 WeakPolarHBondContact CA-O 3.29Å; E325-E353 HydrophobicContact CG-CB 4.33Å | ||
| 326 | S | 93.4 | Very high | 93.3 | Very high | 42 Ų | 42 | 32.7 Ų | 32.7 | 29% | 0.294 | 18% | 0.183 | S | C | . | . | S | Bend | trans | 56.9 | 40.5 | 173 | -57.6 | 0 | 0 | 0 | 0 | 114.4 | N298 E353 N354 | N298-S326 WeakPolarHBondContact CA-O 3.31Å; S326-E353 PolarHBondContact N-O 2.9Å; S326-N354 VanDerWaalsContact CA-O 3.3Å; S326-N354 WeakPolarHBondContact CA-O 3.48Å; S326-N354 PolarHBondContact OG-ND2 2.95Å |
| 327 | N | 93.8 | Very high | 93.7 | Very high | 2 Ų | 2 | 32.5 Ų | 32.5 | 1% | 0.011 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -116.1 | -166.1 | 178.9 | -77.1 | -55.4 | 0 | 0 | 0 | 111.9 | L296 T299 A300 L301 V324 E325 L329 Q355 R356 | L296-N327 PolarHBondContact O-ND2 2.99Å; T299-N327 PolarHBondContact N-OD1 3.28Å; T299-N327 VanDerWaalsContact N-OD1 3.09Å; T299-N327 PolarHBondContact OG1-OD1 3.22Å; A300-N327 PolarHBondContact N-OD1 3.33Å; A300-N327 VanDerWaalsContact N-OD1 3.11Å; L301-N327 HydrophobicContact CB-CB 4.08Å; L301-N327 PolarHBondContact N-OD1 3.14Å; V324-N327 PolarHBondContact O-ND2 2.73Å; E325-N327 VanDerWaalsContact C-N 3.33Å; E325-N327 PolarHBondContact O-N 2.86Å; E325-N327 PolarHBondContact O-ND2 2.91Å; N327-L329 HydrophobicContact CB-CG 4.3Å; N327-Q355 WeakPolarHBondContact O-CA 3.37Å; N327-Q355 PolarHBondContact O-OE1 3.49Å; N327-Q355 VanDerWaalsContact O-OE1 3.13Å; N327-R356 PolarHBondContact O-N 3.4Å |
| 328 | F | 93.1 | Very high | 94 | Very high | 83 Ų | 83 | 28.9 Ų | 28.9 | 36% | 0.364 | 16% | 0.156 | S | C | . | . | B | Isolated β-bridge | trans | -110.5 | 33.3 | -178 | -59.7 | -67.3 | 0 | 0 | 0 | 112.1 | A300 L301 L302 R356 | A300-F328 HydrophobicContact CB-CD2 4.04Å; A300-F328 HydrophobicContact CB-CE2 3.61Å; L301-F328 CarbonylContact O-C 3.53Å; L301-F328 WeakPolarHBondContact O-CA 3.5Å; L301-F328 WeakPolarHBondContact O-CB 3.47Å; L301-F328 PolarHBondContact O-N 3.5Å; L302-F328 HydrophobicContact CD2-CB 3.66Å; L302-F328 HydrophobicContact CD2-CG 4.31Å; L302-F328 HydrophobicContact CG-CB 4.49Å; F328-R356 HydrophobicContact CD1-CB 3.44Å; F328-R356 VanDerWaalsContact CD1-CB 3.44Å; F328-R356 HydrophobicContact CD1-CG 3.98Å; F328-R356 HydrophobicContact CE1-CB 3.85Å; F328-R356 HydrophobicContact CE1-CG 4.12Å |
| 329 | L | 93.7 | Very high | 94.2 | Very high | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | trans | -78 | 137.3 | -177.9 | -56.3 | 179.3 | 0 | 0 | 0 | 111.6 | L301 D303 A306 V324 N327 F333 L334 Q355 | L301-L329 HydrophobicContact CD2-CD2 4.29Å; L301-L329 HydrophobicContact CG-CD2 4.35Å; D303-L329 VanDerWaalsContact OD1-CA 3.24Å; D303-L329 WeakPolarHBondContact OD1-CA 3.49Å; A306-L329 HydrophobicContact CB-CD2 3.65Å; V324-L329 HydrophobicContact CB-CD1 3.95Å; V324-L329 HydrophobicContact CG2-CD1 3.84Å; N327-L329 HydrophobicContact CB-CG 4.3Å; L329-F333 HydrophobicContact CB-CD1 4.31Å; L329-F333 HydrophobicContact CD1-CD1 4.22Å; L329-F333 HydrophobicContact CD1-CE1 4.28Å; L329-F333 HydrophobicContact CD2-CD1 3.9Å; L329-F333 HydrophobicContact CD2-CE1 4.06Å; L329-F333 HydrophobicContact CG-CD1 4.37Å; L329-L334 HydrophobicContact CB-CD2 4.32Å; L329-L334 HydrophobicContact CD1-CD2 4.07Å; L329-Q355 HydrophobicContact CB-CG 4.39Å | ||
| 330 | S | 92.8 | Very high | 94.2 | Very high | 37 Ų | 37 | 34.4 Ų | 34.4 | 26% | 0.259 | 18% | 0.175 | S | C | . | . | trans | -79.9 | 157.1 | 173.1 | 75.3 | 0 | 0 | 0 | 0 | 112.2 | D303 E332 F333 L334 | D303-S330 PolarHBondContact OD1-N 3.17Å; D303-S330 WeakPolarHBondContact OD2-CB 3.23Å; D303-S330 PolarHBondContact OD2-OG 3.22Å; S330-E332 VanDerWaalsContact C-N 3.3Å; S330-E332 PolarHBondContact O-N 3.27Å; S330-F333 PolarHBondContact O-N 3.34Å; S330-F333 PolarHBondContact OG-N 2.87Å; S330-L334 PolarHBondContact O-N 2.95Å; S330-L334 VanDerWaalsContact O-N 3.12Å | ||
| 331 | G | 92.4 | Very high | 94.2 | Very high | 10 Ų | 10 | 30 Ų | 30 | 10% | 0.103 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.6 | -37.9 | 176 | 0 | 0 | 0 | 0 | 0 | 113.7 | F333 L334 V335 V364 | G331-F333 VanDerWaalsContact C-N 3.31Å; G331-F333 PolarHBondContact O-N 2.99Å; G331-L334 PolarHBondContact O-N 3.18Å; G331-V335 WeakPolarHBondContact O-CG2 3.24Å; G331-V335 PolarHBondContact O-N 2.78Å; G331-V335 VanDerWaalsContact O-N 3.09Å; G331-V364 VanDerWaalsContact C-CG1 3.41Å; G331-V364 VanDerWaalsContact O-CG1 3.31Å; G331-V364 WeakPolarHBondContact O-CG1 3.31Å |
| 332 | E | 93.1 | Very high | 94 | Very high | 125 Ų | 125 | 29 Ų | 29 | 58% | 0.584 | 15% | 0.151 | S | C | * | . | H | α-helix | trans | -61 | -40.6 | 175.1 | -64.9 | -63.2 | 154.5 | 0 | 0 | 111.6 | S330 V335 A336 V364 | S330-E332 VanDerWaalsContact C-N 3.3Å; S330-E332 PolarHBondContact O-N 3.27Å; E332-V335 PolarHBondContact O-N 3.31Å; E332-A336 PolarHBondContact O-N 3.12Å; E332-A336 VanDerWaalsContact O-N 3.1Å; E332-V364 WeakPolarHBondContact OE1-CG2 3.25Å |
| 333 | F | 94.4 | Very high | 93.8 | Very high | 22 Ų | 22 | 33.2 Ų | 33.2 | 10% | 0.096 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.1 | -40.5 | 176.4 | -176.7 | -96.6 | 0 | 0 | 0 | 112 | D303 A306 V310 L329 S330 G331 V335 A336 L337 | D303-F333 HydrophobicContact CB-CB 4.41Å; D303-F333 HydrophobicContact CB-CD2 4.35Å; D303-F333 HydrophobicContact CB-CG 4.39Å; A306-F333 HydrophobicContact CB-CD1 4.36Å; A306-F333 HydrophobicContact CB-CE1 3.51Å; A306-F333 HydrophobicContact CB-CE2 4.12Å; A306-F333 HydrophobicContact CB-CZ 3.38Å; A306-F333 VanDerWaalsContact O-CZ 3.27Å; A306-F333 WeakPolarHBondContact O-CZ 3.48Å; V310-F333 HydrophobicContact CG2-CE2 3.73Å; V310-F333 HydrophobicContact CG2-CZ 3.87Å; L329-F333 HydrophobicContact CB-CD1 4.31Å; L329-F333 HydrophobicContact CD1-CD1 4.22Å; L329-F333 HydrophobicContact CD1-CE1 4.28Å; L329-F333 HydrophobicContact CD2-CD1 3.9Å; L329-F333 HydrophobicContact CD2-CE1 4.06Å; L329-F333 HydrophobicContact CG-CD1 4.37Å; S330-F333 PolarHBondContact O-N 3.34Å; S330-F333 PolarHBondContact OG-N 2.87Å; G331-F333 VanDerWaalsContact C-N 3.31Å; G331-F333 PolarHBondContact O-N 2.99Å; F333-V335 VanDerWaalsContact C-N 3.3Å; F333-V335 PolarHBondContact O-N 3.4Å; F333-A336 WeakPolarHBondContact O-CB 3.26Å; F333-A336 PolarHBondContact O-N 3.4Å; F333-L337 HydrophobicContact CE1-CD1 4.4Å; F333-L337 HydrophobicContact CZ-CD1 4.46Å; F333-L337 WeakPolarHBondContact O-CB 3.44Å; F333-L337 PolarHBondContact O-N 3.2Å |
| 334 | L | 94.6 | Very high | 93.5 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.2 | -36.9 | 175.7 | -65 | 179.8 | 0 | 0 | 0 | 112.4 | L329 S330 G331 L337 L338 A352 Q355 L360 L368 | L329-L334 HydrophobicContact CB-CD2 4.32Å; L329-L334 HydrophobicContact CD1-CD2 4.07Å; S330-L334 PolarHBondContact O-N 2.95Å; S330-L334 VanDerWaalsContact O-N 3.12Å; G331-L334 PolarHBondContact O-N 3.18Å; L334-L337 HydrophobicContact CD2-CD2 4.48Å; L334-L337 WeakPolarHBondContact O-CB 3.37Å; L334-L337 PolarHBondContact O-N 2.93Å; L334-L338 PolarHBondContact O-N 3.11Å; L334-A352 HydrophobicContact CD1-CB 4.4Å; L334-A352 HydrophobicContact CD2-CB 3.74Å; L334-Q355 HydrophobicContact CD1-CG 4.44Å; L334-L360 HydrophobicContact CD1-CD2 4.08Å; L334-L368 HydrophobicContact CB-CD2 4Å |
| 335 | V | 94.6 | Very high | 93.2 | Very high | 6 Ų | 6 | 38.8 Ų | 38.8 | 4% | 0.036 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.7 | -46.4 | 173.1 | 173.6 | 0 | 0 | 0 | 0 | 110.6 | G331 E332 F333 L337 L338 R339 V364 D367 L368 | G331-V335 WeakPolarHBondContact O-CG2 3.24Å; G331-V335 PolarHBondContact O-N 2.78Å; G331-V335 VanDerWaalsContact O-N 3.09Å; E332-V335 PolarHBondContact O-N 3.31Å; F333-V335 VanDerWaalsContact C-N 3.3Å; F333-V335 PolarHBondContact O-N 3.4Å; V335-L337 VanDerWaalsContact C-N 3.29Å; V335-L337 PolarHBondContact O-N 3.18Å; V335-L338 PolarHBondContact O-N 2.91Å; V335-R339 HydrophobicContact CG1-CG 4.46Å; V335-R339 WeakPolarHBondContact O-CB 3.4Å; V335-R339 WeakPolarHBondContact O-CG 3.22Å; V335-R339 PolarHBondContact O-N 3.49Å; V335-V364 HydrophobicContact CG2-CG1 3.77Å; V335-D367 HydrophobicContact CG1-CB 4.06Å; V335-D367 HydrophobicContact CG2-CB 3.9Å; V335-L368 HydrophobicContact CB-CD2 4.33Å; V335-L368 HydrophobicContact CG2-CD2 3.64Å; V335-L368 HydrophobicContact CG2-CG 3.66Å |
