| 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 | 53.3 | Low | 60.9 | Low | 156 Ų | 156 | 142.7 Ų | 142.7 | 77% | 0.768 | 64% | 0.642 | S | S | * | * | 0 | 94.1 | 0 | -86.2 | -65 | -82.5 | 0 | 0 | 108.7 | T5 N9 | M1-T5 HydrophobicContact CE-CG2 4.27Å; M1-T5 HydrophobicContact SD-CG2 3.54Å; M1-T5 VanDerWaalsContact SD-CG2 3.54Å; M1-N9 HydrophobicContact CE-CB 4.48Å | |||
| 2 | D | 61.6 | Low | 59.8 | Low | 101 Ų | 101 | 141.8 Ų | 141.8 | 54% | 0.54 | 65% | 0.647 | S | S | . | * | trans | -82.2 | 169.6 | -175.7 | 176.1 | 46.5 | 0 | 0 | 0 | 111.9 | K4 T5 R6 | D2-K4 VanDerWaalsContact C-N 3.27Å; D2-K4 PolarHBondContact O-N 3.11Å; D2-K4 PolarHBondContact OD2-N 2.98Å; D2-T5 PolarHBondContact N-OG1 3.36Å; D2-T5 CarbonylContact O-C 3.6Å; D2-T5 WeakPolarHBondContact O-CA 3.39Å; D2-T5 PolarHBondContact O-N 3.2Å; D2-T5 PolarHBondContact O-OG1 3.28Å; D2-R6 PolarHBondContact O-N 2.94Å | ||
| 3 | R | 58 | Low | 58.7 | Low | 214 Ų | 214 | 141.6 Ų | 141.6 | 81% | 0.808 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -58.9 | -35.2 | -179.6 | -162.1 | 173.2 | -175.3 | 177.4 | 0 | 112.2 | R7 | R3-R7 PolarHBondContact O-N 2.82Å |
| 4 | K | 65.7 | Low | 57.8 | Low | 176 Ų | 176 | 143.4 Ų | 143.4 | 77% | 0.765 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -67.2 | -44.8 | 170.4 | -71.1 | -175.7 | 178.2 | -179 | 0 | 111.5 | D2 R6 R7 A8 | D2-K4 VanDerWaalsContact C-N 3.27Å; D2-K4 PolarHBondContact O-N 3.11Å; D2-K4 PolarHBondContact OD2-N 2.98Å; K4-R6 VanDerWaalsContact C-N 3.32Å; K4-R6 PolarHBondContact O-N 3.47Å; K4-R7 PolarHBondContact O-N 3.04Å; K4-A8 PolarHBondContact O-N 3.27Å |
| 5 | T | 67.9 | Low | 56.5 | Low | 58 Ų | 58 | 141.3 Ų | 141.3 | 36% | 0.356 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -64.4 | -33.4 | 179.5 | -16.7 | 0 | 0 | 0 | 0 | 112.9 | M1 D2 N9 | M1-T5 HydrophobicContact CE-CG2 4.27Å; M1-T5 HydrophobicContact SD-CG2 3.54Å; M1-T5 VanDerWaalsContact SD-CG2 3.54Å; D2-T5 PolarHBondContact N-OG1 3.36Å; D2-T5 CarbonylContact O-C 3.6Å; D2-T5 WeakPolarHBondContact O-CA 3.39Å; D2-T5 PolarHBondContact O-N 3.2Å; D2-T5 PolarHBondContact O-OG1 3.28Å; T5-N9 PolarHBondContact O-N 3.17Å; T5-N9 VanDerWaalsContact O-N 3.12Å; T5-N9 PolarHBondContact O-ND2 3.17Å |
| 6 | R | 67.4 | Low | 55.5 | Low | 174 Ų | 174 | 147.9 Ų | 147.9 | 66% | 0.657 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -65.8 | -43.7 | 171.9 | -74.2 | -169.6 | -176.5 | -175.7 | 2 | 112.4 | D2 K4 N9 F10 | D2-R6 PolarHBondContact O-N 2.94Å; K4-R6 VanDerWaalsContact C-N 3.32Å; K4-R6 PolarHBondContact O-N 3.47Å; R6-N9 PolarHBondContact O-N 3.42Å; R6-F10 PolarHBondContact O-N 3.49Å |
| 7 | R | 62.5 | Low | 54.2 | Low | 209 Ų | 209 | 148.9 Ų | 148.9 | 79% | 0.789 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -61.6 | -43.1 | 175.8 | -91.1 | -174.5 | 166 | -179.6 | -5.1 | 112 | R3 K4 F10 K11 | R3-R7 PolarHBondContact O-N 2.82Å; K4-R7 PolarHBondContact O-N 3.04Å; R7-F10 PolarHBondContact O-N 2.61Å; R7-K11 PolarHBondContact O-N 2.96Å; R7-K11 VanDerWaalsContact O-N 3.14Å |
| 8 | A | 64.1 | Low | 53.3 | Low | 52 Ų | 52 | 147.4 Ų | 147.4 | 43% | 0.43 | 70% | 0.697 | S | S | . | * | H | α-helix | trans | -60.8 | -47.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | K4 F10 K11 N12 | K4-A8 PolarHBondContact O-N 3.27Å; A8-F10 VanDerWaalsContact C-N 3.34Å; A8-F10 PolarHBondContact O-N 3.16Å; A8-K11 PolarHBondContact O-N 3.15Å; A8-K11 VanDerWaalsContact O-N 3.16Å; A8-N12 PolarHBondContact O-N 3.18Å |
| 9 | N | 59 | Low | 52.4 | Low | 75 Ų | 75 | 152.2 Ų | 152.2 | 40% | 0.401 | 71% | 0.708 | S | S | . | * | H | α-helix | trans | -66.8 | -32.9 | 178.7 | -80.1 | -93.7 | 0 | 0 | 0 | 112.8 | M1 T5 R6 K11 N12 L13 | M1-N9 HydrophobicContact CE-CB 4.48Å; T5-N9 PolarHBondContact O-N 3.17Å; T5-N9 VanDerWaalsContact O-N 3.12Å; T5-N9 PolarHBondContact O-ND2 3.17Å; R6-N9 PolarHBondContact O-N 3.42Å; N9-K11 VanDerWaalsContact C-N 3.32Å; N9-K11 PolarHBondContact O-N 3.25Å; N9-N12 PolarHBondContact O-N 3.15Å; N9-L13 WeakPolarHBondContact O-CG 3.39Å; N9-L13 PolarHBondContact O-N 3.48Å |
| 10 | F | 55.4 | Low | 51.2 | Low | 169 Ų | 169 | 150.6 Ų | 150.6 | 74% | 0.741 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -65.3 | -34 | 172.7 | -114.4 | -92.5 | 0 | 0 | 0 | 112.9 | R6 R7 A8 N12 | R6-F10 PolarHBondContact O-N 3.49Å; R7-F10 PolarHBondContact O-N 2.61Å; A8-F10 VanDerWaalsContact C-N 3.34Å; A8-F10 PolarHBondContact O-N 3.16Å; F10-N12 VanDerWaalsContact C-N 3.27Å; F10-N12 PolarHBondContact O-N 3.32Å |
| 11 | K | 55 | Low | 50.9 | Low | 186 Ų | 186 | 149 Ų | 149 | 81% | 0.809 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -70.7 | -23.6 | 176.1 | -143.5 | -178.9 | -175.4 | -171.2 | 0 | 112.7 | R7 A8 N9 | R7-K11 PolarHBondContact O-N 2.96Å; R7-K11 VanDerWaalsContact O-N 3.14Å; A8-K11 PolarHBondContact O-N 3.15Å; A8-K11 VanDerWaalsContact O-N 3.16Å; N9-K11 VanDerWaalsContact C-N 3.32Å; N9-K11 PolarHBondContact O-N 3.25Å |
| 12 | N | 47.9 | Very low | 49.8 | Very low | 132 Ų | 132 | 151.3 Ų | 151.3 | 71% | 0.706 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | 1.7 | -180 | -66.9 | 4.2 | 0 | 0 | 0 | 114.3 | A8 N9 F10 | A8-N12 PolarHBondContact O-N 3.18Å; N9-N12 PolarHBondContact O-N 3.15Å; F10-N12 VanDerWaalsContact C-N 3.27Å; F10-N12 PolarHBondContact O-N 3.32Å |
| 13 | L | 44.9 | Very low | 48.9 | Very low | 139 Ų | 139 | 151.5 Ų | 151.5 | 73% | 0.728 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -113.4 | 13 | -175.3 | -77.1 | 172.6 | 0 | 0 | 0 | 114.3 | N9 | N9-L13 WeakPolarHBondContact O-CG 3.39Å; N9-L13 PolarHBondContact O-N 3.48Å |
| 14 | Q | 47 | Very low | 47.6 | Very low | 166 Ų | 166 | 145.3 Ų | 145.3 | 78% | 0.776 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -93.1 | 137.8 | 166.8 | -67.5 | -160 | -35.1 | 0 | 0 | 110.7 | ||
| 15 | P | 37.1 | Very low | 46.4 | Very low | 112 Ų | 112 | 141.9 Ų | 141.9 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | trans | -71.7 | 132.7 | -176.9 | 28.9 | -34.2 | 0 | 0 | 0 | 111.3 | L17 | P15-L17 PolarHBondContact O-N 3.25Å; P15-L17 VanDerWaalsContact O-N 3.16Å | ||
| 16 | R | 40.8 | Very low | 44.8 | Very low | 247 Ų | 247 | 146.2 Ų | 146.2 | 93% | 0.932 | 76% | 0.756 | S | S | * | * | trans | -66.8 | 108.2 | 161.6 | -75.9 | -178.1 | 170.3 | -175.4 | -4.9 | 108.1 | T18 | R16-T18 PolarHBondContact O-N 3.25Š| ||
| 17 | L | 33.7 | Very low | 43.6 | Very low | 165 Ų | 165 | 143.3 Ų | 143.3 | 86% | 0.864 | 76% | 0.758 | S | S | * | * | trans | -78.9 | 113.9 | 172.8 | -88 | 167.3 | 0 | 0 | 0 | 109.9 | P15 | P15-L17 PolarHBondContact O-N 3.25Å; P15-L17 VanDerWaalsContact O-N 3.16Å | ||
| 18 | T | 38.3 | Very low | 43 | Very low | 123 Ų | 123 | 139.8 Ų | 139.8 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | trans | -78.3 | 134.2 | 169.5 | 48.3 | 0 | 0 | 0 | 0 | 110.6 | R16 | R16-T18 PolarHBondContact O-N 3.25Š| ||
| 19 | R | 35.8 | Very low | 42 | Very low | 238 Ų | 238 | 139.1 Ų | 139.1 | 90% | 0.898 | 75% | 0.746 | S | S | * | * | trans | 4.3 | 111.3 | 156.9 | -168.9 | -177 | -167.4 | -175.2 | 5.6 | 116.1 | ||||
| 20 | S | 29.1 | Very low | 41.4 | Very low | 119 Ų | 119 | 138.3 Ų | 138.3 | 83% | 0.832 | 74% | 0.742 | S | S | * | * | trans | -129.9 | 133.1 | 162.3 | -174.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 21 | T | 43.9 | Very low | 41.1 | Very low | 119 Ų | 119 | 133.7 Ų | 133.7 | 73% | 0.73 | 73% | 0.73 | S | S | * | * | trans | -102.7 | 106.7 | -170.8 | 48.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 22 | K | 31.4 | Very low | 40.9 | Very low | 203 Ų | 203 | 130.6 Ų | 130.6 | 88% | 0.883 | 72% | 0.722 | S | S | * | * | trans | -153 | 129.1 | 155.5 | -154.1 | 167.7 | -173.8 | 177.7 | 0 | 109.2 | ||||
| 23 | A | 41.7 | Very low | 40.7 | Very low | 105 Ų | 105 | 131.8 Ų | 131.8 | 87% | 0.868 | 72% | 0.722 | S | S | * | * | trans | -67.2 | 144.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 24 | A | 31.8 | Very low | 40.6 | Very low | 85 Ų | 85 | 131.3 Ų | 131.3 | 70% | 0.702 | 71% | 0.714 | S | S | * | * | trans | -124.5 | 151 | 167.6 | 0 | 0 | 0 | 0 | 0 | 107.5 | D26 | A24-D26 PolarHBondContact O-N 3.08Š| ||
| 25 | A | 38.9 | Very low | 40 | Very low | 103 Ų | 103 | 127.3 Ų | 127.3 | 85% | 0.851 | 71% | 0.709 | S | S | * | * | trans | -67.9 | 127.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | T27 | A25-T27 PolarHBondContact O-N 3.21Š| ||
| 26 | D | 36 | Very low | 39.8 | Very low | 150 Ų | 150 | 128.1 Ų | 128.1 | 80% | 0.802 | 71% | 0.712 | S | S | * | * | trans | -68.1 | 127.5 | -178.9 | -63.1 | -63.4 | 0 | 0 | 0 | 111.8 | A24 | A24-D26 PolarHBondContact O-N 3.08Š| ||
| 27 | T | 41.7 | Very low | 39.6 | Very low | 112 Ų | 112 | 122.1 Ų | 122.1 | 69% | 0.687 | 71% | 0.705 | S | S | * | * | trans | -84.4 | 111.2 | 166.6 | 50 | 0 | 0 | 0 | 0 | 109 | A25 S29 | A25-T27 PolarHBondContact O-N 3.21Å; T27-S29 PolarHBondContact O-N 3.15Å | ||
| 28 | L | 50.4 | Low | 39.5 | Very low | 135 Ų | 135 | 123.4 Ų | 123.4 | 71% | 0.707 | 71% | 0.707 | S | S | * | * | trans | -67.5 | 109.7 | 178.2 | -61.1 | 172.7 | 0 | 0 | 0 | 110.6 | ||||
| 29 | S | 43.1 | Very low | 39.2 | Very low | 39 Ų | 39 | 125.4 Ų | 125.4 | 27% | 0.273 | 71% | 0.713 | S | S | . | * | trans | -127 | 145.1 | 163.4 | 163.3 | 0 | 0 | 0 | 0 | 107.6 | T27 S31 N32 E340 | T27-S29 PolarHBondContact O-N 3.15Å; S29-S31 PolarHBondContact O-N 3.14Å; S29-S31 PolarHBondContact OG-OG 3.48Å; S29-N32 PolarHBondContact O-N 3.19Å; S29-E340 VanDerWaalsContact OG-CD 3.27Å; S29-E340 PolarHBondContact OG-OE1 2.84Å; S29-E340 PolarHBondContact OG-OE2 3.49Å | ||
| 30 | L | 46.3 | Very low | 39 | Very low | 58 Ų | 58 | 118.8 Ų | 118.8 | 30% | 0.304 | 71% | 0.709 | S | S | . | * | G | 310 helix | trans | -64.7 | -31 | -174.3 | -71 | 160.7 | 0 | 0 | 0 | 111.7 | N32 F33 F34 E340 L341 | L30-N32 PolarHBondContact O-N 3Å; L30-F33 PolarHBondContact O-N 3Å; L30-F34 WeakPolarHBondContact O-CD2 3.47Å; L30-E340 HydrophobicContact CB-CG 4.28Å; L30-E340 HydrophobicContact CD1-CG 4.32Å; L30-E340 PolarHBondContact N-OE1 3.23Å; L30-E340 PolarHBondContact N-OE2 3.25Å; L30-L341 HydrophobicContact CD1-CD2 3.79Å; L30-L341 HydrophobicContact CD1-CG 4.07Å |
| 31 | S | 48.8 | Very low | 39 | Very low | 71 Ų | 71 | 122.2 Ų | 122.2 | 50% | 0.497 | 71% | 0.712 | S | S | . | * | G | 310 helix | trans | -46.5 | -29.5 | 172.2 | 59.9 | 0 | 0 | 0 | 0 | 115.8 | S29 E340 | S29-S31 PolarHBondContact O-N 3.14Å; S29-S31 PolarHBondContact OG-OG 3.48Å; S31-E340 PolarHBondContact N-OE1 3.15Å |
| 32 | N | 51.4 | Low | 38.3 | Very low | 121 Ų | 121 | 125 Ų | 125 | 65% | 0.647 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -79.1 | -13.2 | 177.7 | -75.5 | -30.5 | 0 | 0 | 0 | 114.5 | S29 L30 | S29-N32 PolarHBondContact O-N 3.19Å; L30-N32 PolarHBondContact O-N 3Å |
| 33 | F | 43.8 | Very low | 38.2 | Very low | 158 Ų | 158 | 121.4 Ų | 121.4 | 69% | 0.693 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.8 | -21.5 | -176.9 | -79.7 | -91 | 0 | 0 | 0 | 114.2 | L30 | L30-F33 PolarHBondContact O-N 3Š|
| 34 | F | 40.9 | Very low | 37.9 | Very low | 129 Ų | 129 | 122.3 Ų | 122.3 | 57% | 0.566 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -93.5 | -0.8 | -176.7 | -69.3 | -80.7 | 0 | 0 | 0 | 114.5 | L30 T36 | L30-F34 WeakPolarHBondContact O-CD2 3.47Å; F34-T36 PolarHBondContact O-N 3.22Å |
| 35 | A | 35.8 | Very low | 37.6 | Very low | 81 Ų | 81 | 123.4 Ų | 123.4 | 67% | 0.669 | 71% | 0.711 | S | S | * | * | trans | -84.8 | 91.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 36 | T | 31.5 | Very low | 36.8 | Very low | 130 Ų | 130 | 124.3 Ų | 124.3 | 80% | 0.798 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 134.9 | 168.8 | 44.4 | 0 | 0 | 0 | 0 | 111.6 | F34 | F34-T36 PolarHBondContact O-N 3.22Š|
| 37 | P | 38 | Very low | 36.4 | Very low | 120 Ų | 120 | 125 Ų | 125 | 78% | 0.779 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 133.8 | 173.1 | 32.3 | -32.4 | 0 | 0 | 0 | 111.4 | ||
| 38 | E | 32 | Very low | 35.6 | Very low | 193 Ų | 193 | 123.5 Ų | 123.5 | 90% | 0.902 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 150.1 | 167.6 | -73.6 | -173.5 | 115.9 | 0 | 0 | 111.6 | ||
| 39 | N | 31.5 | Very low | 34.3 | Very low | 164 Ų | 164 | 124.6 Ų | 124.6 | 88% | 0.877 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 145.8 | -175 | -67.5 | -66.2 | 0 | 0 | 0 | 112.8 | ||
| 40 | A | 30.5 | Very low | 33.5 | Very low | 99 Ų | 99 | 130.4 Ų | 130.4 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | trans | -132.5 | 110.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 41 | E | 30 | Very low | 33.4 | Very low | 192 Ų | 192 | 132.9 Ų | 132.9 | 90% | 0.897 | 76% | 0.764 | S | S | * | * | trans | -90.1 | 137.8 | 170.4 | -64.7 | -173 | 130.5 | 0 | 0 | 110.2 | ||||
| 42 | E | 28.3 | Very low | 32.4 | Very low | 178 Ų | 178 | 135.3 Ų | 135.3 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | trans | -80.8 | 163.1 | 160.7 | -52 | -172.8 | 134.2 | 0 | 0 | 108 | ||||
| 43 | V | 30.1 | Very low | 31.4 | Very low | 127 Ų | 127 | 136.1 Ų | 136.1 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | cis | -166.1 | -168.6 | 38.4 | -126.9 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 44 | P | 35.6 | Very low | 31.2 | Very low | 123 Ų | 123 | 134 Ų | 134 | 80% | 0.799 | 78% | 0.777 | S | S | * | * | cis | -120.8 | -142.4 | -36.1 | 36 | -17.2 | 0 | 0 | 0 | 110.7 | ||||
| 45 | S | 25.1 | Very low | 30.6 | Very low | 109 Ų | 109 | 133.4 Ų | 133.4 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | trans | -109.7 | 162.4 | -158.2 | -47 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 46 | C | 23 | Very low | 31.5 | Very low | 122 Ų | 122 | 134.9 Ų | 134.9 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | trans | 98.6 | 138.6 | 141.9 | -72.9 | 0 | 0 | 0 | 0 | 123 | ||||
| 47 | L | 26.3 | Very low | 32.3 | Very low | 164 Ų | 164 | 134.7 Ų | 134.7 | 86% | 0.859 | 78% | 0.784 | S | S | * | * | trans | 77.7 | 103.5 | 154.9 | -67.2 | 171.9 | 0 | 0 | 0 | 122.5 | ||||
| 48 | A | 25.6 | Very low | 32 | Very low | 81 Ų | 81 | 133.4 Ų | 133.4 | 67% | 0.669 | 78% | 0.783 | S | S | * | * | 69 | 146.3 | 115.3 | 0 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 49 | D | 23.8 | Very low | 32.6 | Very low | 158 Ų | 158 | 128.9 Ų | 128.9 | 85% | 0.845 | 77% | 0.771 | S | S | * | * | trans | 79.1 | 165.8 | 156.4 | -62.5 | -26.5 | 0 | 0 | 0 | 122.2 | ||||
| 50 | I | 25.1 | Very low | 32.6 | Very low | 160 Ų | 160 | 129.9 Ų | 129.9 | 82% | 0.821 | 77% | 0.767 | S | S | * | * | trans | -143.8 | -176.6 | -159.3 | -1.1 | 173.6 | 0 | 0 | 0 | 107.3 | ||||
| 51 | P | 44.6 | Very low | 32.7 | Very low | 111 Ų | 111 | 132.7 Ų | 132.7 | 72% | 0.721 | 77% | 0.767 | S | S | * | * | cis | -136.5 | -155.1 | -14.1 | 39.2 | -17.5 | 0 | 0 | 0 | 113.7 | ||||
| 52 | V | 26.8 | Very low | 32.7 | Very low | 122 Ų | 122 | 132.6 Ų | 132.6 | 74% | 0.739 | 76% | 0.763 | S | S | * | * | trans | 132.7 | 107 | 150.6 | 169.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 53 | Q | 30.4 | Very low | 33.6 | Very low | 137 Ų | 137 | 129.7 Ų | 129.7 | 64% | 0.64 | 76% | 0.76 | S | S | * | * | 74.7 | 153.6 | 75.3 | -100.6 | -161.2 | -25.3 | 0 | 0 | 115.1 | D55 | Q53-D55 PolarHBondContact NE2-OD1 2.81Å; Q53-D55 PolarHBondContact NE2-OD2 3.48Å | |||
| 54 | P | 41.1 | Very low | 33.8 | Very low | 114 Ų | 114 | 130 Ų | 130 | 74% | 0.74 | 76% | 0.756 | S | S | * | * | cis | -138.1 | 143.9 | 28.8 | 39.5 | -20 | 0 | 0 | 0 | 120.5 | ||||
| 55 | D | 28.1 | Very low | 33.7 | Very low | 117 Ų | 117 | 135.2 Ų | 135.2 | 63% | 0.626 | 76% | 0.76 | S | S | * | * | 21 | 164.3 | 115.7 | -79.3 | 43.8 | 0 | 0 | 0 | 123.7 | Q53 | Q53-D55 PolarHBondContact NE2-OD1 2.81Å; Q53-D55 PolarHBondContact NE2-OD2 3.48Å | |||
| 56 | P | 55.4 | Low | 34.2 | Very low | 111 Ų | 111 | 135.9 Ų | 135.9 | 72% | 0.721 | 76% | 0.759 | S | S | * | * | cis | -136.8 | -148.3 | -31.9 | 44.5 | -24.7 | 0 | 0 | 0 | 110.8 | ||||
| 57 | P | 47.3 | Very low | 34.7 | Very low | 126 Ų | 126 | 134.4 Ų | 134.4 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | cis | -128.7 | 179.2 | 37.3 | 31.2 | -7.1 | 0 | 0 | 0 | 116.5 | ||||
| 58 | A | 31.1 | Very low | 35 | Very low | 93 Ų | 93 | 133.9 Ų | 133.9 | 77% | 0.769 | 75% | 0.749 | S | S | * | * | trans | -106.3 | -159 | -171.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 59 | P | 44.7 | Very low | 35.4 | Very low | 98 Ų | 98 | 135.7 Ų | 135.7 | 64% | 0.636 | 75% | 0.751 | S | S | * | * | cis | -153.7 | -177.9 | 26.5 | 47.2 | -25.6 | 0 | 0 | 0 | 120.6 | ||||
| 60 | K | 32 | Very low | 35.8 | Very low | 186 Ų | 186 | 136.5 Ų | 136.5 | 81% | 0.809 | 75% | 0.747 | S | S | * | * | trans | 74.5 | 141.4 | 157.5 | -68.3 | 158.3 | -164.3 | 172.1 | 0 | 117.7 | ||||
| 61 | I | 32.3 | Very low | 36.3 | Very low | 158 Ų | 158 | 136.7 Ų | 136.7 | 81% | 0.81 | 75% | 0.745 | S | S | * | * | cis | -151 | 169 | 3.9 | -103.5 | 155.2 | 0 | 0 | 0 | 111.2 | ||||
| 62 | K | 30.9 | Very low | 36.5 | Very low | 189 Ų | 189 | 140.7 Ų | 140.7 | 82% | 0.822 | 75% | 0.751 | S | S | * | * | trans | -102.3 | -158.2 | -173.6 | -43.1 | 178.7 | -177 | 179.4 | 0 | 112.7 | ||||
| 63 | P | 47.3 | Very low | 37.2 | Very low | 117 Ų | 117 | 141.6 Ų | 141.6 | 76% | 0.76 | 76% | 0.759 | S | S | * | * | cis | -118.9 | -140.9 | -20.6 | 19 | 7.5 | 0 | 0 | 0 | 113.5 | ||||
| 64 | I | 33.5 | Very low | 37.2 | Very low | 135 Ų | 135 | 138.6 Ų | 138.6 | 69% | 0.692 | 77% | 0.765 | S | S | * | * | cis | -159.3 | 137.6 | 18.4 | -70.3 | 173.9 | 0 | 0 | 0 | 113 | ||||
| 65 | R | 33.1 | Very low | 37.4 | Very low | 231 Ų | 231 | 139.6 Ų | 139.6 | 87% | 0.872 | 77% | 0.772 | S | S | * | * | trans | 38.2 | 170.9 | 149.9 | -58.8 | 174.3 | 160.9 | 151.9 | -6.7 | 122.2 | ||||
| 66 | T | 36.5 | Very low | 38 | Very low | 123 Ų | 123 | 143.6 Ų | 143.6 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | cis | -147.5 | 140 | 14.4 | 39.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 67 | S | 33.1 | Very low | 37.5 | Very low | 91 Ų | 91 | 143.8 Ų | 143.8 | 64% | 0.636 | 79% | 0.785 | S | S | * | * | cis | 117.7 | 128.4 | 38.3 | 71.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 68 | N | 33.2 | Very low | 37.1 | Very low | 154 Ų | 154 | 147.1 Ų | 147.1 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | trans | 71 | 156.5 | 152.1 | -61.5 | 7.4 | 0 | 0 | 0 | 120.6 | ||||
| 69 | V | 33.5 | Very low | 37.2 | Very low | 118 Ų | 118 | 153 Ų | 153 | 72% | 0.715 | 80% | 0.795 | S | S | * | * | cis | -174.3 | 137 | -37.1 | 126.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 70 | F | 32.3 | Very low | 36.8 | Very low | 176 Ų | 176 | 152.7 Ų | 152.7 | 77% | 0.772 | 80% | 0.8 | S | S | * | * | trans | 55.3 | 159.4 | 162.4 | -87.4 | -123.8 | 0 | 0 | 0 | 119.1 | ||||
| 71 | E | 35.8 | Very low | 37.2 | Very low | 164 Ų | 164 | 150.2 Ų | 150.2 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | cis | -154.5 | -167.8 | -14 | -147.1 | 172.8 | -162.8 | 0 | 0 | 109.8 | ||||
| 72 | K | 47.3 | Very low | 37.5 | Very low | 194 Ų | 194 | 152.2 Ų | 152.2 | 84% | 0.843 | 81% | 0.806 | S | S | * | * | trans | -139.8 | 137.1 | 175.6 | -60.7 | 174.4 | -177.2 | 171 | 0 | 111.4 | ||||
| 73 | P | 41.5 | Very low | 37.6 | Very low | 141 Ų | 141 | 150.6 Ų | 150.6 | 92% | 0.916 | 81% | 0.806 | S | S | * | * | -159.7 | -175.7 | 105.5 | 39.9 | -20.2 | 0 | 0 | 0 | 116.2 | |||||
| 74 | G | 30.6 | Very low | 36.8 | Very low | 75 Ų | 75 | 153.8 Ų | 153.8 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | trans | 155.2 | 143.6 | 160.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 75 | P | 46.1 | Very low | 36.5 | Very low | 135 Ų | 135 | 151.8 Ų | 151.8 | 88% | 0.877 | 81% | 0.812 | S | S | * | * | trans | -123.6 | -176.7 | -171.5 | 42.2 | -28.6 | 0 | 0 | 0 | 118.9 | ||||
| 76 | K | 40.9 | Very low | 36.3 | Very low | 201 Ų | 201 | 145.6 Ų | 145.6 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | trans | -67.7 | 158.1 | -172.3 | -49.5 | 167.4 | -176.4 | 172.7 | 0 | 115.8 | ||||