| 336 | A | 95.2 | Very high | 93 | Very high | 42 Ų | 42 | 38.5 Ų | 38.5 | 35% | 0.347 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -61.1 | -39.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | E332 F333 R339 A340 | E332-A336 PolarHBondContact O-N 3.12Å; E332-A336 VanDerWaalsContact O-N 3.1Å; F333-A336 WeakPolarHBondContact O-CB 3.26Å; F333-A336 PolarHBondContact O-N 3.4Å; A336-R339 PolarHBondContact O-N 3.31Å; A336-A340 PolarHBondContact O-N 3.5Å |
| 337 | L | 94.7 | Very high | 93 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.8 | -46.9 | 178 | -168.1 | 72.5 | 0 | 0 | 0 | 112 | L309 V310 L313 L322 F333 L334 V335 A340 A341 I350 | L309-L337 HydrophobicContact CB-CD1 3.75Å; V310-L337 HydrophobicContact CG2-CD1 4.36Å; L313-L337 HydrophobicContact CD1-CD1 3.44Å; L313-L337 VanDerWaalsContact CD1-CD1 3.44Å; L313-L337 HydrophobicContact CD1-CG 3.7Å; L313-L337 WeakPolarHBondContact CD1-O 3.44Å; L313-L337 HydrophobicContact CG-CD1 4.48Å; L322-L337 HydrophobicContact CD2-CD1 4.48Å; L322-L337 HydrophobicContact CD2-CD2 4.19Å; F333-L337 HydrophobicContact CE1-CD1 4.4Å; F333-L337 HydrophobicContact CZ-CD1 4.46Å; F333-L337 WeakPolarHBondContact O-CB 3.44Å; F333-L337 PolarHBondContact O-N 3.2Å; L334-L337 HydrophobicContact CD2-CD2 4.48Å; L334-L337 WeakPolarHBondContact O-CB 3.37Å; L334-L337 PolarHBondContact O-N 2.93Å; V335-L337 VanDerWaalsContact C-N 3.29Å; V335-L337 PolarHBondContact O-N 3.18Å; L337-A340 PolarHBondContact O-N 3.16Å; L337-A341 PolarHBondContact O-N 3.2Å; L337-I350 HydrophobicContact CD2-CD1 3.93Å; L337-I350 HydrophobicContact CG-CD1 4.42Å |
| 338 | L | 94.1 | Very high | 93 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.9 | -38.8 | 176.3 | -76.7 | 178.2 | 0 | 0 | 0 | 112.4 | L334 V335 A340 A341 N342 I350 L368 A371 V372 L378 I383 | L334-L338 PolarHBondContact O-N 3.11Å; V335-L338 PolarHBondContact O-N 2.91Å; L338-A340 VanDerWaalsContact C-N 3.28Å; L338-A340 PolarHBondContact O-N 3.02Å; L338-A341 WeakPolarHBondContact O-CB 3.26Å; L338-A341 PolarHBondContact O-N 3.22Å; L338-A341 VanDerWaalsContact O-N 3.13Å; L338-N342 PolarHBondContact O-N 2.59Å; L338-N342 VanDerWaalsContact O-N 3.12Å; L338-N342 PolarHBondContact O-OD1 2.94Å; L338-I350 HydrophobicContact CD2-CD1 3.86Å; L338-I350 HydrophobicContact CD2-CG2 4.08Å; L338-L368 HydrophobicContact CD1-CD2 3.53Å; L338-L368 HydrophobicContact CG-CD2 4.44Å; L338-A371 HydrophobicContact CB-CB 3.92Å; L338-V372 HydrophobicContact CD1-CG2 3.89Å; L338-L378 HydrophobicContact CD2-CD1 3.99Å; L338-I383 HydrophobicContact CD1-CD1 4.18Å |
| 339 | R | 94.5 | Very high | 93 | Very high | 133 Ų | 133 | 36.6 Ų | 36.6 | 50% | 0.502 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -61.9 | -36.7 | 173.8 | -72.5 | -177.9 | -170.3 | -163.7 | 9.2 | 112 | V335 A336 N342 D367 A371 | V335-R339 HydrophobicContact CG1-CG 4.46Å; V335-R339 WeakPolarHBondContact O-CB 3.4Å; V335-R339 WeakPolarHBondContact O-CG 3.22Å; V335-R339 PolarHBondContact O-N 3.49Å; A336-R339 PolarHBondContact O-N 3.31Å; R339-N342 WeakPolarHBondContact O-CB 3.29Å; R339-N342 PolarHBondContact O-N 3.1Å; R339-D367 IonicContact NH2-OD2 2.64Å; R339-D367 PolarHBondContact NH2-OD2 3.39Å; R339-A371 HydrophobicContact CG-CB 4.33Å |
| 340 | A | 94.1 | Very high | 93.1 | Very high | 7 Ų | 7 | 36.6 Ų | 36.6 | 6% | 0.058 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67.5 | -38.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V310 L313 A336 L337 L338 N342 V343 | V310-A340 HydrophobicContact CG1-CB 3.79Å; L313-A340 HydrophobicContact CB-CB 4.11Å; A336-A340 PolarHBondContact O-N 3.5Å; L337-A340 PolarHBondContact O-N 3.16Å; L338-A340 VanDerWaalsContact C-N 3.28Å; L338-A340 PolarHBondContact O-N 3.02Å; A340-N342 PolarHBondContact O-N 3.31Å; A340-V343 WeakPolarHBondContact O-CB 3.49Å; A340-V343 PolarHBondContact O-N 3.11Å; A340-V343 VanDerWaalsContact O-N 3.14Å |
| 341 | A | 92.9 | Very high | 93.2 | Very high | 3 Ų | 3 | 37 Ų | 37 | 3% | 0.025 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.6 | -28.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L313 L337 L338 V343 Q345 L347 | L313-A341 HydrophobicContact CD1-CB 4.26Å; L337-A341 PolarHBondContact O-N 3.2Å; L338-A341 WeakPolarHBondContact O-CB 3.26Å; L338-A341 PolarHBondContact O-N 3.22Å; L338-A341 VanDerWaalsContact O-N 3.13Å; A341-V343 PolarHBondContact O-N 3.19Å; A341-Q345 PolarHBondContact O-N 3.1Å; A341-Q345 VanDerWaalsContact O-N 3.09Å; A341-L347 HydrophobicContact CB-CD2 4.22Å |
| 342 | N | 92.1 | Very high | 93.3 | Very high | 23 Ų | 23 | 36.8 Ų | 36.8 | 12% | 0.123 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -70.8 | -14 | 178 | -68.3 | -5.5 | 0 | 0 | 0 | 114.2 | L338 R339 A340 Q345 A371 E374 N375 | L338-N342 PolarHBondContact O-N 2.59Å; L338-N342 VanDerWaalsContact O-N 3.12Å; L338-N342 PolarHBondContact O-OD1 2.94Å; R339-N342 WeakPolarHBondContact O-CB 3.29Å; R339-N342 PolarHBondContact O-N 3.1Å; A340-N342 PolarHBondContact O-N 3.31Å; N342-Q345 VanDerWaalsContact O-CG 3.27Å; N342-Q345 WeakPolarHBondContact O-CG 3.41Å; N342-A371 PolarHBondContact ND2-O 3.19Å; N342-A371 PolarHBondContact OD1-O 2.9Å; N342-E374 PolarHBondContact ND2-OE2 3.14Å; N342-N375 VanDerWaalsContact OD1-CB 3.23Å; N342-N375 WeakPolarHBondContact OD1-CB 3.45Å; N342-N375 PolarHBondContact OD1-ND2 2.99Å |
| 343 | V | 92 | Very high | 93.3 | Very high | 91 Ų | 91 | 34.8 Ų | 34.8 | 55% | 0.552 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -72.4 | -53.9 | -179.4 | 179.7 | 0 | 0 | 0 | 0 | 111.1 | T314 A340 A341 | T314-V343 HydrophobicContact CG2-CG1 4.31Å; T314-V343 HydrophobicContact CG2-CG2 4.47Å; A340-V343 WeakPolarHBondContact O-CB 3.49Å; A340-V343 PolarHBondContact O-N 3.11Å; A340-V343 VanDerWaalsContact O-N 3.14Å; A341-V343 PolarHBondContact O-N 3.19Å |
| 344 | N | 88.8 | Confident | 93.1 | Very high | 59 Ų | 59 | 38.8 Ų | 38.8 | 32% | 0.316 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -92.3 | -23.9 | -178.4 | -70 | -26.7 | 0 | 0 | 0 | 113.1 | L313 T314 S316 T346 | L313-N344 PolarHBondContact O-ND2 3.31Å; L313-N344 VanDerWaalsContact O-ND2 3.12Å; T314-N344 PolarHBondContact O-ND2 3.47Å; S316-N344 PolarHBondContact O-ND2 2.99Å; N344-T346 VanDerWaalsContact C-N 3.31Å; N344-T346 HydrophobicContact CB-CG2 4.22Å; N344-T346 PolarHBondContact O-N 3.44Å |
| 345 | Q | 89.5 | Confident | 93 | Very high | 79 Ų | 79 | 39.1 Ų | 39.1 | 37% | 0.369 | 21% | 0.205 | S | C | . | . | trans | 49.4 | 49.1 | -177.8 | -56.4 | -167.8 | -19.9 | 0 | 0 | 112.9 | A341 N342 E374 T377 | A341-Q345 PolarHBondContact O-N 3.1Å; A341-Q345 VanDerWaalsContact O-N 3.09Å; N342-Q345 VanDerWaalsContact O-CG 3.27Å; N342-Q345 WeakPolarHBondContact O-CG 3.41Å; Q345-E374 PolarHBondContact NE2-O 3.03Å; Q345-T377 VanDerWaalsContact C-OG1 3.27Å; Q345-T377 HydrophobicContact CB-CG2 4.01Å; Q345-T377 WeakPolarHBondContact O-CG2 3.39Å; Q345-T377 PolarHBondContact O-OG1 3.24Å; Q345-T377 VanDerWaalsContact O-OG1 3.14Å | ||
| 346 | T | 90.4 | Very high | 92.6 | Very high | 38 Ų | 38 | 48.4 Ų | 48.4 | 23% | 0.233 | 24% | 0.239 | C | C | . | . | trans | -109.5 | -23 | -179.9 | 47 | 0 | 0 | 0 | 0 | 112.7 | S317 L319 N344 | S317-T346 WeakPolarHBondContact O-CG2 3.3Å; L319-T346 CarbonylContact O-C 3.52Å; N344-T346 VanDerWaalsContact C-N 3.31Å; N344-T346 HydrophobicContact CB-CG2 4.22Å; N344-T346 PolarHBondContact O-N 3.44Å | ||
| 347 | L | 92.5 | Very high | 92 | Very high | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | trans | -69.7 | 131.9 | 179.7 | -160.7 | 68.7 | 0 | 0 | 0 | 110.1 | L313 L319 K320 L322 A341 I350 T377 L378 | L313-L347 HydrophobicContact CD2-CD1 4.38Å; L313-L347 HydrophobicContact CD2-CD2 4.2Å; L319-L347 HydrophobicContact CD2-CD1 4.04Å; L319-L347 HydrophobicContact CG-CD1 4.25Å; K320-L347 WeakPolarHBondContact O-CD1 3.45Å; L322-L347 HydrophobicContact CB-CD1 3.94Å; L322-L347 HydrophobicContact CB-CD2 4.45Å; A341-L347 HydrophobicContact CB-CD2 4.22Å; L347-I350 HydrophobicContact CD2-CB 3.87Å; L347-I350 HydrophobicContact CD2-CD1 4.15Å; L347-I350 HydrophobicContact CD2-CG1 4.37Å; L347-T377 CarbonylContact O-C 3.46Å; L347-T377 PolarHBondContact O-OG1 3.34Å; L347-T377 VanDerWaalsContact O-OG1 3.05Å; L347-L378 HydrophobicContact CB-CD2 4.07Å; L347-L378 HydrophobicContact CD2-CD2 4.13Å; L347-L378 HydrophobicContact CG-CD2 4.06Å; L347-L378 WeakPolarHBondContact O-CD2 3.11Å | ||
| 348 | V | 93.2 | Very high | 91.2 | Very high | 42 Ų | 42 | 55 Ų | 55 | 26% | 0.255 | 27% | 0.274 | S | S | . | . | trans | -105.6 | -41.2 | 179.5 | -178.2 | 0 | 0 | 0 | 0 | 110.2 | K320 L379 R380 | K320-V348 HydrophobicContact CB-CG2 4.27Å; K320-V348 HydrophobicContact CG-CG2 4.44Å; K320-V348 PolarHBondContact O-N 3.49Å; V348-L379 HydrophobicContact CG1-CB 4.01Å; V348-L379 HydrophobicContact CG1-CD1 3.72Å; V348-L379 HydrophobicContact CG1-CG 3.88Å; V348-L379 PolarHBondContact O-N 3.41Å; V348-R380 PolarHBondContact O-N 3.42Å; V348-R380 VanDerWaalsContact O-N 3.15Å | ||
| 349 | E | 94.4 | Very high | 90.9 | Very high | 45 Ų | 45 | 59.9 Ų | 59.9 | 21% | 0.21 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 128.5 | -177.5 | -53.6 | -171.6 | 163.1 | 0 | 0 | 110.6 | K320 N321 L322 H351 R380 | K320-E349 PolarHBondContact O-N 2.93Å; N321-E349 WeakPolarHBondContact CA-O 3.33Å; N321-E349 HydrophobicContact CB-CB 4.49Å; N321-E349 VanDerWaalsContact ND2-CD 3.27Å; N321-E349 PolarHBondContact ND2-OE2 3.07Å; L322-E349 PolarHBondContact N-O 3.48Å; E349-H351 IonicContact OE2-NE2 3.34Å; E349-R380 WeakPolarHBondContact CA-O 3.4Å; E349-R380 HydrophobicContact CB-CB 4.3Å; E349-R380 HydrophobicContact CG-CB 4Å; E349-R380 HydrophobicContact CG-CG 4.16Å; E349-R380 WeakPolarHBondContact OE1-CD 3.36Å; E349-R380 IonicContact OE1-NH1 2.66Å |
| 350 | I | 95.1 | Very high | 90.5 | Very high | 2 Ų | 2 | 54.8 Ų | 54.8 | 1% | 0.01 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 128.2 | 172.1 | -174.8 | 165.2 | 0 | 0 | 0 | 109.8 | L322 L337 L338 L347 L378 R380 V381 G382 | L322-I350 WeakPolarHBondContact O-CA 3.38Å; L337-I350 HydrophobicContact CD2-CD1 3.93Å; L337-I350 HydrophobicContact CG-CD1 4.42Å; L338-I350 HydrophobicContact CD2-CD1 3.86Å; L338-I350 HydrophobicContact CD2-CG2 4.08Å; L347-I350 HydrophobicContact CD2-CB 3.87Å; L347-I350 HydrophobicContact CD2-CD1 4.15Å; L347-I350 HydrophobicContact CD2-CG1 4.37Å; I350-L378 HydrophobicContact CG2-CD2 4.1Å; I350-R380 PolarHBondContact N-O 3.05Å; I350-V381 HydrophobicContact CG2-CB 4.25Å; I350-V381 HydrophobicContact CG2-CG1 4.16Å; I350-V381 HydrophobicContact CG2-CG2 3.9Å; I350-V381 CarbonylContact O-C 3.31Å; I350-V381 WeakPolarHBondContact O-CA 3.48Å; I350-G382 PolarHBondContact O-N 3.45Å |
| 351 | H | 95.4 | Very high | 90.3 | Very high | 46 Ų | 46 | 55.6 Ų | 55.6 | 21% | 0.213 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 111.7 | -175.8 | -78 | -87.6 | 0 | 0 | 0 | 108.8 | L322 N323 V324 E325 E349 | L322-H351 PolarHBondContact O-N 2.87Å; N323-H351 HydrophobicContact CB-CB 3.97Å; V324-H351 WeakPolarHBondContact CG2-O 3.5Å; V324-H351 PolarHBondContact N-O 2.97Å; E325-H351 HydrophobicContact CG-CB 3.86Å; E325-H351 PolarHBondContact N-O 3.01Å; E325-H351 VanDerWaalsContact OE1-CB 3.3Å; E325-H351 WeakPolarHBondContact OE1-CB 3.43Å; E325-H351 IonicContact OE1-CG 3.95Å; E325-H351 IonicContact OE1-ND1 2.72Å; E325-H351 PolarHBondContact OE1-ND1 3.16Å; E349-H351 IonicContact OE2-NE2 3.34Å |
| 352 | A | 93.8 | Very high | 90.3 | Very high | 4 Ų | 4 | 60.8 Ų | 60.8 | 3% | 0.033 | 32% | 0.323 | C | S | . | . | trans | -140.1 | 25 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | V324 L334 Q355 G382 I383 | V324-A352 HydrophobicContact CG2-CB 3.8Å; L334-A352 HydrophobicContact CD1-CB 4.4Å; L334-A352 HydrophobicContact CD2-CB 3.74Å; A352-Q355 WeakPolarHBondContact O-CG 3.31Å; A352-Q355 PolarHBondContact O-NE2 3.49Å; A352-G382 CarbonylContact C-O 3.59Å; A352-G382 WeakPolarHBondContact CA-O 3.45Å; A352-G382 PolarHBondContact N-O 3.35Å; A352-I383 HydrophobicContact CB-CG1 4.13Å | ||
| 353 | E | 92.2 | Very high | 90.4 | Very high | 83 Ų | 83 | 65.7 Ų | 65.7 | 39% | 0.388 | 35% | 0.345 | S | S | . | . | trans | -68.5 | 164.4 | 178.6 | -55.4 | -167.3 | 165.6 | 0 | 0 | 112.9 | E325 S326 Q355 G382 | E325-E353 CarbonylContact C-O 3.45Å; E325-E353 WeakPolarHBondContact CA-O 3.29Å; E325-E353 HydrophobicContact CG-CB 4.33Å; S326-E353 PolarHBondContact N-O 2.9Å; E353-Q355 PolarHBondContact O-N 3.36Å; E353-Q355 PolarHBondContact O-NE2 3.22Å; E353-G382 WeakPolarHBondContact CG-O 3.37Å; E353-G382 PolarHBondContact N-O 2.68Å; E353-G382 VanDerWaalsContact N-O 3.11Å; E353-G382 WeakPolarHBondContact OE1-CA 3.41Å | ||
| 354 | N | 92.1 | Very high | 90.5 | Very high | 107 Ų | 107 | 61.9 Ų | 61.9 | 57% | 0.572 | 32% | 0.322 | S | S | * | . | S | Bend | trans | 58.5 | 37.1 | 173 | -165.1 | 38.1 | 0 | 0 | 0 | 115.1 | S326 | S326-N354 VanDerWaalsContact CA-O 3.3Å; S326-N354 WeakPolarHBondContact CA-O 3.48Å; S326-N354 PolarHBondContact OG-ND2 2.95Å |
| 355 | Q | 92.2 | Very high | 90.8 | Very high | 9 Ų | 9 | 59 Ų | 59 | 4% | 0.042 | 31% | 0.307 | C | S | . | . | trans | -66.5 | 152.7 | 170 | -55.4 | -55.6 | -44.6 | 0 | 0 | 110.7 | V324 N327 L329 L334 A352 E353 A357 L358 | V324-Q355 PolarHBondContact O-NE2 3.06Å; N327-Q355 WeakPolarHBondContact O-CA 3.37Å; N327-Q355 PolarHBondContact O-OE1 3.49Å; N327-Q355 VanDerWaalsContact O-OE1 3.13Å; L329-Q355 HydrophobicContact CB-CG 4.39Å; L334-Q355 HydrophobicContact CD1-CG 4.44Å; A352-Q355 WeakPolarHBondContact O-CG 3.31Å; A352-Q355 PolarHBondContact O-NE2 3.49Å; E353-Q355 PolarHBondContact O-N 3.36Å; E353-Q355 PolarHBondContact O-NE2 3.22Å; Q355-A357 CarbonylContact O-C 3.58Å; Q355-A357 PolarHBondContact O-N 3.1Å; Q355-A357 VanDerWaalsContact O-N 3.15Å; Q355-L358 PolarHBondContact O-N 3.11Å | ||
| 356 | R | 85.9 | Confident | 91.1 | Very high | 200 Ų | 200 | 57 Ų | 57 | 76% | 0.755 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -52.8 | -38.1 | 178.1 | 178.3 | -177.2 | -170.5 | 152.3 | 0.8 | 113.3 | N327 F328 L358 | N327-R356 PolarHBondContact O-N 3.4Å; F328-R356 HydrophobicContact CD1-CB 3.44Å; F328-R356 VanDerWaalsContact CD1-CB 3.44Å; F328-R356 HydrophobicContact CD1-CG 3.98Å; F328-R356 HydrophobicContact CE1-CB 3.85Å; F328-R356 HydrophobicContact CE1-CG 4.12Å; R356-L358 PolarHBondContact O-N 2.92Å |
| 357 | A | 82.6 | Confident | 91.4 | Very high | 50 Ų | 50 | 56.4 Ų | 56.4 | 41% | 0.413 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -83 | 88.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | Q355 V359 | Q355-A357 CarbonylContact O-C 3.58Å; Q355-A357 PolarHBondContact O-N 3.1Å; Q355-A357 VanDerWaalsContact O-N 3.15Å; A357-V359 PolarHBondContact O-N 3.18Å |
| 358 | L | 78.6 | Confident | 91.5 | Very high | 131 Ų | 131 | 56.3 Ų | 56.3 | 69% | 0.686 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -61.4 | -27.3 | -179.4 | -172 | 66.2 | 0 | 0 | 0 | 112.4 | Q355 R356 | Q355-L358 PolarHBondContact O-N 3.11Å; R356-L358 PolarHBondContact O-N 2.92Å |
| 359 | V | 86.3 | Confident | 91.6 | Very high | 105 Ų | 105 | 54.3 Ų | 54.3 | 64% | 0.636 | 28% | 0.281 | S | S | * | . | trans | -103 | 110.7 | 176.2 | -176.1 | 0 | 0 | 0 | 0 | 108.8 | A357 | A357-V359 PolarHBondContact O-N 3.18Š| ||
| 360 | L | 87.2 | Confident | 91.7 | Very high | 25 Ų | 25 | 57.6 Ų | 57.6 | 13% | 0.131 | 29% | 0.292 | C | S | . | . | trans | -74.7 | -30.9 | 178.2 | -59.8 | 174.5 | 0 | 0 | 0 | 112.2 | L334 V364 E365 L368 I383 | L334-L360 HydrophobicContact CD1-CD2 4.08Å; L360-V364 HydrophobicContact CB-CG1 4.26Å; L360-V364 WeakPolarHBondContact O-CG2 3.26Å; L360-E365 HydrophobicContact CB-CG 4.18Å; L360-L368 HydrophobicContact CD1-CD1 3.77Å; L360-I383 HydrophobicContact CD1-CG2 3.72Å | ||