| 77 | P | 44.8 | Very low | 35.9 | Very low | 114 Ų | 114 | 145.4 Ų | 145.4 | 74% | 0.74 | 80% | 0.802 | S | S | * | * | -157.7 | 149.5 | 113.1 | 37.4 | -17.7 | 0 | 0 | 0 | 121.2 | |||||
| 78 | K | 38 | Very low | 35.8 | Very low | 196 Ų | 196 | 147.6 Ų | 147.6 | 85% | 0.852 | 81% | 0.811 | S | S | * | * | trans | 50.9 | 116.7 | 133 | -56.4 | 176.1 | -173.5 | 176.5 | 0 | 126.1 | ||||
| 79 | K | 34.7 | Very low | 35.7 | Very low | 217 Ų | 217 | 144.5 Ų | 144.5 | 94% | 0.943 | 80% | 0.802 | S | S | * | * | 66.6 | 153.8 | 129.8 | -69.3 | -168.9 | 175 | -174.5 | 0 | 124.1 | |||||
| 80 | A | 36.1 | Very low | 35.5 | Very low | 91 Ų | 91 | 145.4 Ų | 145.4 | 75% | 0.752 | 81% | 0.808 | S | S | * | * | trans | -92.8 | 177.4 | -170.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 81 | P | 40.6 | Very low | 35.3 | Very low | 135 Ų | 135 | 141.9 Ų | 141.9 | 88% | 0.877 | 81% | 0.805 | S | S | * | * | -147.3 | -160.8 | 91.4 | 39.8 | -20.6 | 0 | 0 | 0 | 116.8 | |||||
| 82 | K | 37.9 | Very low | 35.1 | Very low | 199 Ų | 199 | 140.1 Ų | 140.1 | 87% | 0.865 | 81% | 0.811 | S | S | * | * | trans | -107.6 | 174.3 | -165.5 | -50.8 | 171.2 | -179.3 | 175.1 | 0 | 114.2 | ||||
| 83 | L | 33.1 | Very low | 34.3 | Very low | 156 Ų | 156 | 134.7 Ų | 134.7 | 82% | 0.817 | 81% | 0.81 | S | S | * | * | 173.9 | 154.1 | 127.4 | -90.6 | 163.7 | 0 | 0 | 0 | 115 | |||||
| 84 | K | 30.3 | Very low | 33.8 | Very low | 183 Ų | 183 | 132.7 Ų | 132.7 | 80% | 0.796 | 81% | 0.805 | S | S | * | * | trans | 30.4 | 125.9 | 154 | -51 | -76.4 | -178.3 | 166.9 | 0 | 119.9 | ||||
| 85 | A | 27.8 | Very low | 34 | Very low | 94 Ų | 94 | 140.7 Ų | 140.7 | 78% | 0.777 | 81% | 0.812 | S | S | * | * | 71.6 | 137.4 | 66.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 86 | S | 27.9 | Very low | 33.7 | Very low | 100 Ų | 100 | 146.3 Ų | 146.3 | 70% | 0.699 | 82% | 0.816 | S | S | * | * | cis | -167.6 | -172.3 | 1.1 | 55.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 87 | T | 28.7 | Very low | 33.3 | Very low | 119 Ų | 119 | 140.5 Ų | 140.5 | 73% | 0.73 | 81% | 0.813 | S | S | * | * | trans | 74.9 | 129.8 | 153.7 | 23.6 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 88 | V | 31 | Very low | 32.9 | Very low | 137 Ų | 137 | 147.1 Ų | 147.1 | 83% | 0.83 | 82% | 0.823 | S | S | * | * | trans | 64.7 | 146.8 | 151.9 | -179.3 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 89 | S | 31.2 | Very low | 33.3 | Very low | 90 Ų | 90 | 141.3 Ų | 141.3 | 63% | 0.629 | 82% | 0.819 | S | S | * | * | cis | -165 | 138.7 | -41.6 | 60.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 90 | T | 29.4 | Very low | 33.5 | Very low | 137 Ų | 137 | 140.9 Ų | 140.9 | 84% | 0.84 | 82% | 0.818 | S | S | * | * | trans | 51.8 | 141.3 | 158.4 | 49.5 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 91 | S | 28.1 | Very low | 33.8 | Very low | 102 Ų | 102 | 142.2 Ų | 142.2 | 71% | 0.713 | 82% | 0.821 | S | S | * | * | cis | -161.6 | 170.2 | 0.8 | 60.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 92 | S | 32 | Very low | 34 | Very low | 126 Ų | 126 | 145.9 Ų | 145.9 | 88% | 0.881 | 82% | 0.823 | S | S | * | * | trans | 69 | 146.5 | 169.2 | 82.6 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 93 | G | 28.6 | Very low | 34.6 | Very low | 80 Ų | 80 | 145.1 Ų | 145.1 | 83% | 0.825 | 82% | 0.823 | S | S | * | * | trans | 146 | 108.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 94 | A | 32.5 | Very low | 35.4 | Very low | 99 Ų | 99 | 146.3 Ų | 146.3 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | trans | -109.6 | 107.6 | -173 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 95 | R | 33.2 | Very low | 36.2 | Very low | 243 Ų | 243 | 142.5 Ų | 142.5 | 92% | 0.917 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -178 | 119.8 | 147.3 | -101.7 | 156.9 | -174.9 | -163.9 | 1.7 | 111 | ||
| 96 | R | 40.3 | Very low | 37.4 | Very low | 254 Ų | 254 | 140.7 Ų | 140.7 | 96% | 0.958 | 80% | 0.8 | S | S | * | * | S | Bend | trans | 56.9 | 100.5 | 171.6 | -60.5 | -172.6 | 179.2 | -159.4 | 0.2 | 117 | ||
| 97 | G | 33.4 | Very low | 38.8 | Very low | 79 Ų | 79 | 142.2 Ų | 142.2 | 81% | 0.814 | 80% | 0.799 | S | S | * | * | trans | -178.3 | 169.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 98 | R | 35.3 | Very low | 40.2 | Very low | 252 Ų | 252 | 139.4 Ų | 139.4 | 95% | 0.951 | 78% | 0.784 | S | S | * | * | cis | -154.3 | 145.2 | -0.8 | -154.8 | 178 | -169.6 | -170 | 4.1 | 107.3 | ||||
| 99 | G | 46.3 | Very low | 41.4 | Very low | 75 Ų | 75 | 136.3 Ų | 136.3 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | trans | -79 | 132.2 | -168.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 100 | K | 39 | Very low | 42.7 | Very low | 208 Ų | 208 | 136.2 Ų | 136.2 | 90% | 0.904 | 75% | 0.752 | S | S | * | * | trans | -176.1 | 124.7 | 134.5 | -100.7 | 177.8 | -178.1 | -168.4 | 0 | 107.9 | ||||
| 101 | S | 42.5 | Very low | 44.1 | Very low | 119 Ų | 119 | 134.5 Ų | 134.5 | 83% | 0.832 | 74% | 0.737 | S | S | * | * | trans | -66.2 | 147.4 | 174.4 | 37 | 0 | 0 | 0 | 0 | 110.2 | Q103 | S101-Q103 PolarHBondContact O-N 3.38Š| ||
| 102 | K | 45.3 | Very low | 45.8 | Very low | 211 Ų | 211 | 138.4 Ų | 138.4 | 92% | 0.917 | 74% | 0.736 | S | S | * | * | trans | -66.9 | 103.9 | 170 | -72.7 | -175.8 | 175.8 | -176.2 | 0 | 108.3 | ||||
| 103 | Q | 50 | Low | 47.9 | Very low | 184 Ų | 184 | 135.6 Ų | 135.6 | 86% | 0.86 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 138.4 | 148.1 | -89.3 | 171.9 | -59.4 | 0 | 0 | 107.3 | S101 | S101-Q103 PolarHBondContact O-N 3.38Š|
| 104 | Q | 49.6 | Very low | 49.8 | Very low | 180 Ų | 180 | 139.4 Ų | 139.4 | 84% | 0.841 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 145.5 | 161.4 | -69.9 | -168.1 | -41.5 | 0 | 0 | 108.2 | S106 | Q104-S106 PolarHBondContact O-N 3.28Š|
| 105 | P | 47.3 | Very low | 51.5 | Low | 103 Ų | 103 | 142 Ų | 142 | 67% | 0.669 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 129.3 | 170 | 25.9 | -33.2 | 0 | 0 | 0 | 108 | N109 | P105-N109 HydrophobicContact CB-CB 4.06Š|
| 106 | S | 53.3 | Low | 53 | Low | 57 Ų | 57 | 133.7 Ų | 133.7 | 40% | 0.399 | 68% | 0.676 | S | S | . | * | P | Polyproline II helix | trans | -59 | 156.3 | 175.8 | 50.6 | 0 | 0 | 0 | 0 | 110.2 | Q104 S108 N109 | Q104-S106 PolarHBondContact O-N 3.28Å; S106-S108 WeakPolarHBondContact CB-OG 3.35Å; S106-S108 PolarHBondContact O-N 2.91Å; S106-S108 VanDerWaalsContact O-N 3.12Å; S106-S108 PolarHBondContact OG-OG 3.18Å; S106-N109 WeakPolarHBondContact O-CB 3.32Å; S106-N109 PolarHBondContact O-N 2.88Å |
| 107 | I | 58.1 | Low | 54.5 | Low | 131 Ų | 131 | 126 Ų | 126 | 67% | 0.672 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -55.9 | -31.8 | 175.1 | -65.6 | 169 | 0 | 0 | 0 | 110.5 | N109 F110 L111 | I107-N109 PolarHBondContact O-N 3.3Å; I107-F110 WeakPolarHBondContact O-CB 3.45Å; I107-F110 PolarHBondContact O-N 3.26Å; I107-L111 HydrophobicContact CG2-CD1 3.87Å; I107-L111 HydrophobicContact CG2-CG 4.13Å; I107-L111 WeakPolarHBondContact O-CG 3.39Å; I107-L111 PolarHBondContact O-N 3.33Å |
| 108 | S | 57.3 | Low | 56.3 | Low | 60 Ų | 60 | 124.9 Ų | 124.9 | 42% | 0.42 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -63.9 | -12.4 | 171.2 | 59.4 | 0 | 0 | 0 | 0 | 115.8 | S106 R112 | S106-S108 WeakPolarHBondContact CB-OG 3.35Å; S106-S108 PolarHBondContact O-N 2.91Å; S106-S108 VanDerWaalsContact O-N 3.12Å; S106-S108 PolarHBondContact OG-OG 3.18Å; S108-R112 VanDerWaalsContact O-CB 3.25Å; S108-R112 WeakPolarHBondContact O-CB 3.47Å; S108-R112 WeakPolarHBondContact O-CG 3.38Å; S108-R112 PolarHBondContact O-N 3.42Å; S108-R112 PolarHBondContact O-NE 2.88Å |
| 109 | N | 56.6 | Low | 57.9 | Low | 73 Ų | 73 | 118 Ų | 118 | 39% | 0.39 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -92 | -25.4 | 169.6 | -70.2 | -3.1 | 0 | 0 | 0 | 112.4 | P105 S106 I107 R112 N113 | P105-N109 HydrophobicContact CB-CB 4.06Å; S106-N109 WeakPolarHBondContact O-CB 3.32Å; S106-N109 PolarHBondContact O-N 2.88Å; I107-N109 PolarHBondContact O-N 3.3Å; N109-R112 PolarHBondContact OD1-NH2 2.97Å; N109-N113 PolarHBondContact O-N 3.4Å |
| 110 | F | 58.3 | Low | 59.1 | Low | 88 Ų | 88 | 116.6 Ų | 116.6 | 39% | 0.386 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -73 | -49.5 | 170.6 | -174.5 | -98.5 | 0 | 0 | 0 | 109.8 | I107 R112 N113 I116 F117 V120 | I107-F110 WeakPolarHBondContact O-CB 3.45Å; I107-F110 PolarHBondContact O-N 3.26Å; F110-R112 VanDerWaalsContact C-N 3.29Å; F110-R112 PolarHBondContact O-N 3.06Å; F110-N113 PolarHBondContact O-N 2.75Å; F110-I116 HydrophobicContact CD2-CG2 4.06Å; F110-I116 HydrophobicContact CE2-CG2 3.56Å; F110-I116 HydrophobicContact CZ-CG2 4.28Å; F110-F117 HydrophobicContact CD1-CD2 4.28Å; F110-F117 AromaticContact CE1-CD2 3.92Å; F110-F117 HydrophobicContact CE1-CD2 3.92Å; F110-V120 HydrophobicContact CE2-CG2 4.39Å; F110-V120 HydrophobicContact CZ-CB 4.16Å; F110-V120 HydrophobicContact CZ-CG1 4.21Å; F110-V120 HydrophobicContact CZ-CG2 4.06Å |
| 111 | L | 58.3 | Low | 60.4 | Low | 101 Ų | 101 | 109.3 Ų | 109.3 | 53% | 0.529 | 56% | 0.56 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.1 | -25.6 | 175.9 | -64.6 | 173.8 | 0 | 0 | 0 | 114 | I107 F117 | I107-L111 HydrophobicContact CG2-CD1 3.87Å; I107-L111 HydrophobicContact CG2-CG 4.13Å; I107-L111 WeakPolarHBondContact O-CG 3.39Å; I107-L111 PolarHBondContact O-N 3.33Å; L111-F117 HydrophobicContact CD2-CD2 3.83Å; L111-F117 HydrophobicContact CD2-CE2 3.75Å |
| 112 | R | 64.8 | Low | 61.6 | Low | 183 Ų | 183 | 106 Ų | 106 | 69% | 0.691 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -11.5 | 172.2 | -81.4 | -175 | -67.5 | -170.1 | -2.7 | 114.1 | S108 N109 F110 E114 | S108-R112 VanDerWaalsContact O-CB 3.25Å; S108-R112 WeakPolarHBondContact O-CB 3.47Å; S108-R112 WeakPolarHBondContact O-CG 3.38Å; S108-R112 PolarHBondContact O-N 3.42Å; S108-R112 PolarHBondContact O-NE 2.88Å; N109-R112 PolarHBondContact OD1-NH2 2.97Å; F110-R112 VanDerWaalsContact C-N 3.29Å; F110-R112 PolarHBondContact O-N 3.06Å; R112-E114 PolarHBondContact O-N 3.27Å |
| 113 | N | 75.1 | Confident | 62.8 | Low | 68 Ų | 68 | 101 Ų | 101 | 36% | 0.364 | 52% | 0.519 | S | S | . | . | trans | -98 | 75.5 | 171.3 | -164.5 | -20.2 | 0 | 0 | 0 | 108.5 | N109 F110 Q115 I116 F117 | N109-N113 PolarHBondContact O-N 3.4Å; F110-N113 PolarHBondContact O-N 2.75Å; N113-Q115 PolarHBondContact O-N 2.97Å; N113-Q115 VanDerWaalsContact O-N 3.08Å; N113-I116 HydrophobicContact CB-CB 4.33Å; N113-I116 HydrophobicContact CB-CD1 4.36Å; N113-I116 HydrophobicContact CB-CG1 4.38Å; N113-I116 WeakPolarHBondContact ND2-CD1 3.42Å; N113-I116 PolarHBondContact O-N 3.27Å; N113-F117 PolarHBondContact O-N 2.86Å | ||
| 114 | E | 68.9 | Low | 63.7 | Low | 159 Ų | 159 | 97.6 Ų | 97.6 | 74% | 0.743 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -46.8 | -38 | -179 | -176.8 | 176.2 | -159.3 | 0 | 0 | 112.5 | R112 F117 A118 | R112-E114 PolarHBondContact O-N 3.27Å; E114-F117 PolarHBondContact O-N 2.99Å; E114-A118 WeakPolarHBondContact O-CB 3.33Å; E114-A118 PolarHBondContact O-N 3.19Å |
| 115 | Q | 67.8 | Low | 64.5 | Low | 153 Ų | 153 | 90.2 Ų | 90.2 | 72% | 0.715 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -65.8 | -41.6 | 177.8 | -169.7 | 170.4 | 10 | 0 | 0 | 112.9 | N113 E119 | N113-Q115 PolarHBondContact O-N 2.97Å; N113-Q115 VanDerWaalsContact O-N 3.08Å; Q115-E119 VanDerWaalsContact O-CB 3.23Å; Q115-E119 WeakPolarHBondContact O-CB 3.47Å; Q115-E119 PolarHBondContact O-N 3.41Å |
| 116 | I | 65.8 | Low | 65.1 | Low | 70 Ų | 70 | 92.7 Ų | 92.7 | 36% | 0.359 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -71.8 | -37.9 | 174.8 | -62.6 | -178.7 | 0 | 0 | 0 | 110.5 | F110 N113 E119 V120 | F110-I116 HydrophobicContact CD2-CG2 4.06Å; F110-I116 HydrophobicContact CE2-CG2 3.56Å; F110-I116 HydrophobicContact CZ-CG2 4.28Å; N113-I116 HydrophobicContact CB-CB 4.33Å; N113-I116 HydrophobicContact CB-CD1 4.36Å; N113-I116 HydrophobicContact CB-CG1 4.38Å; N113-I116 WeakPolarHBondContact ND2-CD1 3.42Å; N113-I116 PolarHBondContact O-N 3.27Å; I116-E119 PolarHBondContact O-N 3.44Å; I116-V120 HydrophobicContact CG2-CG2 4.25Å; I116-V120 WeakPolarHBondContact O-CB 3.49Å; I116-V120 WeakPolarHBondContact O-CG2 3.35Å; I116-V120 PolarHBondContact O-N 3.39Å |
| 117 | F | 71.8 | Confident | 65.6 | Low | 93 Ų | 93 | 93.4 Ų | 93.4 | 41% | 0.408 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64 | -44.6 | 176.6 | -176 | -96.6 | 0 | 0 | 0 | 111.5 | F110 L111 N113 E114 T121 | F110-F117 HydrophobicContact CD1-CD2 4.28Å; F110-F117 AromaticContact CE1-CD2 3.92Å; F110-F117 HydrophobicContact CE1-CD2 3.92Å; L111-F117 HydrophobicContact CD2-CD2 3.83Å; L111-F117 HydrophobicContact CD2-CE2 3.75Å; N113-F117 PolarHBondContact O-N 2.86Å; E114-F117 PolarHBondContact O-N 2.99Å; F117-T121 VanDerWaalsContact O-CB 3.23Å; F117-T121 WeakPolarHBondContact O-CB 3.05Å; F117-T121 PolarHBondContact O-N 3.43Å; F117-T121 PolarHBondContact O-OG1 3.02Å |
| 118 | A | 71.4 | Confident | 66.1 | Low | 54 Ų | 54 | 90.9 Ų | 90.9 | 45% | 0.446 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66.3 | -41.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | E114 T121 A122 | E114-A118 WeakPolarHBondContact O-CB 3.33Å; E114-A118 PolarHBondContact O-N 3.19Å; A118-T121 PolarHBondContact O-N 3.13Å; A118-A122 VanDerWaalsContact O-CB 3.26Å; A118-A122 WeakPolarHBondContact O-CB 3.21Å; A118-A122 PolarHBondContact O-N 3.19Å |
| 119 | E | 69.2 | Low | 66.4 | Low | 108 Ų | 108 | 95 Ų | 95 | 51% | 0.505 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.7 | -47.1 | 176 | -175.3 | -177.4 | 169.6 | 0 | 0 | 111.7 | Q115 I116 A122 Q123 | Q115-E119 VanDerWaalsContact O-CB 3.23Å; Q115-E119 WeakPolarHBondContact O-CB 3.47Å; Q115-E119 PolarHBondContact O-N 3.41Å; I116-E119 PolarHBondContact O-N 3.44Å; E119-A122 PolarHBondContact O-N 2.76Å; E119-Q123 WeakPolarHBondContact O-CB 3.26Å; E119-Q123 VanDerWaalsContact O-CG 3.27Å; E119-Q123 WeakPolarHBondContact O-CG 3.44Å; E119-Q123 PolarHBondContact O-N 2.93Å; E119-Q123 PolarHBondContact OE1-NE2 2.93Å |
| 120 | V | 71.1 | Confident | 66.5 | Low | 45 Ų | 45 | 97.5 Ų | 97.5 | 27% | 0.273 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.9 | -37.5 | 177.4 | 171.3 | 0 | 0 | 0 | 0 | 111.4 | F110 I116 Q123 H124 | F110-V120 HydrophobicContact CE2-CG2 4.39Å; F110-V120 HydrophobicContact CZ-CB 4.16Å; F110-V120 HydrophobicContact CZ-CG1 4.21Å; F110-V120 HydrophobicContact CZ-CG2 4.06Å; I116-V120 HydrophobicContact CG2-CG2 4.25Å; I116-V120 WeakPolarHBondContact O-CB 3.49Å; I116-V120 WeakPolarHBondContact O-CG2 3.35Å; I116-V120 PolarHBondContact O-N 3.39Å; V120-Q123 PolarHBondContact O-N 3.02Å; V120-H124 PolarHBondContact O-CD2 3.36Å; V120-H124 PolarHBondContact O-N 3Å |
| 121 | T | 65.7 | Low | 67 | Low | 56 Ų | 56 | 95.6 Ų | 95.6 | 34% | 0.344 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.8 | -48.4 | 174.6 | -57.6 | 0 | 0 | 0 | 0 | 110.3 | F117 A118 Q123 H124 C125 | F117-T121 VanDerWaalsContact O-CB 3.23Å; F117-T121 WeakPolarHBondContact O-CB 3.05Å; F117-T121 PolarHBondContact O-N 3.43Å; F117-T121 PolarHBondContact O-OG1 3.02Å; A118-T121 PolarHBondContact O-N 3.13Å; T121-Q123 VanDerWaalsContact C-N 3.35Å; T121-Q123 PolarHBondContact O-N 3.5Å; T121-H124 CarbonylContact O-C 3.58Å; T121-H124 WeakPolarHBondContact O-CA 2.85Å; T121-H124 WeakPolarHBondContact O-CB 3.19Å; T121-H124 PolarHBondContact O-N 2.9Å; T121-C125 PolarHBondContact O-N 2.98Å; T121-C125 PolarHBondContact O-SG 3.49Å |
| 122 | A | 68.4 | Low | 67.5 | Low | 48 Ų | 48 | 94.2 Ų | 94.2 | 40% | 0.397 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.7 | -41.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A118 E119 H124 C125 M126 | A118-A122 VanDerWaalsContact O-CB 3.26Å; A118-A122 WeakPolarHBondContact O-CB 3.21Å; A118-A122 PolarHBondContact O-N 3.19Å; E119-A122 PolarHBondContact O-N 2.76Å; A122-H124 VanDerWaalsContact C-N 3.29Å; A122-H124 PolarHBondContact O-N 2.69Å; A122-C125 PolarHBondContact O-N 3.22Å; A122-M126 WeakPolarHBondContact O-CB 3.37Å; A122-M126 VanDerWaalsContact O-CG 3.28Å; A122-M126 WeakPolarHBondContact O-CG 3.22Å; A122-M126 PolarHBondContact O-N 3.21Å |
| 123 | Q | 71.1 | Confident | 67.7 | Low | 107 Ų | 107 | 91 Ų | 91 | 50% | 0.5 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.8 | -36.6 | 173.5 | -74.5 | 173.5 | 17.8 | 0 | 0 | 112.3 | E119 V120 T121 A127 | E119-Q123 WeakPolarHBondContact O-CB 3.26Å; E119-Q123 VanDerWaalsContact O-CG 3.27Å; E119-Q123 WeakPolarHBondContact O-CG 3.44Å; E119-Q123 PolarHBondContact O-N 2.93Å; E119-Q123 PolarHBondContact OE1-NE2 2.93Å; V120-Q123 PolarHBondContact O-N 3.02Å; T121-Q123 VanDerWaalsContact C-N 3.35Å; T121-Q123 PolarHBondContact O-N 3.5Å; Q123-A127 VanDerWaalsContact O-CB 3.27Å; Q123-A127 WeakPolarHBondContact O-CB 3.35Å; Q123-A127 PolarHBondContact O-N 2.68Å |
| 124 | H | 67.3 | Low | 67.8 | Low | 113 Ų | 113 | 91.1 Ų | 91.1 | 52% | 0.523 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -70.8 | -44 | 173 | -90.3 | -74.5 | 0 | 0 | 0 | 112.8 | V120 T121 A122 M126 A127 D128 | V120-H124 PolarHBondContact O-CD2 3.36Å; V120-H124 PolarHBondContact O-N 3Å; T121-H124 CarbonylContact O-C 3.58Å; T121-H124 WeakPolarHBondContact O-CA 2.85Å; T121-H124 WeakPolarHBondContact O-CB 3.19Å; T121-H124 PolarHBondContact O-N 2.9Å; A122-H124 VanDerWaalsContact C-N 3.29Å; A122-H124 PolarHBondContact O-N 2.69Å; H124-M126 VanDerWaalsContact C-N 3.29Å; H124-M126 PolarHBondContact O-N 2.84Å; H124-A127 PolarHBondContact O-N 3.43Å; H124-D128 IonicContact ND1-OD2 2.65Å; H124-D128 PolarHBondContact O-N 3.47Å |
| 125 | C | 67.1 | Low | 68 | Low | 24 Ų | 24 | 86.6 Ų | 86.6 | 16% | 0.162 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -60 | -40.6 | 176 | -56.3 | 0 | 0 | 0 | 0 | 111.6 | T121 A122 A127 N129 F130 I135 | T121-C125 PolarHBondContact O-N 2.98Å; T121-C125 PolarHBondContact O-SG 3.49Å; A122-C125 PolarHBondContact O-N 3.22Å; C125-A127 VanDerWaalsContact C-N 3.34Å; C125-N129 WeakPolarHBondContact O-CA 3.19Å; C125-N129 PolarHBondContact O-N 3.24Å; C125-F130 HydrophobicContact CB-CB 4.42Å; C125-F130 PolarHBondContact O-N 2.83Å; C125-I135 HydrophobicContact CB-CD1 4.16Å; C125-I135 WeakPolarHBondContact SG-CD1 3.45Å |
| 126 | M | 59.1 | Low | 68.4 | Low | 156 Ų | 156 | 86 Ų | 86 | 77% | 0.768 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -68 | -28.4 | 173.2 | -70.2 | 179.4 | 72.8 | 0 | 0 | 113.6 | A122 H124 | A122-M126 WeakPolarHBondContact O-CB 3.37Å; A122-M126 VanDerWaalsContact O-CG 3.28Å; A122-M126 WeakPolarHBondContact O-CG 3.22Å; A122-M126 PolarHBondContact O-N 3.21Å; H124-M126 VanDerWaalsContact C-N 3.29Å; H124-M126 PolarHBondContact O-N 2.84Å |
| 127 | A | 64.3 | Low | 69 | Low | 72 Ų | 72 | 87.6 Ų | 87.6 | 60% | 0.595 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -84.2 | -30.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q123 H124 C125 | Q123-A127 VanDerWaalsContact O-CB 3.27Å; Q123-A127 WeakPolarHBondContact O-CB 3.35Å; Q123-A127 PolarHBondContact O-N 2.68Å; H124-A127 PolarHBondContact O-N 3.43Å; C125-A127 VanDerWaalsContact C-N 3.34Å |
| 128 | D | 69.3 | Low | 69.3 | Low | 77 Ų | 77 | 85.8 Ų | 85.8 | 41% | 0.412 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -102.1 | 7.9 | 178.5 | -68.9 | -60.3 | 0 | 0 | 0 | 112.9 | H124 F130 | H124-D128 IonicContact ND1-OD2 2.65Å; H124-D128 PolarHBondContact O-N 3.47Å; D128-F130 HydrophobicContact CB-CD2 3.9Å; D128-F130 HydrophobicContact CB-CE2 3.87Å |
| 129 | N | 62.1 | Low | 69.4 | Low | 148 Ų | 148 | 87.9 Ų | 87.9 | 79% | 0.791 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.8 | 36.9 | 175.8 | -61.7 | -40.9 | 0 | 0 | 0 | 116.5 | C125 | C125-N129 WeakPolarHBondContact O-CA 3.19Å; C125-N129 PolarHBondContact O-N 3.24Å |