| 361 | G | 90.1 | Very high | 91.7 | Very high | 24 Ų | 24 | 57.7 Ų | 57.7 | 25% | 0.247 | 29% | 0.292 | C | S | . | . | trans | 98.5 | 143.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q363 V364 E365 | G361-Q363 VanDerWaalsContact C-N 3.31Å; G361-Q363 PolarHBondContact O-N 3.47Å; G361-V364 PolarHBondContact O-N 2.89Å; G361-V364 VanDerWaalsContact O-N 3.14Å; G361-E365 PolarHBondContact O-N 2.97Å | ||
| 362 | N | 92.6 | Very high | 91.7 | Very high | 112 Ų | 112 | 55.5 Ų | 55.5 | 60% | 0.599 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -57.9 | -39 | -171 | -61.9 | -8.7 | 0 | 0 | 0 | 113.7 | M366 M387 | N362-M366 PolarHBondContact O-N 3Å; N362-M366 VanDerWaalsContact O-N 3.1Å; N362-M387 HydrophobicContact CB-SD 4.37Å |
| 363 | Q | 93.5 | Very high | 91.7 | Very high | 126 Ų | 126 | 59.1 Ų | 59.1 | 59% | 0.589 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -66.9 | -44.7 | 179.5 | -174.7 | 59.7 | 47.1 | 0 | 0 | 111.3 | G361 M366 D367 | G361-Q363 VanDerWaalsContact C-N 3.31Å; G361-Q363 PolarHBondContact O-N 3.47Å; Q363-M366 PolarHBondContact O-N 3.45Å; Q363-D367 PolarHBondContact NE2-OD1 3.07Å; Q363-D367 PolarHBondContact O-N 3.28Å |
| 364 | V | 94.8 | Very high | 91.8 | Very high | 11 Ų | 11 | 61.3 Ų | 61.3 | 7% | 0.067 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.2 | -44.5 | 177.2 | 178.3 | 0 | 0 | 0 | 0 | 110.3 | G331 E332 V335 L360 G361 M366 D367 L368 | G331-V364 VanDerWaalsContact C-CG1 3.41Å; G331-V364 VanDerWaalsContact O-CG1 3.31Å; G331-V364 WeakPolarHBondContact O-CG1 3.31Å; E332-V364 WeakPolarHBondContact OE1-CG2 3.25Å; V335-V364 HydrophobicContact CG2-CG1 3.77Å; L360-V364 HydrophobicContact CB-CG1 4.26Å; L360-V364 WeakPolarHBondContact O-CG2 3.26Å; G361-V364 PolarHBondContact O-N 2.89Å; G361-V364 VanDerWaalsContact O-N 3.14Å; V364-M366 VanDerWaalsContact C-N 3.28Å; V364-M366 PolarHBondContact O-N 3.27Å; V364-D367 PolarHBondContact O-N 3.34Å; V364-D367 VanDerWaalsContact O-N 3.12Å; V364-L368 HydrophobicContact CG1-CD1 4.04Å; V364-L368 HydrophobicContact CG1-CG 4.25Å; V364-L368 WeakPolarHBondContact O-CB 3.49Å; V364-L368 VanDerWaalsContact O-CG 3.29Å; V364-L368 WeakPolarHBondContact O-CG 3.39Å; V364-L368 PolarHBondContact O-N 2.94Å |
| 365 | E | 94.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59 | -38.5 | 177.2 | -73.6 | -170.6 | -163.9 | 0 | 0 | 112.3 | L360 G361 A369 F385 N386 M387 A390 | L360-E365 HydrophobicContact CB-CG 4.18Å; G361-E365 PolarHBondContact O-N 2.97Å; E365-A369 WeakPolarHBondContact O-CB 3.05Å; E365-A369 PolarHBondContact O-N 3.42Å; E365-F385 HydrophobicContact CB-CD1 4.05Å; E365-F385 HydrophobicContact CG-CD1 4.05Å; E365-N386 VanDerWaalsContact CD-N 3.32Å; E365-N386 PolarHBondContact OE1-N 3.29Å; E365-N386 PolarHBondContact OE1-ND2 3.5Å; E365-N386 PolarHBondContact OE2-N 3.04Å; E365-M387 VanDerWaalsContact OE2-CB 3.3Å; E365-M387 WeakPolarHBondContact OE2-CB 3.37Å; E365-M387 PolarHBondContact OE2-N 3.37Å; E365-A390 HydrophobicContact CB-CB 4.17Å |
| 366 | M | 95.2 | Very high | 91.7 | Very high | 36 Ų | 36 | 56.8 Ų | 56.8 | 18% | 0.177 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -69.5 | -37.4 | 173.8 | -78.6 | -59.4 | -88.4 | 0 | 0 | 113.6 | N362 Q363 V364 A369 R370 M387 E389 A390 R393 | N362-M366 PolarHBondContact O-N 3Å; N362-M366 VanDerWaalsContact O-N 3.1Å; Q363-M366 PolarHBondContact O-N 3.45Å; V364-M366 VanDerWaalsContact C-N 3.28Å; V364-M366 PolarHBondContact O-N 3.27Å; M366-A369 PolarHBondContact O-N 2.85Å; M366-R370 WeakPolarHBondContact O-CG 3.39Å; M366-R370 PolarHBondContact O-N 3.2Å; M366-M387 HydrophobicContact CE-CE 4.41Å; M366-M387 HydrophobicContact CG-CE 3.22Å; M366-M387 HydrophobicContact CG-SD 4.46Å; M366-M387 HydrophobicContact SD-CE 3.11Å; M366-M387 WeakPolarHBondContact SD-CE 3.21Å; M366-E389 HydrophobicContact CE-CG 4.47Å; M366-E389 WeakPolarHBondContact CE-OE1 3.24Å; M366-E389 HydrophobicContact SD-CG 4.45Å; M366-A390 HydrophobicContact SD-CB 4.41Å; M366-R393 VanDerWaalsContact CE-NH1 3.34Å |
| 367 | D | 96.2 | Very high | 91.9 | Very high | 25 Ų | 25 | 49.4 Ų | 49.4 | 13% | 0.134 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67.1 | -39.8 | 175.9 | -79.3 | 31.6 | 0 | 0 | 0 | 111.5 | V335 R339 Q363 V364 R370 A371 | V335-D367 HydrophobicContact CG1-CB 4.06Å; V335-D367 HydrophobicContact CG2-CB 3.9Å; R339-D367 IonicContact NH2-OD2 2.64Å; R339-D367 PolarHBondContact NH2-OD2 3.39Å; Q363-D367 PolarHBondContact NE2-OD1 3.07Å; Q363-D367 PolarHBondContact O-N 3.28Å; V364-D367 PolarHBondContact O-N 3.34Å; V364-D367 VanDerWaalsContact O-N 3.12Å; D367-R370 PolarHBondContact O-N 2.85Å; D367-R370 IonicContact OD1-CZ 2.62Å; D367-R370 IonicContact OD1-NE 3.57Å; D367-R370 IonicContact OD1-NH2 3.39Å; D367-R370 PolarHBondContact OD1-NH2 3.38Å; D367-R370 IonicContact OD2-NH2 3.77Å; D367-A371 WeakPolarHBondContact O-CB 3.3Å; D367-A371 PolarHBondContact O-N 2.98Å |
| 368 | L | 95.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.3 | -47.5 | 171.6 | -71.8 | 171.6 | 0 | 0 | 0 | 110.9 | L334 V335 L338 L360 V364 R370 A371 V372 I383 F385 | L334-L368 HydrophobicContact CB-CD2 4Å; V335-L368 HydrophobicContact CB-CD2 4.33Å; V335-L368 HydrophobicContact CG2-CD2 3.64Å; V335-L368 HydrophobicContact CG2-CG 3.66Å; L338-L368 HydrophobicContact CD1-CD2 3.53Å; L338-L368 HydrophobicContact CG-CD2 4.44Å; L360-L368 HydrophobicContact CD1-CD1 3.77Å; V364-L368 HydrophobicContact CG1-CD1 4.04Å; V364-L368 HydrophobicContact CG1-CG 4.25Å; V364-L368 WeakPolarHBondContact O-CB 3.49Å; V364-L368 VanDerWaalsContact O-CG 3.29Å; V364-L368 WeakPolarHBondContact O-CG 3.39Å; V364-L368 PolarHBondContact O-N 2.94Å; L368-R370 VanDerWaalsContact C-N 3.34Å; L368-R370 PolarHBondContact O-N 2.86Å; L368-A371 PolarHBondContact O-N 2.95Å; L368-A371 VanDerWaalsContact O-N 3.16Å; L368-V372 WeakPolarHBondContact O-CG2 3.33Å; L368-V372 PolarHBondContact O-N 3.39Å; L368-I383 HydrophobicContact CD1-CG2 4.32Å; L368-I383 HydrophobicContact CD2-CD1 4.37Å; L368-F385 HydrophobicContact CB-CE1 3.8Å; L368-F385 HydrophobicContact CB-CZ 4.33Å; L368-F385 HydrophobicContact CD1-CE1 4.2Å |
| 369 | A | 95.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.8 | -44.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | E365 M366 A371 V372 E373 A390 R393 V394 | E365-A369 WeakPolarHBondContact O-CB 3.05Å; E365-A369 PolarHBondContact O-N 3.42Å; M366-A369 PolarHBondContact O-N 2.85Å; A369-A371 PolarHBondContact O-N 3.49Å; A369-V372 PolarHBondContact O-N 3.28Å; A369-E373 WeakPolarHBondContact O-CG 3.49Å; A369-E373 PolarHBondContact O-N 2.98Å; A369-A390 HydrophobicContact CB-CB 4.12Å; A369-R393 HydrophobicContact CB-CB 4.41Å; A369-V394 HydrophobicContact CB-CG2 3.9Å |
| 370 | R | 95.9 | Very high | 93.5 | Very high | 114 Ų | 114 | 45.6 Ų | 45.6 | 43% | 0.43 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -61.5 | -42.9 | 174.5 | -72.9 | -172.2 | -71.2 | 178.1 | 0.4 | 112.4 | M366 D367 L368 V372 E373 E374 | M366-R370 WeakPolarHBondContact O-CG 3.39Å; M366-R370 PolarHBondContact O-N 3.2Å; D367-R370 PolarHBondContact O-N 2.85Å; D367-R370 IonicContact OD1-CZ 2.62Å; D367-R370 IonicContact OD1-NE 3.57Å; D367-R370 IonicContact OD1-NH2 3.39Å; D367-R370 PolarHBondContact OD1-NH2 3.38Å; D367-R370 IonicContact OD2-NH2 3.77Å; L368-R370 VanDerWaalsContact C-N 3.34Å; L368-R370 PolarHBondContact O-N 2.86Å; R370-V372 VanDerWaalsContact C-N 3.32Å; R370-V372 PolarHBondContact O-N 3.36Å; R370-E373 PolarHBondContact O-N 3.32Å; R370-E374 WeakPolarHBondContact O-CG 3.49Å; R370-E374 PolarHBondContact O-N 3.44Å |
| 371 | A | 95.4 | Very high | 93.8 | Very high | 3 Ų | 3 | 45.4 Ų | 45.4 | 3% | 0.025 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.8 | -37.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | L338 R339 N342 D367 L368 A369 | L338-A371 HydrophobicContact CB-CB 3.92Å; R339-A371 HydrophobicContact CG-CB 4.33Å; N342-A371 PolarHBondContact ND2-O 3.19Å; N342-A371 PolarHBondContact OD1-O 2.9Å; D367-A371 WeakPolarHBondContact O-CB 3.3Å; D367-A371 PolarHBondContact O-N 2.98Å; L368-A371 PolarHBondContact O-N 2.95Å; L368-A371 VanDerWaalsContact O-N 3.16Å; A369-A371 PolarHBondContact O-N 3.49Å |