| 130 | F | 60.3 | Low | 69.9 | Low | 124 Ų | 124 | 85.3 Ų | 85.3 | 54% | 0.544 | 48% | 0.483 | S | S | . | . | trans | -91 | 133.8 | 172.8 | -70.1 | -77.4 | 0 | 0 | 0 | 111.8 | C125 D128 I135 | C125-F130 HydrophobicContact CB-CB 4.42Å; C125-F130 PolarHBondContact O-N 2.83Å; D128-F130 HydrophobicContact CB-CD2 3.9Å; D128-F130 HydrophobicContact CB-CE2 3.87Å; F130-I135 HydrophobicContact CB-CD1 4.41Å | ||
| 131 | S | 68.1 | Low | 70 | Confident | 48 Ų | 48 | 88.6 Ų | 88.6 | 34% | 0.336 | 50% | 0.498 | S | S | . | . | trans | -69.1 | 156.1 | 169 | -170.8 | 0 | 0 | 0 | 0 | 110.9 | D133 D134 I135 | S131-D133 PolarHBondContact O-N 3.28Å; S131-D133 PolarHBondContact OG-N 3.41Å; S131-D133 PolarHBondContact OG-OD2 2.91Å; S131-D134 WeakPolarHBondContact CA-OD2 3.26Å; S131-D134 WeakPolarHBondContact CB-OD2 3.3Å; S131-D134 PolarHBondContact N-OD2 3.21Å; S131-D134 PolarHBondContact O-N 2.95Å; S131-I135 WeakPolarHBondContact O-CG1 3.29Å | ||
| 132 | A | 68.1 | Low | 70.6 | Confident | 72 Ų | 72 | 89.3 Ų | 89.3 | 60% | 0.595 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -59.5 | -37.4 | 166 | 0 | 0 | 0 | 0 | 0 | 110.7 | D134 I135 E136 | A132-D134 PolarHBondContact O-N 3.24Å; A132-I135 WeakPolarHBondContact O-CB 3.32Å; A132-I135 PolarHBondContact O-N 3.31Å; A132-I135 VanDerWaalsContact O-N 3.14Å; A132-E136 PolarHBondContact O-N 3.14Å |
| 133 | D | 69.6 | Low | 70.9 | Confident | 116 Ų | 116 | 93.9 Ų | 93.9 | 62% | 0.62 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -68.5 | -32.9 | -178.7 | -46.7 | -28.8 | 0 | 0 | 0 | 112.1 | S131 I135 E136 M137 | S131-D133 PolarHBondContact O-N 3.28Å; S131-D133 PolarHBondContact OG-N 3.41Å; S131-D133 PolarHBondContact OG-OD2 2.91Å; D133-I135 PolarHBondContact O-N 3.44Å; D133-E136 PolarHBondContact O-N 3.34Å; D133-M137 WeakPolarHBondContact O-CB 3.35Å; D133-M137 PolarHBondContact O-N 3.06Å |
| 134 | D | 78.4 | Confident | 71.1 | Confident | 70 Ų | 70 | 92.1 Ų | 92.1 | 37% | 0.374 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.1 | -35.3 | 173.8 | -65.1 | -47.1 | 0 | 0 | 0 | 111.1 | S131 A132 A138 | S131-D134 WeakPolarHBondContact CA-OD2 3.26Å; S131-D134 WeakPolarHBondContact CB-OD2 3.3Å; S131-D134 PolarHBondContact N-OD2 3.21Å; S131-D134 PolarHBondContact O-N 2.95Å; A132-D134 PolarHBondContact O-N 3.24Å; D134-A138 VanDerWaalsContact O-CB 3.29Å; D134-A138 WeakPolarHBondContact O-CB 3.36Å; D134-A138 PolarHBondContact O-N 3.2Å |
| 135 | I | 71.9 | Confident | 71.1 | Confident | 64 Ų | 64 | 92.3 Ų | 92.3 | 33% | 0.328 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -79.3 | -40 | -178.9 | -60.5 | 163.2 | 0 | 0 | 0 | 110.1 | C125 F130 S131 A132 D133 A138 L139 | C125-I135 HydrophobicContact CB-CD1 4.16Å; C125-I135 WeakPolarHBondContact SG-CD1 3.45Å; F130-I135 HydrophobicContact CB-CD1 4.41Å; S131-I135 WeakPolarHBondContact O-CG1 3.29Å; A132-I135 WeakPolarHBondContact O-CB 3.32Å; A132-I135 PolarHBondContact O-N 3.31Å; A132-I135 VanDerWaalsContact O-N 3.14Å; D133-I135 PolarHBondContact O-N 3.44Å; I135-A138 PolarHBondContact O-N 3.47Å; I135-L139 HydrophobicContact CG2-CD1 4.24Å; I135-L139 WeakPolarHBondContact O-CB 3.47Å; I135-L139 VanDerWaalsContact O-CG 3.26Å; I135-L139 WeakPolarHBondContact O-CG 3.24Å; I135-L139 PolarHBondContact O-N 3.21Å |
| 136 | E | 76.6 | Confident | 70.9 | Confident | 141 Ų | 141 | 93 Ų | 93 | 66% | 0.659 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.9 | -41.3 | 171.7 | -176.3 | 158.3 | -167.7 | 0 | 0 | 111.4 | A132 D133 L139 A140 | A132-E136 PolarHBondContact O-N 3.14Å; D133-E136 PolarHBondContact O-N 3.34Å; E136-L139 CarbonylContact O-C 3.59Å; E136-L139 PolarHBondContact O-N 3.16Å; E136-A140 WeakPolarHBondContact O-CB 3.23Å; E136-A140 PolarHBondContact O-N 2.86Å |
| 137 | M | 78.5 | Confident | 71.2 | Confident | 104 Ų | 104 | 92.3 Ų | 92.3 | 51% | 0.512 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.3 | -45.4 | 171.6 | 175.9 | 168.5 | 49.9 | 0 | 0 | 111.6 | D133 L139 A140 L141 | D133-M137 WeakPolarHBondContact O-CB 3.35Å; D133-M137 PolarHBondContact O-N 3.06Å; M137-L139 VanDerWaalsContact C-N 3.33Å; M137-L139 PolarHBondContact O-N 3.09Å; M137-A140 PolarHBondContact O-N 2.96Å; M137-L141 HydrophobicContact CG-CD1 3.98Å; M137-L141 HydrophobicContact CG-CG 4.46Å; M137-L141 WeakPolarHBondContact O-CB 3.33Å; M137-L141 VanDerWaalsContact O-CG 3.27Å; M137-L141 WeakPolarHBondContact O-CG 3.22Å; M137-L141 PolarHBondContact O-N 3.49Å |
| 138 | A | 76.8 | Confident | 71.1 | Confident | 54 Ų | 54 | 97.6 Ų | 97.6 | 45% | 0.446 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.7 | -37.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | D134 I135 S142 | D134-A138 VanDerWaalsContact O-CB 3.29Å; D134-A138 WeakPolarHBondContact O-CB 3.36Å; D134-A138 PolarHBondContact O-N 3.2Å; I135-A138 PolarHBondContact O-N 3.47Å; A138-S142 WeakPolarHBondContact O-CB 3.39Å; A138-S142 PolarHBondContact O-N 2.88Å |
| 139 | L | 74.9 | Confident | 70.5 | Confident | 98 Ų | 98 | 100.3 Ų | 100.3 | 51% | 0.513 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -70.2 | -36.3 | 174.5 | -73.4 | 168.7 | 0 | 0 | 0 | 112.4 | I135 E136 M137 K143 | I135-L139 HydrophobicContact CG2-CD1 4.24Å; I135-L139 WeakPolarHBondContact O-CB 3.47Å; I135-L139 VanDerWaalsContact O-CG 3.26Å; I135-L139 WeakPolarHBondContact O-CG 3.24Å; I135-L139 PolarHBondContact O-N 3.21Å; E136-L139 CarbonylContact O-C 3.59Å; E136-L139 PolarHBondContact O-N 3.16Å; M137-L139 VanDerWaalsContact C-N 3.33Å; M137-L139 PolarHBondContact O-N 3.09Å; L139-K143 WeakPolarHBondContact O-CB 3.46Å; L139-K143 VanDerWaalsContact O-CG 3.26Å; L139-K143 WeakPolarHBondContact O-CG 3.25Å; L139-K143 PolarHBondContact O-N 2.73Å |
| 140 | A | 78.4 | Confident | 70.1 | Confident | 54 Ų | 54 | 96.2 Ų | 96.2 | 45% | 0.446 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68.1 | -45 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | E136 M137 K143 S144 | E136-A140 WeakPolarHBondContact O-CB 3.23Å; E136-A140 PolarHBondContact O-N 2.86Å; M137-A140 PolarHBondContact O-N 2.96Å; A140-K143 PolarHBondContact O-N 2.98Å; A140-S144 WeakPolarHBondContact O-CB 3.41Å; A140-S144 PolarHBondContact O-N 3.41Å |
| 141 | L | 73.9 | Confident | 69.6 | Low | 114 Ų | 114 | 100.5 Ų | 100.5 | 60% | 0.597 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -60.9 | -45.6 | 173.1 | -71 | 169.3 | 0 | 0 | 0 | 111.3 | M137 S144 E145 | M137-L141 HydrophobicContact CG-CD1 3.98Å; M137-L141 HydrophobicContact CG-CG 4.46Å; M137-L141 WeakPolarHBondContact O-CB 3.33Å; M137-L141 VanDerWaalsContact O-CG 3.27Å; M137-L141 WeakPolarHBondContact O-CG 3.22Å; M137-L141 PolarHBondContact O-N 3.49Å; L141-S144 PolarHBondContact O-N 3.01Å; L141-E145 WeakPolarHBondContact O-CB 3.25Å; L141-E145 PolarHBondContact O-N 3.24Å |
| 142 | S | 77.8 | Confident | 68.5 | Low | 72 Ų | 72 | 103.7 Ų | 103.7 | 50% | 0.503 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.9 | -39.8 | 177.3 | -176.1 | 0 | 0 | 0 | 0 | 112.6 | A138 S146 | A138-S142 WeakPolarHBondContact O-CB 3.39Å; A138-S142 PolarHBondContact O-N 2.88Å; S142-S146 WeakPolarHBondContact O-CB 3.32Å; S142-S146 PolarHBondContact O-N 3.08Å; S142-S146 PolarHBondContact O-OG 2.76Å |
| 143 | K | 75.2 | Confident | 67.1 | Low | 143 Ų | 143 | 111.8 Ų | 111.8 | 62% | 0.622 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -61.1 | -52.9 | 171.6 | -79.4 | 171.7 | -179.5 | 174.7 | 0 | 111.2 | L139 A140 E145 S146 E147 | L139-K143 WeakPolarHBondContact O-CB 3.46Å; L139-K143 VanDerWaalsContact O-CG 3.26Å; L139-K143 WeakPolarHBondContact O-CG 3.25Å; L139-K143 PolarHBondContact O-N 2.73Å; A140-K143 PolarHBondContact O-N 2.98Å; K143-E145 VanDerWaalsContact C-N 3.3Å; K143-E145 PolarHBondContact O-N 2.95Å; K143-S146 PolarHBondContact O-N 2.8Å; K143-S146 VanDerWaalsContact O-N 3.07Å; K143-S146 PolarHBondContact O-OG 3.43Å; K143-E147 WeakPolarHBondContact O-CB 3.39Å; K143-E147 PolarHBondContact O-N 3.18Å |
| 144 | S | 74.5 | Confident | 66 | Low | 70 Ų | 70 | 113.5 Ų | 113.5 | 49% | 0.49 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -59.5 | -39 | 179.2 | -173.9 | 0 | 0 | 0 | 0 | 112.2 | A140 L141 E147 K148 | A140-S144 WeakPolarHBondContact O-CB 3.41Å; A140-S144 PolarHBondContact O-N 3.41Å; L141-S144 PolarHBondContact O-N 3.01Å; S144-E147 PolarHBondContact O-N 2.93Å; S144-K148 VanDerWaalsContact O-CB 3.27Å; S144-K148 WeakPolarHBondContact O-CB 3.4Å; S144-K148 PolarHBondContact O-N 3.44Å |
| 145 | E | 68.9 | Low | 64 | Low | 118 Ų | 118 | 118.7 Ų | 118.7 | 55% | 0.551 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -68.3 | -39.3 | 174.1 | -174.5 | 168.4 | -141.2 | 0 | 0 | 112 | L141 K143 E147 K148 H149 | L141-E145 WeakPolarHBondContact O-CB 3.25Å; L141-E145 PolarHBondContact O-N 3.24Å; K143-E145 VanDerWaalsContact C-N 3.3Å; K143-E145 PolarHBondContact O-N 2.95Å; E145-E147 VanDerWaalsContact C-N 3.32Å; E145-E147 PolarHBondContact O-N 3.5Å; E145-K148 PolarHBondContact O-N 3.01Å; E145-H149 WeakPolarHBondContact CG-ND1 3.44Å; E145-H149 PolarHBondContact O-N 3.47Å; E145-H149 PolarHBondContact O-ND1 3.43Å; E145-H149 IonicContact OE1-CE1 3.23Å |
| 146 | S | 62.2 | Low | 62.8 | Low | 38 Ų | 38 | 122 Ų | 122 | 27% | 0.266 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -66.5 | -33.4 | 176.2 | 77.9 | 0 | 0 | 0 | 0 | 113.3 | S142 K143 G150 R151 | S142-S146 WeakPolarHBondContact O-CB 3.32Å; S142-S146 PolarHBondContact O-N 3.08Å; S142-S146 PolarHBondContact O-OG 2.76Å; K143-S146 PolarHBondContact O-N 2.8Å; K143-S146 VanDerWaalsContact O-N 3.07Å; K143-S146 PolarHBondContact O-OG 3.43Å; S146-G150 PolarHBondContact O-N 3.16Å; S146-R151 PolarHBondContact O-N 2.91Å |
| 147 | E | 65.1 | Low | 61.2 | Low | 142 Ų | 142 | 122.5 Ų | 122.5 | 66% | 0.664 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -71.7 | -45.1 | 174.1 | -177.5 | 173.5 | -158.1 | 0 | 0 | 111.1 | K143 S144 E145 H149 G150 | K143-E147 WeakPolarHBondContact O-CB 3.39Å; K143-E147 PolarHBondContact O-N 3.18Å; S144-E147 PolarHBondContact O-N 2.93Å; E145-E147 VanDerWaalsContact C-N 3.32Å; E145-E147 PolarHBondContact O-N 3.5Å; E147-H149 PolarHBondContact O-N 2.87Å; E147-G150 WeakPolarHBondContact O-CA 3.1Å; E147-G150 PolarHBondContact O-N 2.87Å |