| 372 | V | 95.3 | Very high | 94 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68.9 | -39.7 | 175.8 | 175.9 | 0 | 0 | 0 | 0 | 111.7 | L338 L368 A369 R370 E374 N375 V381 V394 A397 L398 | L338-V372 HydrophobicContact CD1-CG2 3.89Å; L368-V372 WeakPolarHBondContact O-CG2 3.33Å; L368-V372 PolarHBondContact O-N 3.39Å; A369-V372 PolarHBondContact O-N 3.28Å; R370-V372 VanDerWaalsContact C-N 3.32Å; R370-V372 PolarHBondContact O-N 3.36Å; V372-E374 VanDerWaalsContact C-N 3.31Å; V372-E374 PolarHBondContact O-N 3.4Å; V372-N375 WeakPolarHBondContact O-CB 3.3Å; V372-N375 PolarHBondContact O-N 3.12Å; V372-V381 HydrophobicContact CG1-CG2 4.35Å; V372-V381 HydrophobicContact CG2-CG2 4.21Å; V372-V394 HydrophobicContact CB-CG2 4.32Å; V372-V394 HydrophobicContact CG1-CG1 4.26Å; V372-V394 HydrophobicContact CG2-CG2 4.42Å; V372-A397 HydrophobicContact CG1-CB 4.22Å; V372-L398 HydrophobicContact CG1-CD2 4.2Å |
| 373 | E | 93.9 | Very high | 94 | Very high | 80 Ų | 80 | 39.8 Ų | 39.8 | 37% | 0.374 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -63.7 | -33.3 | 177.3 | -75.5 | 177.9 | 170.7 | 0 | 0 | 114 | A369 R370 N375 R393 A397 | A369-E373 WeakPolarHBondContact O-CG 3.49Å; A369-E373 PolarHBondContact O-N 2.98Å; R370-E373 PolarHBondContact O-N 3.32Å; E373-N375 PolarHBondContact O-N 3.28Å; E373-R393 WeakPolarHBondContact OE1-CB 3.45Å; E373-R393 IonicContact OE1-CZ 3.69Å; E373-R393 VanDerWaalsContact OE1-CZ 3.25Å; E373-R393 IonicContact OE1-NE 2.63Å; E373-R393 PolarHBondContact OE1-NE 3.1Å; E373-R393 IonicContact OE1-NH2 3.87Å; E373-R393 PolarHBondContact OE1-NH2 3.12Å; E373-R393 IonicContact OE2-CZ 3.06Å; E373-R393 IonicContact OE2-NE 3.25Å; E373-R393 IonicContact OE2-NH2 3.64Å; E373-R393 PolarHBondContact OE2-NH2 3.07Å; E373-A397 HydrophobicContact CG-CB 4.04Å |
| 374 | E | 93.4 | Very high | 93.9 | Very high | 130 Ų | 130 | 37.8 Ų | 37.8 | 61% | 0.607 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -70 | -19.9 | 174.5 | -72.5 | 173.2 | -176 | 0 | 0 | 112.4 | N342 Q345 R370 V372 | N342-E374 PolarHBondContact ND2-OE2 3.14Å; Q345-E374 PolarHBondContact NE2-O 3.03Å; R370-E374 WeakPolarHBondContact O-CG 3.49Å; R370-E374 PolarHBondContact O-N 3.44Å; V372-E374 VanDerWaalsContact C-N 3.31Å; V372-E374 PolarHBondContact O-N 3.4Å |
| 375 | N | 92.1 | Very high | 93.8 | Very high | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.011 | 19% | 0.185 | C | C | . | . | trans | -88.7 | 127.5 | -179.3 | -159.9 | -68.7 | 0 | 0 | 0 | 111.8 | N342 V372 E373 T377 L378 N401 | N342-N375 VanDerWaalsContact OD1-CB 3.23Å; N342-N375 WeakPolarHBondContact OD1-CB 3.45Å; N342-N375 PolarHBondContact OD1-ND2 2.99Å; V372-N375 WeakPolarHBondContact O-CB 3.3Å; V372-N375 PolarHBondContact O-N 3.12Å; E373-N375 PolarHBondContact O-N 3.28Å; N375-T377 PolarHBondContact OD1-N 3.02Å; N375-T377 PolarHBondContact OD1-OG1 3.03Å; N375-T377 VanDerWaalsContact OD1-OG1 3.1Å; N375-L378 HydrophobicContact CB-CD1 3.82Å; N375-L378 HydrophobicContact CB-CG 4.2Å; N375-L378 WeakPolarHBondContact OD1-CG 3.35Å; N375-L378 PolarHBondContact OD1-N 3.27Å; N375-N401 PolarHBondContact O-ND2 3.33Å; N375-N401 PolarHBondContact O-OD1 3.31Å | ||
| 376 | G | 89.7 | Confident | 93.6 | Very high | 18 Ų | 18 | 42 Ų | 42 | 19% | 0.186 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -95.7 | -5.6 | 179 | 0 | 0 | 0 | 0 | 0 | 116.2 | N401 | G376-N401 WeakPolarHBondContact CA-OD1 3.38Å; G376-N401 PolarHBondContact O-OD1 3.45Å |
| 377 | T | 91.1 | Very high | 93.5 | Very high | 45 Ų | 45 | 42.3 Ų | 42.3 | 28% | 0.276 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -118.6 | -21.1 | -169.4 | 62.8 | 0 | 0 | 0 | 0 | 114.4 | Q345 L347 N375 L379 | Q345-T377 VanDerWaalsContact C-OG1 3.27Å; Q345-T377 HydrophobicContact CB-CG2 4.01Å; Q345-T377 WeakPolarHBondContact O-CG2 3.39Å; Q345-T377 PolarHBondContact O-OG1 3.24Å; Q345-T377 VanDerWaalsContact O-OG1 3.14Å; L347-T377 CarbonylContact O-C 3.46Å; L347-T377 PolarHBondContact O-OG1 3.34Å; L347-T377 VanDerWaalsContact O-OG1 3.05Å; N375-T377 PolarHBondContact OD1-N 3.02Å; N375-T377 PolarHBondContact OD1-OG1 3.03Å; N375-T377 VanDerWaalsContact OD1-OG1 3.1Å; T377-L379 PolarHBondContact O-N 3.36Å |
| 378 | L | 93.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | trans | -62.2 | 123.4 | 174 | -72.3 | 172.8 | 0 | 0 | 0 | 109.9 | L338 L347 I350 N375 V381 L398 N401 | L338-L378 HydrophobicContact CD2-CD1 3.99Å; L347-L378 HydrophobicContact CB-CD2 4.07Å; L347-L378 HydrophobicContact CD2-CD2 4.13Å; L347-L378 HydrophobicContact CG-CD2 4.06Å; L347-L378 WeakPolarHBondContact O-CD2 3.11Å; I350-L378 HydrophobicContact CG2-CD2 4.1Å; N375-L378 HydrophobicContact CB-CD1 3.82Å; N375-L378 HydrophobicContact CB-CG 4.2Å; N375-L378 WeakPolarHBondContact OD1-CG 3.35Å; N375-L378 PolarHBondContact OD1-N 3.27Å; L378-V381 HydrophobicContact CB-CG2 4.42Å; L378-V381 HydrophobicContact CD1-CG2 4.3Å; L378-L398 HydrophobicContact CB-CD2 4.22Å; L378-L398 VanDerWaalsContact O-CD2 3.27Å; L378-L398 WeakPolarHBondContact O-CD2 3.44Å; L378-N401 WeakPolarHBondContact O-CB 3.31Å; L378-N401 PolarHBondContact O-ND2 3.49Å | ||
| 379 | L | 92.9 | Very high | 93.4 | Very high | 60 Ų | 60 | 52.4 Ų | 52.4 | 31% | 0.314 | 26% | 0.257 | S | S | . | . | trans | -106.8 | -29.6 | 175.6 | -62.6 | -176.3 | 0 | 0 | 0 | 111.7 | V348 T377 N401 Y402 | V348-L379 HydrophobicContact CG1-CB 4.01Å; V348-L379 HydrophobicContact CG1-CD1 3.72Å; V348-L379 HydrophobicContact CG1-CG 3.88Å; V348-L379 PolarHBondContact O-N 3.41Å; T377-L379 PolarHBondContact O-N 3.36Å; L379-N401 HydrophobicContact CD2-CB 4.1Å; L379-Y402 HydrophobicContact CD2-CD2 4.43Å | ||
| 380 | R | 93.9 | Very high | 93.3 | Very high | 147 Ų | 147 | 52.4 Ų | 52.4 | 56% | 0.555 | 26% | 0.257 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 124.7 | -179.3 | -53 | -178.2 | 81.9 | 162.4 | -0.5 | 110.8 | V348 E349 I350 | V348-R380 PolarHBondContact O-N 3.42Å; V348-R380 VanDerWaalsContact O-N 3.15Å; E349-R380 WeakPolarHBondContact CA-O 3.4Å; E349-R380 HydrophobicContact CB-CB 4.3Å; E349-R380 HydrophobicContact CG-CB 4Å; E349-R380 HydrophobicContact CG-CG 4.16Å; E349-R380 WeakPolarHBondContact OE1-CD 3.36Å; E349-R380 IonicContact OE1-NH1 2.66Å; I350-R380 PolarHBondContact N-O 3.05Å |
| 381 | V | 94.7 | Very high | 93.3 | Very high | 21 Ų | 21 | 52.1 Ų | 52.1 | 13% | 0.127 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 103.7 | 175.8 | 177.1 | 0 | 0 | 0 | 0 | 107.7 | I350 V372 L378 I383 L398 | I350-V381 HydrophobicContact CG2-CB 4.25Å; I350-V381 HydrophobicContact CG2-CG1 4.16Å; I350-V381 HydrophobicContact CG2-CG2 3.9Å; I350-V381 CarbonylContact O-C 3.31Å; I350-V381 WeakPolarHBondContact O-CA 3.48Å; V372-V381 HydrophobicContact CG1-CG2 4.35Å; V372-V381 HydrophobicContact CG2-CG2 4.21Å; L378-V381 HydrophobicContact CB-CG2 4.42Å; L378-V381 HydrophobicContact CD1-CG2 4.3Å; V381-I383 VanDerWaalsContact C-N 3.29Å; V381-I383 HydrophobicContact CG1-CB 4.07Å; V381-I383 HydrophobicContact CG1-CD1 3.92Å; V381-I383 HydrophobicContact CG1-CG1 3.88Å; V381-I383 PolarHBondContact O-N 3.49Å; V381-I383 VanDerWaalsContact O-N 3.12Å; V381-L398 HydrophobicContact CB-CD1 4.23Å; V381-L398 HydrophobicContact CG2-CD1 4.28Å; V381-L398 HydrophobicContact CG2-CD2 3.91Å |
| 382 | G | 93.6 | Very high | 93.3 | Very high | 5 Ų | 5 | 59.9 Ų | 59.9 | 5% | 0.052 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 75.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | I350 A352 E353 | I350-G382 PolarHBondContact O-N 3.45Å; A352-G382 CarbonylContact C-O 3.59Å; A352-G382 WeakPolarHBondContact CA-O 3.45Å; A352-G382 PolarHBondContact N-O 3.35Å; E353-G382 WeakPolarHBondContact CG-O 3.37Å; E353-G382 PolarHBondContact N-O 2.68Å; E353-G382 VanDerWaalsContact N-O 3.11Å; E353-G382 WeakPolarHBondContact OE1-CA 3.41Å |