| 148 | K | 62.1 | Low | 59.4 | Low | 183 Ų | 183 | 125.3 Ų | 125.3 | 80% | 0.796 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -59.3 | -31.4 | 172.8 | -175.6 | 178.4 | -180 | -179.5 | 0 | 113 | S144 E145 G150 | S144-K148 VanDerWaalsContact O-CB 3.27Å; S144-K148 WeakPolarHBondContact O-CB 3.4Å; S144-K148 PolarHBondContact O-N 3.44Å; E145-K148 PolarHBondContact O-N 3.01Å; K148-G150 VanDerWaalsContact C-N 3.27Å |
| 149 | H | 56.4 | Low | 58 | Low | 134 Ų | 134 | 130.8 Ų | 130.8 | 62% | 0.62 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | 8.2 | 172.1 | -72.2 | 93.9 | 0 | 0 | 0 | 113.8 | E145 E147 R151 | E145-H149 WeakPolarHBondContact CG-ND1 3.44Å; E145-H149 PolarHBondContact O-N 3.47Å; E145-H149 PolarHBondContact O-ND1 3.43Å; E145-H149 IonicContact OE1-CE1 3.23Å; E147-H149 PolarHBondContact O-N 2.87Å; H149-R151 PolarHBondContact O-N 3.42Å; H149-R151 VanDerWaalsContact O-N 3.16Å |
| 150 | G | 54.6 | Low | 56.1 | Low | 61 Ų | 61 | 130.1 Ų | 130.1 | 63% | 0.629 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 64.3 | 18.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | S146 E147 K148 L152 | S146-G150 PolarHBondContact O-N 3.16Å; E147-G150 WeakPolarHBondContact O-CA 3.1Å; E147-G150 PolarHBondContact O-N 2.87Å; K148-G150 VanDerWaalsContact C-N 3.27Å; G150-L152 VanDerWaalsContact C-N 3.33Å; G150-L152 PolarHBondContact O-N 3.46Å |
| 151 | R | 50 | Low | 54.7 | Low | 215 Ų | 215 | 133.7 Ų | 133.7 | 81% | 0.811 | 69% | 0.689 | S | S | * | * | trans | -87.7 | -0.3 | -166.1 | -144.3 | 173.3 | -168 | -85 | -5.1 | 114.4 | S146 H149 | S146-R151 PolarHBondContact O-N 2.91Å; H149-R151 PolarHBondContact O-N 3.42Å; H149-R151 VanDerWaalsContact O-N 3.16Å | ||
| 152 | L | 43.9 | Very low | 52.8 | Low | 114 Ų | 114 | 133.3 Ų | 133.3 | 60% | 0.597 | 69% | 0.691 | S | S | * | * | trans | -110.9 | 88 | 172.4 | -72.2 | 172 | 0 | 0 | 0 | 110.4 | G150 | G150-L152 VanDerWaalsContact C-N 3.33Å; G150-L152 PolarHBondContact O-N 3.46Å | ||
| 153 | R | 38.7 | Very low | 51 | Low | 243 Ų | 243 | 136 Ų | 136 | 92% | 0.917 | 70% | 0.699 | S | S | * | * | trans | -108.1 | 109.8 | 146.8 | -90 | -167 | 168.5 | 115.5 | 0.9 | 107.9 | ||||
| 154 | L | 47.4 | Very low | 49.2 | Very low | 151 Ų | 151 | 136.5 Ų | 136.5 | 79% | 0.791 | 71% | 0.708 | S | S | * | * | trans | -77.6 | 118.8 | 165.4 | -68.4 | 171.1 | 0 | 0 | 0 | 108.3 | ||||
| 155 | H | 37.3 | Very low | 47.7 | Very low | 180 Ų | 180 | 140 Ų | 140 | 83% | 0.833 | 72% | 0.72 | S | S | * | * | trans | -152.4 | 122.3 | 140.2 | -139 | -70.7 | 0 | 0 | 0 | 108.3 | ||||
| 156 | D | 46.3 | Very low | 46.4 | Very low | 132 Ų | 132 | 142.4 Ų | 142.4 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | trans | -71 | 144 | 168.2 | -53.3 | -75.8 | 0 | 0 | 0 | 109.3 | ||||
| 157 | D | 42.7 | Very low | 45.9 | Very low | 152 Ų | 152 | 144.5 Ų | 144.5 | 81% | 0.813 | 75% | 0.746 | S | S | * | * | -176.3 | 170.2 | 115.1 | -88.8 | -32.4 | 0 | 0 | 0 | 110.7 | |||||
| 158 | D | 40 | Very low | 45.6 | Very low | 163 Ų | 163 | 145.5 Ų | 145.5 | 87% | 0.872 | 75% | 0.75 | S | S | * | * | trans | 71.7 | 118.6 | 176.9 | -68.6 | -26.6 | 0 | 0 | 0 | 120.2 | A160 | D158-A160 PolarHBondContact O-N 3.33Š| ||
| 159 | D | 47.1 | Very low | 45.3 | Very low | 170 Ų | 170 | 142.2 Ų | 142.2 | 91% | 0.909 | 74% | 0.737 | S | S | * | * | trans | -67.3 | 117.7 | 171.1 | -86.3 | -58.8 | 0 | 0 | 0 | 112.3 | ||||
| 160 | A | 35.5 | Very low | 45.4 | Very low | 84 Ų | 84 | 142.4 Ų | 142.4 | 69% | 0.694 | 74% | 0.737 | S | S | * | * | trans | -127 | 99.9 | 164 | 0 | 0 | 0 | 0 | 0 | 110.8 | D158 V162 | D158-A160 PolarHBondContact O-N 3.33Å; A160-V162 VanDerWaalsContact C-N 3.32Å; A160-V162 HydrophobicContact CB-CG2 4.48Å; A160-V162 PolarHBondContact O-N 3.45Å | ||
| 161 | V | 48.7 | Very low | 45.7 | Very low | 129 Ų | 129 | 142 Ų | 142 | 78% | 0.782 | 73% | 0.725 | S | S | * | * | trans | -72.1 | 89.5 | 170.2 | -178.9 | 0 | 0 | 0 | 0 | 108.8 | D163 | V161-D163 PolarHBondContact O-N 3.45Š| ||
| 162 | V | 34.2 | Very low | 46.6 | Very low | 105 Ų | 105 | 134.6 Ų | 134.6 | 64% | 0.636 | 70% | 0.703 | S | S | * | * | trans | -86.6 | 101.8 | 168.4 | -174.1 | 0 | 0 | 0 | 0 | 108.1 | A160 L164 | A160-V162 VanDerWaalsContact C-N 3.32Å; A160-V162 HydrophobicContact CB-CG2 4.48Å; A160-V162 PolarHBondContact O-N 3.45Å; V162-L164 HydrophobicContact CG1-CD2 3.82Å; V162-L164 HydrophobicContact CG1-CG 4Å; V162-L164 PolarHBondContact O-N 3.16Å | ||
| 163 | D | 40.6 | Very low | 47.9 | Very low | 129 Ų | 129 | 132.2 Ų | 132.2 | 69% | 0.69 | 69% | 0.689 | S | S | * | * | trans | -61.7 | 102 | 168.8 | -86.4 | -47.7 | 0 | 0 | 0 | 109.4 | V161 L165 | V161-D163 PolarHBondContact O-N 3.45Å; D163-L165 VanDerWaalsContact C-N 3.26Å; D163-L165 PolarHBondContact O-N 3.07Å | ||
| 164 | L | 37.8 | Very low | 49.6 | Very low | 153 Ų | 153 | 130.4 Ų | 130.4 | 80% | 0.801 | 68% | 0.682 | S | S | * | * | trans | -96 | 41 | 169.7 | -65.6 | -178.4 | 0 | 0 | 0 | 111.7 | V162 | V162-L164 HydrophobicContact CG1-CD2 3.82Å; V162-L164 HydrophobicContact CG1-CG 4Å; V162-L164 PolarHBondContact O-N 3.16Å | ||
| 165 | L | 42.8 | Very low | 51 | Low | 143 Ų | 143 | 128.2 Ų | 128.2 | 75% | 0.749 | 67% | 0.67 | S | S | * | * | trans | -87.2 | 96 | 158.2 | -66.1 | 176 | 0 | 0 | 0 | 107.6 | D163 | D163-L165 VanDerWaalsContact C-N 3.26Å; D163-L165 PolarHBondContact O-N 3.07Å | ||
| 166 | D | 40.8 | Very low | 52.8 | Low | 170 Ų | 170 | 124.1 Ų | 124.1 | 91% | 0.909 | 65% | 0.647 | S | S | * | * | S | Bend | trans | 171.5 | -9.5 | 149 | -91 | -13.7 | 0 | 0 | 0 | 113.4 | ||
| 167 | D | 52.3 | Low | 54.2 | Low | 82 Ų | 82 | 123.6 Ų | 123.6 | 44% | 0.439 | 64% | 0.64 | S | S | . | * | trans | -120.8 | 38.2 | -169.3 | -128.8 | -16.2 | 0 | 0 | 0 | 115.7 | E169 K170 | D167-E169 PolarHBondContact O-N 2.93Å; D167-K170 WeakPolarHBondContact OD1-CD 3.47Å; D167-K170 WeakPolarHBondContact OD1-CG 3.27Å; D167-K170 IonicContact OD1-NZ 2.69Å; D167-K170 PolarHBondContact OD1-NZ 3.19Å; D167-K170 IonicContact OD2-NZ 2.75Å; D167-K170 PolarHBondContact OD2-NZ 3.37Å | ||
| 168 | E | 57.7 | Low | 56 | Low | 163 Ų | 163 | 122.8 Ų | 122.8 | 76% | 0.762 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -57.4 | -30.3 | 170 | -81.9 | -157.9 | 160.6 | 0 | 0 | 111.9 | S171 T172 | E168-S171 WeakPolarHBondContact O-CB 3.32Å; E168-S171 PolarHBondContact O-N 3.38Å; E168-S171 PolarHBondContact O-OG 2.88Å; E168-T172 PolarHBondContact O-N 3.29Å |
| 169 | E | 57.1 | Low | 57.9 | Low | 113 Ų | 113 | 118.5 Ų | 118.5 | 53% | 0.528 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -62 | -63 | -169.8 | -134.6 | 156.4 | -155.7 | 0 | 0 | 111 | D167 S171 T172 E173 K189 | D167-E169 PolarHBondContact O-N 2.93Å; E169-S171 PolarHBondContact O-N 3.42Å; E169-T172 PolarHBondContact O-N 3.48Å; E169-T172 PolarHBondContact O-OG1 3.07Å; E169-E173 PolarHBondContact O-N 3.43Å; E169-K189 IonicContact OE1-NZ 3.71Å |
| 170 | K | 57.5 | Low | 59.5 | Low | 138 Ų | 138 | 115.5 Ų | 115.5 | 60% | 0.6 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -52.9 | -30.8 | 175.7 | -57.8 | -175.7 | -170.9 | 83.4 | 0 | 113.2 | D167 R174 | D167-K170 WeakPolarHBondContact OD1-CD 3.47Å; D167-K170 WeakPolarHBondContact OD1-CG 3.27Å; D167-K170 IonicContact OD1-NZ 2.69Å; D167-K170 PolarHBondContact OD1-NZ 3.19Å; D167-K170 IonicContact OD2-NZ 2.75Å; D167-K170 PolarHBondContact OD2-NZ 3.37Å; K170-R174 WeakPolarHBondContact O-CB 3.2Å; K170-R174 PolarHBondContact O-N 3.46Å |
| 171 | S | 62.3 | Low | 61.4 | Low | 54 Ų | 54 | 119.8 Ų | 119.8 | 38% | 0.378 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -65.9 | -42 | 177.1 | 87.2 | 0 | 0 | 0 | 0 | 112.2 | E168 E169 R174 I175 | E168-S171 WeakPolarHBondContact O-CB 3.32Å; E168-S171 PolarHBondContact O-N 3.38Å; E168-S171 PolarHBondContact O-OG 2.88Å; E169-S171 PolarHBondContact O-N 3.42Å; S171-R174 PolarHBondContact O-N 3.27Å; S171-I175 VanDerWaalsContact O-CG1 3.3Å; S171-I175 WeakPolarHBondContact O-CG1 3.36Å; S171-I175 PolarHBondContact O-N 3.32Å |
| 172 | T | 67.6 | Low | 62.7 | Low | 58 Ų | 58 | 121 Ų | 121 | 36% | 0.356 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -72.2 | -41.7 | -179.1 | 55.3 | 0 | 0 | 0 | 0 | 112.2 | E168 E169 I175 R176 K189 | E168-T172 PolarHBondContact O-N 3.29Å; E169-T172 PolarHBondContact O-N 3.48Å; E169-T172 PolarHBondContact O-OG1 3.07Å; T172-I175 PolarHBondContact O-N 2.65Å; T172-R176 WeakPolarHBondContact O-CB 3.32Å; T172-R176 PolarHBondContact O-N 3.14Å; T172-K189 WeakPolarHBondContact OG1-CE 3.49Å; T172-K189 PolarHBondContact OG1-NZ 3.03Å |
| 173 | E | 71.4 | Confident | 64 | Low | 64 Ų | 64 | 119.2 Ų | 119.2 | 30% | 0.299 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -60.7 | -44.5 | 171.6 | -82.7 | 71.4 | -107.5 | 0 | 0 | 111.2 | E169 I175 R176 H177 K189 | E169-E173 PolarHBondContact O-N 3.43Å; E173-I175 PolarHBondContact O-N 3.27Å; E173-R176 WeakPolarHBondContact O-CB 3.43Å; E173-R176 PolarHBondContact O-N 3.38Å; E173-R176 VanDerWaalsContact O-N 3.15Å; E173-H177 PolarHBondContact O-N 3.38Å; E173-K189 IonicContact OE1-NZ 3.64Å; E173-K189 PolarHBondContact OE1-NZ 3.31Å; E173-K189 IonicContact OE2-NZ 3.99Å; E173-K189 PolarHBondContact OE2-NZ 3.46Å |
| 174 | R | 74.9 | Confident | 65.5 | Low | 206 Ų | 206 | 119.2 Ų | 119.2 | 78% | 0.777 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -65.2 | -35.9 | 179.6 | -164.1 | 176.1 | -164.5 | 176.6 | 8 | 113 | K170 S171 K178 | K170-R174 WeakPolarHBondContact O-CB 3.2Å; K170-R174 PolarHBondContact O-N 3.46Å; S171-R174 PolarHBondContact O-N 3.27Å; R174-K178 WeakPolarHBondContact O-CB 3.33Å; R174-K178 PolarHBondContact O-N 3.21Å; R174-K178 VanDerWaalsContact O-N 3.08Å |
| 175 | I | 75.9 | Confident | 67 | Low | 104 Ų | 104 | 124.1 Ų | 124.1 | 53% | 0.533 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -67.6 | -43.8 | 171.8 | -69.6 | 165.3 | 0 | 0 | 0 | 110.4 | S171 T172 E173 H177 K178 L179 | S171-I175 VanDerWaalsContact O-CG1 3.3Å; S171-I175 WeakPolarHBondContact O-CG1 3.36Å; S171-I175 PolarHBondContact O-N 3.32Å; T172-I175 PolarHBondContact O-N 2.65Å; E173-I175 PolarHBondContact O-N 3.27Å; I175-H177 PolarHBondContact O-N 3.34Å; I175-K178 PolarHBondContact O-N 3.2Å; I175-L179 HydrophobicContact CG2-CD1 3.96Å; I175-L179 HydrophobicContact CG2-CG 4.46Å; I175-L179 WeakPolarHBondContact O-CG 3.39Å; I175-L179 PolarHBondContact O-N 3.46Å |
| 176 | R | 76.1 | Confident | 68.4 | Low | 94 Ų | 94 | 118.9 Ų | 118.9 | 36% | 0.355 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -56.3 | -50.3 | 176.3 | -171 | -172.4 | -178.6 | -159.8 | 1.1 | 111.5 | T172 E173 K178 L179 Q180 T186 A187 | T172-R176 WeakPolarHBondContact O-CB 3.32Å; T172-R176 PolarHBondContact O-N 3.14Å; E173-R176 WeakPolarHBondContact O-CB 3.43Å; E173-R176 PolarHBondContact O-N 3.38Å; E173-R176 VanDerWaalsContact O-N 3.15Å; R176-K178 VanDerWaalsContact C-N 3.34Å; R176-K178 PolarHBondContact O-N 3.21Å; R176-L179 PolarHBondContact O-N 3.14Å; R176-Q180 WeakPolarHBondContact O-CB 3.36Å; R176-Q180 PolarHBondContact O-N 3.26Å; R176-T186 HydrophobicContact CG-CG2 4.19Å; R176-T186 WeakPolarHBondContact CG-OG1 3.36Å; R176-T186 PolarHBondContact NE-OG1 3.04Å; R176-T186 PolarHBondContact NH2-O 3.36Å; R176-A187 PolarHBondContact NE-O 3.37Å; R176-A187 PolarHBondContact NH2-O 2.74Å |
| 177 | H | 74.9 | Confident | 69.7 | Low | 122 Ų | 122 | 112.9 Ų | 112.9 | 57% | 0.565 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.8 | -36.9 | 180 | -129.6 | -60.7 | 0 | 0 | 0 | 112.2 | E173 I175 K181 | E173-H177 PolarHBondContact O-N 3.38Å; I175-H177 PolarHBondContact O-N 3.34Å; H177-K181 WeakPolarHBondContact O-CB 3.45Å; H177-K181 PolarHBondContact O-N 2.9Å |
| 178 | K | 81.8 | Confident | 70.3 | Confident | 135 Ų | 135 | 110.5 Ų | 110.5 | 59% | 0.587 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -66.8 | -44.3 | 175.1 | -169.5 | 174.5 | -178 | -176.9 | 0 | 111.6 | R174 I175 R176 K181 Y182 | R174-K178 WeakPolarHBondContact O-CB 3.33Å; R174-K178 PolarHBondContact O-N 3.21Å; R174-K178 VanDerWaalsContact O-N 3.08Å; I175-K178 PolarHBondContact O-N 3.2Å; R176-K178 VanDerWaalsContact C-N 3.34Å; R176-K178 PolarHBondContact O-N 3.21Å; K178-K181 WeakPolarHBondContact O-CB 3.41Å; K178-K181 PolarHBondContact O-N 3.25Å; K178-Y182 HydrophobicContact CG-CD2 4.33Å; K178-Y182 HydrophobicContact CG-CE2 3.93Å; K178-Y182 WeakPolarHBondContact O-CD2 3.5Å; K178-Y182 PolarHBondContact O-N 3.25Å |
| 179 | L | 77.9 | Confident | 70.4 | Confident | 72 Ų | 72 | 105.5 Ų | 105.5 | 38% | 0.377 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.1 | -42.8 | 175.9 | -74.1 | 171.2 | 0 | 0 | 0 | 111.8 | I175 R176 K181 Y182 G183 F184 T186 | I175-L179 HydrophobicContact CG2-CD1 3.96Å; I175-L179 HydrophobicContact CG2-CG 4.46Å; I175-L179 WeakPolarHBondContact O-CG 3.39Å; I175-L179 PolarHBondContact O-N 3.46Å; R176-L179 PolarHBondContact O-N 3.14Å; L179-K181 VanDerWaalsContact C-N 3.32Å; L179-K181 PolarHBondContact O-N 2.88Å; L179-Y182 CarbonylContact O-C 3.48Å; L179-Y182 PolarHBondContact O-N 3.04Å; L179-G183 PolarHBondContact O-N 2.94Å; L179-F184 HydrophobicContact CB-CB 4.13Å; L179-F184 HydrophobicContact CD2-CD2 4.11Å; L179-F184 HydrophobicContact CD2-CG 4.4Å; L179-F184 WeakPolarHBondContact O-CB 3.48Å; L179-F184 PolarHBondContact O-N 3.1Å; L179-F184 VanDerWaalsContact O-N 3.08Å; L179-T186 HydrophobicContact CB-CG2 3.9Å; L179-T186 HydrophobicContact CD1-CG2 4.34Å |
| 180 | Q | 82.1 | Confident | 70.6 | Confident | 107 Ų | 107 | 107.5 Ų | 107.5 | 50% | 0.5 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.8 | -37.4 | 175.3 | -174.3 | 173.5 | -10 | 0 | 0 | 112.4 | R176 Y182 G183 F184 | R176-Q180 WeakPolarHBondContact O-CB 3.36Å; R176-Q180 PolarHBondContact O-N 3.26Å; Q180-Y182 PolarHBondContact O-N 3.39Å; Q180-G183 PolarHBondContact O-N 2.78Å; Q180-F184 WeakPolarHBondContact CA-O 3.38Å |
| 181 | K | 75.3 | Confident | 70.6 | Confident | 175 Ų | 175 | 105 Ų | 105 | 76% | 0.761 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.9 | -25.1 | 173.6 | -175.7 | 173.2 | 179.5 | 175 | 0 | 113.5 | H177 K178 L179 | H177-K181 WeakPolarHBondContact O-CB 3.45Å; H177-K181 PolarHBondContact O-N 2.9Å; K178-K181 WeakPolarHBondContact O-CB 3.41Å; K178-K181 PolarHBondContact O-N 3.25Å; L179-K181 VanDerWaalsContact C-N 3.32Å; L179-K181 PolarHBondContact O-N 2.88Å |
| 182 | Y | 75.3 | Confident | 70.2 | Confident | 155 Ų | 155 | 109.3 Ų | 109.3 | 61% | 0.608 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99 | 18.8 | 172.6 | -63.1 | -72.2 | 0 | 0 | 0 | 113.2 | K178 L179 Q180 F184 | K178-Y182 HydrophobicContact CG-CD2 4.33Å; K178-Y182 HydrophobicContact CG-CE2 3.93Å; K178-Y182 WeakPolarHBondContact O-CD2 3.5Å; K178-Y182 PolarHBondContact O-N 3.25Å; L179-Y182 CarbonylContact O-C 3.48Å; L179-Y182 PolarHBondContact O-N 3.04Å; Q180-Y182 PolarHBondContact O-N 3.39Å; Y182-F184 PolarHBondContact O-N 3.03Å |
| 183 | G | 61.8 | Low | 69.3 | Low | 66 Ų | 66 | 112.8 Ų | 112.8 | 68% | 0.68 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.3 | 0.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | L179 Q180 R185 | L179-G183 PolarHBondContact O-N 2.94Å; Q180-G183 PolarHBondContact O-N 2.78Å; G183-R185 PolarHBondContact O-N 2.89Å |
| 184 | F | 71.6 | Confident | 68.3 | Low | 130 Ų | 130 | 113.4 Ų | 113.4 | 57% | 0.57 | 53% | 0.534 | S | S | * | . | trans | -75.2 | 123.1 | 176.8 | -65.1 | -88.3 | 0 | 0 | 0 | 110.9 | L179 Q180 Y182 T186 | L179-F184 HydrophobicContact CB-CB 4.13Å; L179-F184 HydrophobicContact CD2-CD2 4.11Å; L179-F184 HydrophobicContact CD2-CG 4.4Å; L179-F184 WeakPolarHBondContact O-CB 3.48Å; L179-F184 PolarHBondContact O-N 3.1Å; L179-F184 VanDerWaalsContact O-N 3.08Å; Q180-F184 WeakPolarHBondContact CA-O 3.38Å; Y182-F184 PolarHBondContact O-N 3.03Å; F184-T186 PolarHBondContact O-N 2.87Å | ||
| 185 | R | 70.9 | Confident | 67 | Low | 255 Ų | 255 | 109.2 Ų | 109.2 | 96% | 0.962 | 53% | 0.526 | S | S | * | . | trans | -68.9 | 120.5 | 172.5 | -75.9 | -178.4 | 158.5 | -143.5 | -7 | 110.6 | G183 | G183-R185 PolarHBondContact O-N 2.89Š| ||
| 186 | T | 71.6 | Confident | 65.5 | Low | 33 Ų | 33 | 108.2 Ų | 108.2 | 20% | 0.202 | 53% | 0.534 | C | S | . | . | trans | -118.6 | 123.7 | -179 | 55.1 | 0 | 0 | 0 | 0 | 111.9 | R176 L179 F184 | R176-T186 HydrophobicContact CG-CG2 4.19Å; R176-T186 WeakPolarHBondContact CG-OG1 3.36Å; R176-T186 PolarHBondContact NE-OG1 3.04Å; R176-T186 PolarHBondContact NH2-O 3.36Å; L179-T186 HydrophobicContact CB-CG2 3.9Å; L179-T186 HydrophobicContact CD1-CG2 4.34Å; F184-T186 PolarHBondContact O-N 2.87Å | ||
| 187 | A | 67.9 | Low | 64 | Low | 44 Ų | 44 | 109.5 Ų | 109.5 | 36% | 0.364 | 55% | 0.552 | S | S | . | * | trans | -66.5 | 165.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | R176 D191 Y192 | R176-A187 PolarHBondContact NE-O 3.37Å; R176-A187 PolarHBondContact NH2-O 2.74Å; A187-D191 HydrophobicContact CB-CB 4.28Å; A187-Y192 HydrophobicContact CB-CE2 3.9Å | ||
| 188 | A | 65.2 | Low | 62 | Low | 32 Ų | 32 | 110.5 Ų | 110.5 | 26% | 0.264 | 56% | 0.561 | S | S | . | * | trans | -73.9 | 153.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | E190 D191 Y192 | A188-E190 PolarHBondContact O-N 2.85Å; A188-E190 VanDerWaalsContact O-N 3.16Å; A188-D191 PolarHBondContact N-OD2 2.85Å; A188-D191 VanDerWaalsContact O-CB 3.31Å; A188-D191 WeakPolarHBondContact O-CB 3.43Å; A188-D191 PolarHBondContact O-N 3.16Å; A188-D191 VanDerWaalsContact O-N 3.08Å; A188-Y192 VanDerWaalsContact O-CD2 3.3Å; A188-Y192 WeakPolarHBondContact O-CD2 3.43Å | ||
| 189 | K | 59.8 | Low | 59.9 | Low | 59 Ų | 59 | 109.7 Ų | 109.7 | 26% | 0.257 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -57.7 | -31 | 178.7 | -167.2 | -177.6 | -144.7 | 142.2 | 0 | 113 | E169 T172 E173 Y192 K193 | E169-K189 IonicContact OE1-NZ 3.71Å; T172-K189 WeakPolarHBondContact OG1-CE 3.49Å; T172-K189 PolarHBondContact OG1-NZ 3.03Å; E173-K189 IonicContact OE1-NZ 3.64Å; E173-K189 PolarHBondContact OE1-NZ 3.31Å; E173-K189 IonicContact OE2-NZ 3.99Å; E173-K189 PolarHBondContact OE2-NZ 3.46Å; K189-Y192 PolarHBondContact O-N 3.22Å; K189-K193 PolarHBondContact O-N 3.18Å; K189-K193 VanDerWaalsContact O-N 3.08Å |
| 190 | E | 59.9 | Low | 58.2 | Low | 154 Ų | 154 | 113.1 Ų | 113.1 | 72% | 0.72 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -67 | -37.3 | 179 | -56.8 | -177.2 | 155 | 0 | 0 | 111.8 | A188 Y192 K193 S194 | A188-E190 PolarHBondContact O-N 2.85Å; A188-E190 VanDerWaalsContact O-N 3.16Å; E190-Y192 PolarHBondContact O-N 3.48Å; E190-K193 PolarHBondContact O-N 3.01Å; E190-K193 VanDerWaalsContact O-N 3.13Å; E190-S194 PolarHBondContact O-N 2.7Å |
| 191 | D | 58.8 | Low | 56 | Low | 87 Ų | 87 | 113.9 Ų | 113.9 | 47% | 0.465 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -57.7 | -40 | 172.9 | -60.2 | -50.6 | 0 | 0 | 0 | 110.7 | A187 A188 S194 | A187-D191 HydrophobicContact CB-CB 4.28Å; A188-D191 PolarHBondContact N-OD2 2.85Å; A188-D191 VanDerWaalsContact O-CB 3.31Å; A188-D191 WeakPolarHBondContact O-CB 3.43Å; A188-D191 PolarHBondContact O-N 3.16Å; A188-D191 VanDerWaalsContact O-N 3.08Å; D191-S194 WeakPolarHBondContact O-CB 3.31Å; D191-S194 PolarHBondContact O-N 3.5Å; D191-S194 PolarHBondContact O-OG 3.31Å |
| 192 | Y | 54.5 | Low | 54 | Low | 144 Ų | 144 | 110.1 Ų | 110.1 | 57% | 0.565 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -73.1 | -36.2 | 176.8 | -65.4 | -84.4 | 0 | 0 | 0 | 112.8 | A187 A188 K189 E190 S194 L195 | A187-Y192 HydrophobicContact CB-CE2 3.9Å; A188-Y192 VanDerWaalsContact O-CD2 3.3Å; A188-Y192 WeakPolarHBondContact O-CD2 3.43Å; K189-Y192 PolarHBondContact O-N 3.22Å; E190-Y192 PolarHBondContact O-N 3.48Å; Y192-S194 VanDerWaalsContact C-N 3.25Å; Y192-S194 PolarHBondContact O-N 3.15Å; Y192-L195 WeakPolarHBondContact O-CB 3.28Å; Y192-L195 PolarHBondContact O-N 2.85Å; Y192-L195 VanDerWaalsContact O-N 3.16Å |