| 383 | I | 92.4 | Very high | 93.4 | Very high | 12 Ų | 12 | 62.7 Ų | 62.7 | 6% | 0.062 | 30% | 0.297 | C | S | . | . | trans | -136.9 | 128.5 | 169.6 | -61.9 | 176.7 | 0 | 0 | 0 | 107 | L338 A352 L360 L368 V381 F385 | L338-I383 HydrophobicContact CD1-CD1 4.18Å; A352-I383 HydrophobicContact CB-CG1 4.13Å; L360-I383 HydrophobicContact CD1-CG2 3.72Å; L368-I383 HydrophobicContact CD1-CG2 4.32Å; L368-I383 HydrophobicContact CD2-CD1 4.37Å; V381-I383 VanDerWaalsContact C-N 3.29Å; V381-I383 HydrophobicContact CG1-CB 4.07Å; V381-I383 HydrophobicContact CG1-CD1 3.92Å; V381-I383 HydrophobicContact CG1-CG1 3.88Å; V381-I383 PolarHBondContact O-N 3.49Å; V381-I383 VanDerWaalsContact O-N 3.12Å; I383-F385 HydrophobicContact CB-CE2 3.97Å; I383-F385 HydrophobicContact CB-CZ 4.11Å; I383-F385 HydrophobicContact CG2-CE1 4.35Å; I383-F385 HydrophobicContact CG2-CE2 4.1Å; I383-F385 HydrophobicContact CG2-CZ 3.99Å; I383-F385 VanDerWaalsContact O-CD2 3.23Å; I383-F385 WeakPolarHBondContact O-CD2 3.22Å; I383-F385 VanDerWaalsContact O-CE2 3.32Å; I383-F385 WeakPolarHBondContact O-CE2 3.23Å | ||
| 384 | T | 91.5 | Very high | 93.5 | Very high | 84 Ų | 84 | 59.2 Ų | 59.2 | 52% | 0.515 | 28% | 0.281 | S | S | . | . | trans | -83.1 | 123.2 | 175.2 | -46.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 385 | F | 92.3 | Very high | 93.6 | Very high | 10 Ų | 10 | 56.7 Ų | 56.7 | 4% | 0.044 | 28% | 0.278 | C | S | . | . | trans | -106.4 | 132.4 | 175.3 | -58.2 | -94.3 | 0 | 0 | 0 | 110.1 | E365 L368 I383 A390 R391 V394 | E365-F385 HydrophobicContact CB-CD1 4.05Å; E365-F385 HydrophobicContact CG-CD1 4.05Å; L368-F385 HydrophobicContact CB-CE1 3.8Å; L368-F385 HydrophobicContact CB-CZ 4.33Å; L368-F385 HydrophobicContact CD1-CE1 4.2Å; I383-F385 HydrophobicContact CB-CE2 3.97Å; I383-F385 HydrophobicContact CB-CZ 4.11Å; I383-F385 HydrophobicContact CG2-CE1 4.35Å; I383-F385 HydrophobicContact CG2-CE2 4.1Å; I383-F385 HydrophobicContact CG2-CZ 3.99Å; I383-F385 VanDerWaalsContact O-CD2 3.23Å; I383-F385 WeakPolarHBondContact O-CD2 3.22Å; I383-F385 VanDerWaalsContact O-CE2 3.32Å; I383-F385 WeakPolarHBondContact O-CE2 3.23Å; F385-A390 HydrophobicContact CB-CB 4.47Å; F385-A390 HydrophobicContact CD1-CB 3.9Å; F385-A390 HydrophobicContact CG-CB 4.44Å; F385-R391 HydrophobicContact CB-CG 3.5Å; F385-R391 VanDerWaalsContact CB-CG 3.5Å; F385-R391 HydrophobicContact CG-CG 4.41Å; F385-R391 VanDerWaalsContact O-CD 3.26Å; F385-R391 WeakPolarHBondContact O-CD 3.38Å; F385-V394 HydrophobicContact CE1-CG2 4.18Å; F385-V394 HydrophobicContact CE2-CB 4.27Å; F385-V394 HydrophobicContact CE2-CG1 4Å; F385-V394 HydrophobicContact CE2-CG2 3.94Å; F385-V394 HydrophobicContact CZ-CB 4.5Å; F385-V394 HydrophobicContact CZ-CG1 4.41Å; F385-V394 HydrophobicContact CZ-CG2 3.69Å | ||
| 386 | N | 91.4 | Very high | 93.7 | Very high | 89 Ų | 89 | 58.9 Ų | 58.9 | 48% | 0.476 | 29% | 0.289 | S | S | . | . | trans | -85.2 | -30.1 | 175.3 | -65.5 | -57.3 | 0 | 0 | 0 | 111.7 | E365 | E365-N386 VanDerWaalsContact CD-N 3.32Å; E365-N386 PolarHBondContact OE1-N 3.29Å; E365-N386 PolarHBondContact OE1-ND2 3.5Å; E365-N386 PolarHBondContact OE2-N 3.04Å | ||
| 387 | M | 92.8 | Very high | 93.9 | Very high | 43 Ų | 43 | 58.4 Ų | 58.4 | 21% | 0.212 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -80.8 | 124.6 | -177.9 | -160.6 | 172.6 | 72.4 | 0 | 0 | 111.9 | N362 E365 M366 E389 A390 R391 | N362-M387 HydrophobicContact CB-SD 4.37Å; E365-M387 VanDerWaalsContact OE2-CB 3.3Å; E365-M387 WeakPolarHBondContact OE2-CB 3.37Å; E365-M387 PolarHBondContact OE2-N 3.37Å; M366-M387 HydrophobicContact CE-CE 4.41Å; M366-M387 HydrophobicContact CG-CE 3.22Å; M366-M387 HydrophobicContact CG-SD 4.46Å; M366-M387 HydrophobicContact SD-CE 3.11Å; M366-M387 WeakPolarHBondContact SD-CE 3.21Å; M387-E389 VanDerWaalsContact C-N 3.29Å; M387-E389 HydrophobicContact CE-CB 4.07Å; M387-E389 PolarHBondContact O-N 3.37Å; M387-A390 HydrophobicContact CB-CB 4.25Å; M387-A390 HydrophobicContact CE-CB 3.96Å; M387-A390 PolarHBondContact O-N 2.9Å; M387-R391 PolarHBondContact O-N 3.16Å |
| 388 | M | 93.6 | Very high | 94.1 | Very high | 130 Ų | 130 | 57.6 Ų | 57.6 | 64% | 0.64 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -53.8 | -43.2 | -179.8 | -67.7 | -63.1 | -50.5 | 0 | 0 | 113.2 | R391 Y392 | M388-R391 PolarHBondContact O-N 3.16Å; M388-R391 PolarHBondContact SD-NH2 3.43Å; M388-Y392 PolarHBondContact O-N 3.03Å |
| 389 | E | 95.4 | Very high | 94.1 | Very high | 107 Ų | 107 | 63.4 Ų | 63.4 | 50% | 0.5 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -66.1 | -47.2 | -178 | -178.8 | -178 | 168.6 | 0 | 0 | 111.4 | M366 M387 R391 Y392 R393 | M366-E389 HydrophobicContact CE-CG 4.47Å; M366-E389 WeakPolarHBondContact CE-OE1 3.24Å; M366-E389 HydrophobicContact SD-CG 4.45Å; M387-E389 VanDerWaalsContact C-N 3.29Å; M387-E389 HydrophobicContact CE-CB 4.07Å; M387-E389 PolarHBondContact O-N 3.37Å; E389-R391 VanDerWaalsContact C-N 3.32Å; E389-R391 PolarHBondContact O-N 3.39Å; E389-Y392 PolarHBondContact O-N 3.06Å; E389-R393 HydrophobicContact CG-CG 4.46Å; E389-R393 WeakPolarHBondContact O-CB 3.47Å; E389-R393 VanDerWaalsContact O-CG 3.29Å; E389-R393 WeakPolarHBondContact O-CG 3.49Å; E389-R393 PolarHBondContact O-N 3.16Å |
| 390 | A | 94.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.9 | -43.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.2 | E365 M366 A369 F385 M387 Y392 R393 V394 | E365-A390 HydrophobicContact CB-CB 4.17Å; M366-A390 HydrophobicContact SD-CB 4.41Å; A369-A390 HydrophobicContact CB-CB 4.12Å; F385-A390 HydrophobicContact CB-CB 4.47Å; F385-A390 HydrophobicContact CD1-CB 3.9Å; F385-A390 HydrophobicContact CG-CB 4.44Å; M387-A390 HydrophobicContact CB-CB 4.25Å; M387-A390 HydrophobicContact CE-CB 3.96Å; M387-A390 PolarHBondContact O-N 2.9Å; A390-Y392 PolarHBondContact O-N 3.01Å; A390-R393 PolarHBondContact O-N 3.22Å; A390-V394 WeakPolarHBondContact O-CB 3.42Å; A390-V394 VanDerWaalsContact O-CG2 3.29Å; A390-V394 WeakPolarHBondContact O-CG2 3.33Å; A390-V394 PolarHBondContact O-N 3.39Å |
| 391 | R | 94.8 | Very high | 94 | Very high | 109 Ų | 109 | 58.3 Ų | 58.3 | 41% | 0.411 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -55.8 | -51.8 | 173.8 | -76.8 | -163.8 | -61.1 | -154.4 | 21.7 | 112.8 | F385 M387 M388 E389 R393 V394 S395 | F385-R391 HydrophobicContact CB-CG 3.5Å; F385-R391 VanDerWaalsContact CB-CG 3.5Å; F385-R391 HydrophobicContact CG-CG 4.41Å; F385-R391 VanDerWaalsContact O-CD 3.26Å; F385-R391 WeakPolarHBondContact O-CD 3.38Å; M387-R391 PolarHBondContact O-N 3.16Å; M388-R391 PolarHBondContact O-N 3.16Å; M388-R391 PolarHBondContact SD-NH2 3.43Å; E389-R391 VanDerWaalsContact C-N 3.32Å; E389-R391 PolarHBondContact O-N 3.39Å; R391-R393 PolarHBondContact O-N 3.1Å; R391-V394 PolarHBondContact O-N 3.44Å; R391-S395 WeakPolarHBondContact O-CB 3.48Å; R391-S395 PolarHBondContact O-N 2.98Å; R391-S395 PolarHBondContact O-OG 2.85Å; R391-S395 VanDerWaalsContact O-OG 3.11Å |
| 392 | Y | 96.4 | Very high | 93.8 | Very high | 165 Ų | 165 | 64.3 Ų | 64.3 | 65% | 0.647 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -61 | -46.6 | -177.8 | 177.1 | -94.7 | 0 | 0 | 0 | 111.4 | M388 E389 A390 V394 S395 D396 | M388-Y392 PolarHBondContact O-N 3.03Å; E389-Y392 PolarHBondContact O-N 3.06Å; A390-Y392 PolarHBondContact O-N 3.01Å; Y392-V394 PolarHBondContact O-N 2.93Å; Y392-S395 PolarHBondContact O-N 3.27Å; Y392-D396 WeakPolarHBondContact O-CB 3.26Å; Y392-D396 PolarHBondContact O-N 3.45Å |
| 393 | R | 96.2 | Very high | 93.6 | Very high | 60 Ų | 60 | 70.1 Ų | 70.1 | 23% | 0.226 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.3 | -43.5 | -179.7 | -69.9 | -180 | 72.5 | 175.9 | 0.8 | 112.5 | M366 A369 E373 E389 A390 R391 A397 | M366-R393 VanDerWaalsContact CE-NH1 3.34Å; A369-R393 HydrophobicContact CB-CB 4.41Å; E373-R393 WeakPolarHBondContact OE1-CB 3.45Å; E373-R393 IonicContact OE1-CZ 3.69Å; E373-R393 VanDerWaalsContact OE1-CZ 3.25Å; E373-R393 IonicContact OE1-NE 2.63Å; E373-R393 PolarHBondContact OE1-NE 3.1Å; E373-R393 IonicContact OE1-NH2 3.87Å; E373-R393 PolarHBondContact OE1-NH2 3.12Å; E373-R393 IonicContact OE2-CZ 3.06Å; E373-R393 IonicContact OE2-NE 3.25Å; E373-R393 IonicContact OE2-NH2 3.64Å; E373-R393 PolarHBondContact OE2-NH2 3.07Å; E389-R393 HydrophobicContact CG-CG 4.46Å; E389-R393 WeakPolarHBondContact O-CB 3.47Å; E389-R393 VanDerWaalsContact O-CG 3.29Å; E389-R393 WeakPolarHBondContact O-CG 3.49Å; E389-R393 PolarHBondContact O-N 3.16Å; A390-R393 PolarHBondContact O-N 3.22Å; R391-R393 PolarHBondContact O-N 3.1Å; R393-A397 WeakPolarHBondContact O-CB 3.48Å; R393-A397 PolarHBondContact O-N 3.23Å |
| 394 | V | 96 | Very high | 93.2 | Very high | 7 Ų | 7 | 78 Ų | 78 | 4% | 0.042 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64.3 | -46.6 | 176 | 169.4 | 0 | 0 | 0 | 0 | 110.8 | A369 V372 F385 A390 R391 Y392 D396 A397 L398 | A369-V394 HydrophobicContact CB-CG2 3.9Å; V372-V394 HydrophobicContact CB-CG2 4.32Å; V372-V394 HydrophobicContact CG1-CG1 4.26Å; V372-V394 HydrophobicContact CG2-CG2 4.42Å; F385-V394 HydrophobicContact CE1-CG2 4.18Å; F385-V394 HydrophobicContact CE2-CB 4.27Å; F385-V394 HydrophobicContact CE2-CG1 4Å; F385-V394 HydrophobicContact CE2-CG2 3.94Å; F385-V394 HydrophobicContact CZ-CB 4.5Å; F385-V394 HydrophobicContact CZ-CG1 4.41Å; F385-V394 HydrophobicContact CZ-CG2 3.69Å; A390-V394 WeakPolarHBondContact O-CB 3.42Å; A390-V394 VanDerWaalsContact O-CG2 3.29Å; A390-V394 WeakPolarHBondContact O-CG2 3.33Å; A390-V394 PolarHBondContact O-N 3.39Å; R391-V394 PolarHBondContact O-N 3.44Å; Y392-V394 PolarHBondContact O-N 2.93Å; V394-D396 PolarHBondContact O-N 2.86Å; V394-A397 PolarHBondContact O-N 3.26Å; V394-L398 HydrophobicContact CG1-CD1 4.01Å; V394-L398 HydrophobicContact CG1-CG 4.34Å; V394-L398 VanDerWaalsContact O-CG 3.29Å; V394-L398 WeakPolarHBondContact O-CG 3.33Å; V394-L398 PolarHBondContact O-N 3.47Å |
| 395 | S | 95.3 | Very high | 92 | Very high | 76 Ų | 76 | 76.7 Ų | 76.7 | 53% | 0.531 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60 | -45.9 | 177.7 | -65.1 | 0 | 0 | 0 | 0 | 112.5 | R391 Y392 A397 L398 E399 | R391-S395 WeakPolarHBondContact O-CB 3.48Å; R391-S395 PolarHBondContact O-N 2.98Å; R391-S395 PolarHBondContact O-OG 2.85Å; R391-S395 VanDerWaalsContact O-OG 3.11Å; Y392-S395 PolarHBondContact O-N 3.27Å; S395-A397 PolarHBondContact O-N 2.98Å; S395-L398 PolarHBondContact O-N 3.13Å; S395-E399 WeakPolarHBondContact O-CB 3.42Å; S395-E399 PolarHBondContact O-N 3.14Å |
| 396 | D | 95.7 | Very high | 90 | Very high | 48 Ų | 48 | 78.6 Ų | 78.6 | 26% | 0.257 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.4 | -38.8 | 177.3 | 180 | 46.3 | 0 | 0 | 0 | 111.8 | Y392 V394 K400 | Y392-D396 WeakPolarHBondContact O-CB 3.26Å; Y392-D396 PolarHBondContact O-N 3.45Å; V394-D396 PolarHBondContact O-N 2.86Å; D396-K400 VanDerWaalsContact CG-NZ 3.3Å; D396-K400 VanDerWaalsContact O-CG 3.27Å; D396-K400 WeakPolarHBondContact O-CG 2.94Å; D396-K400 PolarHBondContact O-N 2.92Å; D396-K400 WeakPolarHBondContact OD1-CE 3.24Å; D396-K400 IonicContact OD1-NZ 3.46Å; D396-K400 PolarHBondContact OD1-NZ 3.31Å; D396-K400 WeakPolarHBondContact OD2-CE 3.49Å; D396-K400 IonicContact OD2-NZ 2.94Å; D396-K400 PolarHBondContact OD2-NZ 3.06Å |
| 397 | A | 94.3 | Very high | 87.8 | Confident | 8 Ų | 8 | 78.8 Ų | 78.8 | 7% | 0.066 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -64.8 | -44.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V372 E373 R393 V394 S395 K400 N401 | V372-A397 HydrophobicContact CG1-CB 4.22Å; E373-A397 HydrophobicContact CG-CB 4.04Å; R393-A397 WeakPolarHBondContact O-CB 3.48Å; R393-A397 PolarHBondContact O-N 3.23Å; V394-A397 PolarHBondContact O-N 3.26Å; S395-A397 PolarHBondContact O-N 2.98Å; A397-K400 PolarHBondContact O-N 2.96Å; A397-N401 VanDerWaalsContact O-CG 3.24Å; A397-N401 PolarHBondContact O-N 3.42Å |
| 398 | L | 94.3 | Very high | 85.2 | Confident | 28 Ų | 28 | 85 Ų | 85 | 15% | 0.147 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -67.6 | -38.2 | 178.5 | -67 | -179.5 | 0 | 0 | 0 | 112.2 | V372 L378 V381 V394 S395 N401 Y402 | V372-L398 HydrophobicContact CG1-CD2 4.2Å; L378-L398 HydrophobicContact CB-CD2 4.22Å; L378-L398 VanDerWaalsContact O-CD2 3.27Å; L378-L398 WeakPolarHBondContact O-CD2 3.44Å; V381-L398 HydrophobicContact CB-CD1 4.23Å; V381-L398 HydrophobicContact CG2-CD1 4.28Å; V381-L398 HydrophobicContact CG2-CD2 3.91Å; V394-L398 HydrophobicContact CG1-CD1 4.01Å; V394-L398 HydrophobicContact CG1-CG 4.34Å; V394-L398 VanDerWaalsContact O-CG 3.29Å; V394-L398 WeakPolarHBondContact O-CG 3.33Å; V394-L398 PolarHBondContact O-N 3.47Å; S395-L398 PolarHBondContact O-N 3.13Å; L398-N401 PolarHBondContact O-N 3.05Å; L398-Y402 WeakPolarHBondContact O-CB 3.43Å; L398-Y402 PolarHBondContact O-N 3.04Å |
| 399 | E | 93.1 | Very high | 82.6 | Confident | 122 Ų | 122 | 88.5 Ų | 88.5 | 57% | 0.57 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -61.7 | -47.7 | 174.1 | -173.9 | 171.1 | -173 | 0 | 0 | 111 | S395 N401 Y402 E403 | S395-E399 WeakPolarHBondContact O-CB 3.42Å; S395-E399 PolarHBondContact O-N 3.14Å; E399-N401 VanDerWaalsContact C-N 3.29Å; E399-N401 PolarHBondContact O-N 2.75Å; E399-Y402 WeakPolarHBondContact O-CB 3.38Å; E399-Y402 PolarHBondContact O-N 3.02Å; E399-Y402 VanDerWaalsContact O-N 3.13Å; E399-E403 WeakPolarHBondContact O-CG 3.22Å; E399-E403 PolarHBondContact O-N 2.89Å |
| 400 | K | 93.1 | Very high | 80 | Confident | 94 Ų | 94 | 87.2 Ų | 87.2 | 41% | 0.409 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -58.8 | -38.8 | 174.3 | -73.5 | 168.9 | -170.8 | 161.8 | 0 | 112.9 | D396 A397 R404 | D396-K400 VanDerWaalsContact CG-NZ 3.3Å; D396-K400 VanDerWaalsContact O-CG 3.27Å; D396-K400 WeakPolarHBondContact O-CG 2.94Å; D396-K400 PolarHBondContact O-N 2.92Å; D396-K400 WeakPolarHBondContact OD1-CE 3.24Å; D396-K400 IonicContact OD1-NZ 3.46Å; D396-K400 PolarHBondContact OD1-NZ 3.31Å; D396-K400 WeakPolarHBondContact OD2-CE 3.49Å; D396-K400 IonicContact OD2-NZ 2.94Å; D396-K400 PolarHBondContact OD2-NZ 3.06Å; A397-K400 PolarHBondContact O-N 2.96Å; K400-R404 WeakPolarHBondContact O-CG 3.41Å; K400-R404 PolarHBondContact O-N 3.45Å; K400-R404 VanDerWaalsContact O-N 3.16Å |
| 401 | N | 92 | Very high | 77.6 | Confident | 6 Ų | 6 | 93.8 Ų | 93.8 | 3% | 0.032 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -69.9 | -38.2 | 177.3 | -70.7 | -12.7 | 0 | 0 | 0 | 111.7 | N375 G376 L378 L379 A397 L398 E399 R404 G405 | N375-N401 PolarHBondContact O-ND2 3.33Å; N375-N401 PolarHBondContact O-OD1 3.31Å; G376-N401 WeakPolarHBondContact CA-OD1 3.38Å; G376-N401 PolarHBondContact O-OD1 3.45Å; L378-N401 WeakPolarHBondContact O-CB 3.31Å; L378-N401 PolarHBondContact O-ND2 3.49Å; L379-N401 HydrophobicContact CD2-CB 4.1Å; A397-N401 VanDerWaalsContact O-CG 3.24Å; A397-N401 PolarHBondContact O-N 3.42Å; L398-N401 PolarHBondContact O-N 3.05Å; E399-N401 VanDerWaalsContact C-N 3.29Å; E399-N401 PolarHBondContact O-N 2.75Å; N401-R404 PolarHBondContact O-N 3.46Å; N401-G405 PolarHBondContact O-N 3.4Å |
| 402 | Y | 91.3 | Very high | 75 | Confident | 147 Ų | 147 | 94.7 Ų | 94.7 | 58% | 0.576 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -60.8 | -45.8 | 173.9 | -166.9 | -93.5 | 0 | 0 | 0 | 111.3 | L379 L398 E399 R404 G405 I406 | L379-Y402 HydrophobicContact CD2-CD2 4.43Å; L398-Y402 WeakPolarHBondContact O-CB 3.43Å; L398-Y402 PolarHBondContact O-N 3.04Å; E399-Y402 WeakPolarHBondContact O-CB 3.38Å; E399-Y402 PolarHBondContact O-N 3.02Å; E399-Y402 VanDerWaalsContact O-N 3.13Å; Y402-R404 VanDerWaalsContact C-N 3.31Å; Y402-R404 PolarHBondContact O-N 3.1Å; Y402-G405 PolarHBondContact O-N 3.17Å; Y402-G405 VanDerWaalsContact O-N 3.13Å; Y402-I406 HydrophobicContact CD1-CD1 3.9Å; Y402-I406 HydrophobicContact CD1-CG1 4.42Å; Y402-I406 HydrophobicContact CE1-CD1 3.81Å; Y402-I406 HydrophobicContact CE1-CG1 4.29Å; Y402-I406 WeakPolarHBondContact O-CG1 3.22Å; Y402-I406 PolarHBondContact O-N 3.13Å |
| 403 | E | 89.2 | Confident | 72.4 | Confident | 127 Ų | 127 | 90.2 Ų | 90.2 | 59% | 0.593 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -59.8 | -38.4 | 175.7 | -70.5 | -172.5 | 159.1 | 0 | 0 | 113 | E399 G405 I406 | E399-E403 WeakPolarHBondContact O-CG 3.22Å; E399-E403 PolarHBondContact O-N 2.89Å; E403-G405 VanDerWaalsContact C-N 3.34Å; E403-I406 PolarHBondContact O-N 3.1Å |
| 404 | R | 83.1 | Confident | 70.1 | Confident | 177 Ų | 177 | 92.7 Ų | 92.7 | 67% | 0.668 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -67.1 | -34.4 | 175.6 | -71.5 | 170.9 | -179.1 | 171.6 | 0.1 | 112.9 | K400 N401 Y402 I406 | K400-R404 WeakPolarHBondContact O-CG 3.41Å; K400-R404 PolarHBondContact O-N 3.45Å; K400-R404 VanDerWaalsContact O-N 3.16Å; N401-R404 PolarHBondContact O-N 3.46Å; Y402-R404 VanDerWaalsContact C-N 3.31Å; Y402-R404 PolarHBondContact O-N 3.1Å; R404-I406 VanDerWaalsContact C-N 3.28Å |
| 405 | G | 67.1 | Low | 67.7 | Low | 58 Ų | 58 | 97.8 Ų | 97.8 | 60% | 0.598 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -74.2 | -16.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | N401 Y402 E403 P407 | N401-G405 PolarHBondContact O-N 3.4Å; Y402-G405 PolarHBondContact O-N 3.17Å; Y402-G405 VanDerWaalsContact O-N 3.13Å; E403-G405 VanDerWaalsContact C-N 3.34Å; G405-P407 VanDerWaalsContact O-CD 3.24Å; G405-P407 WeakPolarHBondContact O-CD 3.31Å |
| 406 | I | 51.2 | Low | 65.4 | Low | 49 Ų | 49 | 102.3 Ų | 102.3 | 25% | 0.251 | 55% | 0.551 | S | S | . | * | S | Bend | trans | -79.2 | 112.4 | 171 | -59.7 | 166 | 0 | 0 | 0 | 107.4 | Y402 E403 R404 L408 | Y402-I406 HydrophobicContact CD1-CD1 3.9Å; Y402-I406 HydrophobicContact CD1-CG1 4.42Å; Y402-I406 HydrophobicContact CE1-CD1 3.81Å; Y402-I406 HydrophobicContact CE1-CG1 4.29Å; Y402-I406 WeakPolarHBondContact O-CG1 3.22Å; Y402-I406 PolarHBondContact O-N 3.13Å; E403-I406 PolarHBondContact O-N 3.1Å; R404-I406 VanDerWaalsContact C-N 3.28Å; I406-L408 PolarHBondContact O-N 3.1Å |
| 407 | P | 43.4 | Very low | 63 | Low | 94 Ų | 94 | 107.8 Ų | 107.8 | 61% | 0.61 | 58% | 0.579 | S | S | * | * | trans | -56.3 | 123.2 | 166.9 | 23.8 | -31.2 | 0 | 0 | 0 | 107.6 | G405 F409 S410 | G405-P407 VanDerWaalsContact O-CD 3.24Å; G405-P407 WeakPolarHBondContact O-CD 3.31Å; P407-F409 PolarHBondContact O-N 3.33Å; P407-S410 PolarHBondContact O-N 3.03Å | ||
| 408 | L | 38.5 | Very low | 60.7 | Low | 172 Ų | 172 | 114.6 Ų | 114.6 | 90% | 0.901 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53 | 12.3 | -178.8 | -92.2 | 162.1 | 0 | 0 | 0 | 115.9 | I406 | I406-L408 PolarHBondContact O-N 3.1Š|
| 409 | F | 40.3 | Very low | 59.1 | Low | 204 Ų | 204 | 118.2 Ų | 118.2 | 90% | 0.895 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.7 | 2 | -179.2 | -83.5 | -83.4 | 0 | 0 | 0 | 115.2 | P407 | P407-F409 PolarHBondContact O-N 3.33Š|
| 410 | S | 41 | Very low | 57.4 | Low | 81 Ų | 81 | 118.6 Ų | 118.6 | 57% | 0.566 | 65% | 0.652 | S | S | * | * | trans | -112.3 | -5.3 | -176.8 | 68.2 | 0 | 0 | 0 | 0 | 116.9 | P407 V412 | P407-S410 PolarHBondContact O-N 3.03Å; S410-V412 VanDerWaalsContact C-N 3.26Å; S410-V412 PolarHBondContact O-N 3.32Å | ||
| 411 | I | 43.3 | Very low | 55 | Low | 138 Ų | 138 | 122.9 Ų | 122.9 | 71% | 0.708 | 67% | 0.671 | S | S | * | * | trans | -87.6 | 70.7 | 173.7 | -55.1 | 175.2 | 0 | 0 | 0 | 109.1 | ||||
| 412 | V | 40.4 | Very low | 52.7 | Low | 128 Ų | 128 | 127.8 Ų | 127.8 | 78% | 0.776 | 71% | 0.705 | S | S | * | * | trans | -85 | 97.5 | 151.2 | 173.7 | 0 | 0 | 0 | 0 | 105.1 | S410 | S410-V412 VanDerWaalsContact C-N 3.26Å; S410-V412 PolarHBondContact O-N 3.32Å | ||
| 413 | A | 42 | Very low | 50.3 | Low | 71 Ų | 71 | 126.2 Ų | 126.2 | 59% | 0.587 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 132.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||
| 414 | P | 46.9 | Very low | 48.1 | Very low | 112 Ų | 112 | 125.7 Ų | 125.7 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 128.3 | 172.5 | 24.4 | -30 | 0 | 0 | 0 | 108 | L416 | P414-L416 PolarHBondContact O-N 3.14Å; P414-L416 VanDerWaalsContact O-N 3.17Å |
| 415 | P | 47.5 | Very low | 46.2 | Very low | 113 Ų | 113 | 122.2 Ų | 122.2 | 73% | 0.734 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 122 | 177.6 | 26.7 | -31 | 0 | 0 | 0 | 108 | L417 | P415-L417 VanDerWaalsContact C-N 3.33Å; P415-L417 PolarHBondContact O-N 2.94Å |
| 416 | L | 46.9 | Very low | 45.1 | Very low | 171 Ų | 171 | 123.8 Ų | 123.8 | 90% | 0.895 | 74% | 0.737 | S | S | * | * | trans | -57.3 | 97.2 | 167.5 | -69.7 | 172.9 | 0 | 0 | 0 | 108.5 | P414 L418 | P414-L416 PolarHBondContact O-N 3.14Å; P414-L416 VanDerWaalsContact O-N 3.17Å; L416-L418 PolarHBondContact O-N 3.29Å; L416-L418 VanDerWaalsContact O-N 3.16Å | ||
| 417 | L | 44.8 | Very low | 44.9 | Very low | 163 Ų | 163 | 126.5 Ų | 126.5 | 85% | 0.853 | 76% | 0.76 | S | S | * | * | trans | -82.3 | 89.1 | 175.5 | -160.1 | 90.4 | 0 | 0 | 0 | 108.5 | P415 | P415-L417 VanDerWaalsContact C-N 3.33Å; P415-L417 PolarHBondContact O-N 2.94Å | ||
| 418 | L | 46.5 | Very low | 44.9 | Very low | 152 Ų | 152 | 129.8 Ų | 129.8 | 80% | 0.796 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 129.3 | 163.3 | -74.6 | 164.4 | 0 | 0 | 0 | 108.8 | L416 | L416-L418 PolarHBondContact O-N 3.29Å; L416-L418 VanDerWaalsContact O-N 3.16Å |
| 419 | P | 59.1 | Low | 45.2 | Very low | 104 Ų | 104 | 126.7 Ų | 126.7 | 68% | 0.675 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 132.2 | 175.8 | 28.1 | -32.3 | 0 | 0 | 0 | 110.7 | ||
| 420 | P | 59.1 | Low | 45.4 | Very low | 129 Ų | 129 | 128.6 Ų | 128.6 | 84% | 0.838 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -76 | 131.5 | 173.8 | 28.8 | -30.3 | 0 | 0 | 0 | 111.3 | ||
| 421 | F | 42.2 | Very low | 45.4 | Very low | 185 Ų | 185 | 135.2 Ų | 135.2 | 81% | 0.811 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 161.5 | 168.3 | -98.6 | -97.9 | 0 | 0 | 0 | 112.2 | ||
| 422 | S | 44 | Very low | 45.5 | Very low | 108 Ų | 108 | 137.6 Ų | 137.6 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | trans | 87.5 | 104.1 | 166.1 | 86.8 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 423 | S | 40.8 | Very low | 46.1 | Very low | 114 Ų | 114 | 143.3 Ų | 143.3 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | 96.8 | 116.9 | 74.9 | 71.7 | 0 | 0 | 0 | 0 | 111 | |||||
| 424 | S | 42.1 | Very low | 46.3 | Very low | 117 Ų | 117 | 146.9 Ų | 146.9 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | trans | 172.9 | 118.3 | 141 | -175.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 425 | S | 43.1 | Very low | 46.2 | Very low | 104 Ų | 104 | 148.7 Ų | 148.7 | 73% | 0.727 | 83% | 0.825 | S | S | * | * | trans | 54.4 | 105.2 | 136.2 | -163.4 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 426 | A | 45 | Very low | 46.2 | Very low | 91 Ų | 91 | 150.7 Ų | 150.7 | 75% | 0.752 | 83% | 0.83 | S | S | * | * | 4.4 | 124.5 | 127.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 427 | S | 45.4 | Very low | 46.1 | Very low | 106 Ų | 106 | 149.5 Ų | 149.5 | 74% | 0.741 | 83% | 0.827 | S | S | * | * | 166.9 | 109.6 | 114.4 | -173 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 428 | N | 44.6 | Very low | 46.2 | Very low | 163 Ų | 163 | 148.7 Ų | 148.7 | 87% | 0.872 | 83% | 0.825 | S | S | * | * | -168.3 | 124.7 | 129.6 | -104.7 | -30.5 | 0 | 0 | 0 | 112.2 | |||||
| 429 | S | 45 | Very low | 46.2 | Very low | 107 Ų | 107 | 148.5 Ų | 148.5 | 75% | 0.748 | 83% | 0.827 | S | S | * | * | trans | -69.6 | 146.1 | 171.9 | -70.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 430 | R | 44.1 | Very low | 45.3 | Very low | 243 Ų | 243 | 151.6 Ų | 151.6 | 92% | 0.917 | 84% | 0.838 | S | S | * | * | trans | 165.2 | 96.7 | 134.3 | -90.3 | 164 | -174.4 | -155.3 | 2.2 | 107.7 | ||||
| 431 | R | 40 | Very low | 44.2 | Very low | 221 Ų | 221 | 153.4 Ų | 153.4 | 83% | 0.834 | 84% | 0.838 | S | S | * | * | 38.3 | 115.3 | 101.8 | -86.8 | -172.2 | -173.7 | 167.7 | 3.7 | 113.3 | |||||
| 432 | F | 47.2 | Very low | 44.4 | Very low | 188 Ų | 188 | 150.8 Ų | 150.8 | 83% | 0.825 | 84% | 0.84 | S | S | * | * | -178.6 | 133.9 | 98.9 | -98.8 | -78.8 | 0 | 0 | 0 | 110.3 | |||||
| 433 | L | 51.3 | Low | 44.4 | Very low | 247 Ų | 247 | 154.6 Ų | 154.6 | 100% | 1.293 | 85% | 0.848 | S | S | * | * | trans | 74.3 | 0 | 177.9 | -64.8 | 169.3 | 0 | 0 | 0 | 118 |
Retrieved 433 of 433 residues in 108.1 ms
(Link to these results)