| 193 | K | 47.1 | Very low | 51.9 | Low | 130 Ų | 130 | 107.8 Ų | 107.8 | 57% | 0.565 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -61 | -34.5 | 171.9 | -79.3 | 177.9 | 177.9 | 168.1 | 0 | 111.6 | K189 E190 L195 A196 | K189-K193 PolarHBondContact O-N 3.18Å; K189-K193 VanDerWaalsContact O-N 3.08Å; E190-K193 PolarHBondContact O-N 3.01Å; E190-K193 VanDerWaalsContact O-N 3.13Å; K193-L195 PolarHBondContact O-N 3.2Å; K193-A196 PolarHBondContact O-N 3.17Å; K193-A196 VanDerWaalsContact O-N 3.16Å |
| 194 | S | 50.4 | Low | 51.1 | Low | 77 Ų | 77 | 115.1 Ų | 115.1 | 54% | 0.538 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -61.3 | -27.5 | 175.9 | 85.3 | 0 | 0 | 0 | 0 | 113.9 | E190 D191 Y192 | E190-S194 PolarHBondContact O-N 2.7Å; D191-S194 WeakPolarHBondContact O-CB 3.31Å; D191-S194 PolarHBondContact O-N 3.5Å; D191-S194 PolarHBondContact O-OG 3.31Å; Y192-S194 VanDerWaalsContact C-N 3.25Å; Y192-S194 PolarHBondContact O-N 3.15Å |
| 195 | L | 47.6 | Very low | 49.5 | Very low | 118 Ų | 118 | 112.6 Ų | 112.6 | 62% | 0.618 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -79.3 | -18 | 179.3 | -61.1 | 174.2 | 0 | 0 | 0 | 113.4 | Y192 K193 | Y192-L195 WeakPolarHBondContact O-CB 3.28Å; Y192-L195 PolarHBondContact O-N 2.85Å; Y192-L195 VanDerWaalsContact O-N 3.16Å; K193-L195 PolarHBondContact O-N 3.2Å |
| 196 | A | 45.7 | Very low | 48.5 | Very low | 83 Ų | 83 | 104.5 Ų | 104.5 | 69% | 0.686 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -85.2 | -15.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | K193 | K193-A196 PolarHBondContact O-N 3.17Å; K193-A196 VanDerWaalsContact O-N 3.16Å |
| 197 | V | 43.5 | Very low | 47.1 | Very low | 121 Ų | 121 | 114.1 Ų | 114.1 | 73% | 0.733 | 67% | 0.665 | S | S | * | * | trans | -119 | 68 | -171.1 | -166.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 198 | L | 33.4 | Very low | 46 | Very low | 144 Ų | 144 | 123.6 Ų | 123.6 | 75% | 0.754 | 69% | 0.691 | S | S | * | * | trans | -129.1 | 130.3 | 163.2 | -80.4 | 175.7 | 0 | 0 | 0 | 110.9 | V200 | L198-V200 PolarHBondContact O-N 3.29Š| ||
| 199 | P | 37.6 | Very low | 45 | Very low | 117 Ų | 117 | 124.8 Ų | 124.8 | 76% | 0.76 | 71% | 0.706 | S | S | * | * | trans | -65 | 126 | -178.2 | -23.4 | 34.2 | 0 | 0 | 0 | 113.4 | V201 | P199-V201 PolarHBondContact O-N 3.25Š| ||
| 200 | V | 42.9 | Very low | 44.8 | Very low | 144 Ų | 144 | 131.2 Ų | 131.2 | 87% | 0.873 | 73% | 0.734 | S | S | * | * | trans | -75.9 | 90 | 173 | -178.6 | 0 | 0 | 0 | 0 | 110 | L198 | L198-V200 PolarHBondContact O-N 3.29Š| ||
| 201 | V | 34.7 | Very low | 43.9 | Very low | 124 Ų | 124 | 133.8 Ų | 133.8 | 75% | 0.752 | 74% | 0.737 | S | S | * | * | trans | -122.8 | 81.5 | 165.8 | -174.2 | 0 | 0 | 0 | 0 | 109.1 | P199 S203 | P199-V201 PolarHBondContact O-N 3.25Å; V201-S203 PolarHBondContact O-N 2.92Å | ||
| 202 | A | 33.7 | Very low | 43.2 | Very low | 95 Ų | 95 | 133.3 Ų | 133.3 | 79% | 0.785 | 75% | 0.745 | S | S | * | * | trans | -77.2 | 119.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 203 | S | 31.9 | Very low | 42.6 | Very low | 107 Ų | 107 | 133.6 Ų | 133.6 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | trans | -153.8 | 92.7 | 172.2 | -80.6 | 0 | 0 | 0 | 0 | 112.5 | V201 | V201-S203 PolarHBondContact O-N 2.92Š| ||
| 204 | K | 43.9 | Very low | 42.6 | Very low | 219 Ų | 219 | 137.6 Ų | 137.6 | 95% | 0.952 | 77% | 0.768 | S | S | * | * | S | Bend | trans | 44.4 | 91.2 | 167.4 | -70.3 | -171.4 | 172.4 | -173.3 | 0 | 117.2 | ||
| 205 | G | 37.8 | Very low | 42.5 | Very low | 77 Ų | 77 | 139.5 Ų | 139.5 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | trans | -177.8 | 122.3 | 162.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | R207 | G205-R207 PolarHBondContact O-N 2.86Š| ||
| 206 | G | 49.7 | Very low | 43.1 | Very low | 85 Ų | 85 | 137.7 Ų | 137.7 | 88% | 0.876 | 76% | 0.761 | S | S | * | * | trans | -78.6 | 119.1 | -169.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 207 | R | 42.8 | Very low | 43.5 | Very low | 236 Ų | 236 | 136.4 Ų | 136.4 | 89% | 0.891 | 75% | 0.747 | S | S | * | * | trans | -135.4 | 123.6 | 150.6 | -65.1 | -169 | -170.3 | -100.8 | 4.8 | 108.5 | G205 | G205-R207 PolarHBondContact O-N 2.86Š| ||
| 208 | R | 45.6 | Very low | 43.7 | Very low | 243 Ų | 243 | 136.7 Ų | 136.7 | 92% | 0.917 | 74% | 0.744 | S | S | * | * | trans | -64.3 | 148.1 | 168.4 | -63.7 | -173.5 | -174.9 | -168.1 | 3 | 108.3 | ||||
| 209 | G | 43.4 | Very low | 44.8 | Very low | 56 Ų | 56 | 133.1 Ų | 133.1 | 58% | 0.577 | 73% | 0.728 | S | S | * | * | trans | -59.5 | 141.6 | -165.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | W211 A212 | G209-W211 PolarHBondContact O-N 3.12Å; G209-A212 PolarHBondContact O-N 3.46Å; G209-A212 VanDerWaalsContact O-N 3.14Å | ||
| 210 | K | 55.3 | Low | 45.6 | Very low | 194 Ų | 194 | 130.1 Ų | 130.1 | 84% | 0.843 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | 9 | 179.1 | -66.8 | -172.3 | 177.2 | -176.2 | 0 | 115 | ||
| 211 | W | 42.3 | Very low | 46.4 | Very low | 209 Ų | 209 | 133.7 Ų | 133.7 | 79% | 0.792 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.6 | -21.7 | 174.4 | -65.8 | -7.4 | 0 | 0 | 0 | 112.9 | G209 N213 R214 | G209-W211 PolarHBondContact O-N 3.12Å; W211-N213 PolarHBondContact O-N 3.02Å; W211-N213 VanDerWaalsContact O-N 3.15Å; W211-R214 PolarHBondContact O-N 3.46Å |
| 212 | A | 42.5 | Very low | 48.3 | Very low | 76 Ų | 76 | 131.1 Ų | 131.1 | 63% | 0.628 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | -16.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | G209 | G209-A212 PolarHBondContact O-N 3.46Å; G209-A212 VanDerWaalsContact O-N 3.14Å |
| 213 | N | 43.5 | Very low | 50.2 | Low | 150 Ų | 150 | 130.9 Ų | 130.9 | 80% | 0.802 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.2 | 29.3 | -178.1 | -124.2 | 32.9 | 0 | 0 | 0 | 112.3 | W211 | W211-N213 PolarHBondContact O-N 3.02Å; W211-N213 VanDerWaalsContact O-N 3.15Å |
| 214 | R | 47.1 | Very low | 52.5 | Low | 214 Ų | 214 | 131 Ų | 131 | 81% | 0.808 | 67% | 0.668 | S | S | * | * | trans | -84.2 | -18 | 164.9 | -80.9 | -77.3 | -177 | 148.7 | -0.1 | 112.5 | W211 | W211-R214 PolarHBondContact O-N 3.46Š| ||
| 215 | F | 47.5 | Very low | 54 | Low | 117 Ų | 117 | 123.9 Ų | 123.9 | 51% | 0.513 | 64% | 0.642 | S | S | . | * | S | Bend | trans | -69.6 | 126.1 | 162.5 | -61.3 | -71.5 | 0 | 0 | 0 | 108.9 | T219 | F215-T219 WeakPolarHBondContact CA-OG1 3.15Å; F215-T219 WeakPolarHBondContact CB-OG1 3.42Å |
| 216 | T | 59.6 | Low | 55.8 | Low | 81 Ų | 81 | 122.5 Ų | 122.5 | 50% | 0.497 | 62% | 0.615 | S | S | . | * | trans | -64.2 | 163.3 | 167.1 | 63.5 | 0 | 0 | 0 | 0 | 109.6 | L218 T219 | T216-L218 PolarHBondContact O-N 2.85Å; T216-L218 PolarHBondContact OG1-N 2.87Å; T216-T219 PolarHBondContact N-OG1 3.33Å; T216-T219 PolarHBondContact O-N 2.9Å; T216-T219 PolarHBondContact O-OG1 3.49Å; T216-T219 VanDerWaalsContact O-OG1 3.05Å; T216-T219 PolarHBondContact OG1-OG1 2.96Å; T216-T219 VanDerWaalsContact OG1-OG1 3.04Å | ||
| 217 | S | 53.8 | Low | 57.3 | Low | 56 Ų | 56 | 123.9 Ų | 123.9 | 39% | 0.392 | 60% | 0.599 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.3 | 1.8 | 170.9 | 49 | 0 | 0 | 0 | 0 | 114.2 | Q226 K233 | S217-Q226 WeakPolarHBondContact O-CG 3.32Å; S217-Q226 PolarHBondContact O-OE1 2.67Å; S217-Q226 VanDerWaalsContact O-OE1 3.06Å; S217-K233 PolarHBondContact OG-NZ 2.99Å |
| 218 | L | 49.5 | Very low | 59.4 | Low | 127 Ų | 127 | 119.8 Ų | 119.8 | 67% | 0.665 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.1 | 2.8 | 170.8 | -63.4 | 172.3 | 0 | 0 | 0 | 112.9 | T216 Q226 | T216-L218 PolarHBondContact O-N 2.85Å; T216-L218 PolarHBondContact OG1-N 2.87Å; L218-Q226 VanDerWaalsContact CA-OE1 3.32Å; L218-Q226 PolarHBondContact O-OE1 3.24Å |
| 219 | T | 55.3 | Low | 61 | Low | 68 Ų | 68 | 112.5 Ų | 112.5 | 42% | 0.417 | 56% | 0.562 | S | S | . | * | trans | -128.3 | 26.6 | -178.8 | 49.5 | 0 | 0 | 0 | 0 | 112.2 | F215 T216 R221 | F215-T219 WeakPolarHBondContact CA-OG1 3.15Å; F215-T219 WeakPolarHBondContact CB-OG1 3.42Å; T216-T219 PolarHBondContact N-OG1 3.33Å; T216-T219 PolarHBondContact O-N 2.9Å; T216-T219 PolarHBondContact O-OG1 3.49Å; T216-T219 VanDerWaalsContact O-OG1 3.05Å; T216-T219 PolarHBondContact OG1-OG1 2.96Å; T216-T219 VanDerWaalsContact OG1-OG1 3.04Å; T219-R221 PolarHBondContact O-N 3.08Å | ||
| 220 | L | 55.7 | Low | 62.9 | Low | 55 Ų | 55 | 114.6 Ų | 114.6 | 29% | 0.288 | 56% | 0.56 | S | S | . | * | trans | -75.2 | 120.9 | 165.8 | -72 | 167.9 | 0 | 0 | 0 | 108.1 | N222 Q226 K229 | L220-N222 PolarHBondContact O-N 2.75Å; L220-Q226 HydrophobicContact CB-CB 4.15Å; L220-Q226 HydrophobicContact CD1-CB 4.35Å; L220-K229 HydrophobicContact CD1-CD 3.88Å | ||
| 221 | R | 58.7 | Low | 64.4 | Low | 219 Ų | 219 | 109.5 Ų | 109.5 | 83% | 0.826 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -64 | -1.9 | -174.9 | -65.5 | -175.6 | 178 | -170.6 | -3.6 | 115.5 | T219 | T219-R221 PolarHBondContact O-N 3.08Š|
| 222 | N | 73.8 | Confident | 66.6 | Low | 70 Ų | 70 | 105.8 Ų | 105.8 | 37% | 0.374 | 53% | 0.53 | S | S | . | . | trans | -123.5 | 122.7 | 176.7 | 172.1 | -69.5 | 0 | 0 | 0 | 108.3 | L220 D224 V225 Q226 | L220-N222 PolarHBondContact O-N 2.75Å; N222-D224 PolarHBondContact OD1-N 3.01Å; N222-D224 VanDerWaalsContact OD1-N 3.15Å; N222-V225 HydrophobicContact CB-CB 4.42Å; N222-V225 HydrophobicContact CB-CG2 4.49Å; N222-V225 WeakPolarHBondContact OD1-CB 3.4Å; N222-V225 WeakPolarHBondContact OD1-CG2 3.31Å; N222-V225 PolarHBondContact OD1-N 3.06Å; N222-Q226 PolarHBondContact O-N 3.32Å | ||
| 223 | P | 75.4 | Confident | 68.7 | Low | 89 Ų | 89 | 107.6 Ų | 107.6 | 58% | 0.578 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -69.7 | -39 | -172.8 | 27.1 | -33.2 | 0 | 0 | 0 | 112.6 | V225 Q226 Q227 | P223-V225 VanDerWaalsContact C-N 3.34Å; P223-V225 PolarHBondContact O-N 2.85Å; P223-Q226 CarbonylContact O-C 3.55Å; P223-Q226 WeakPolarHBondContact O-CA 3.44Å; P223-Q226 VanDerWaalsContact O-CB 3.3Å; P223-Q226 WeakPolarHBondContact O-CB 3.42Å; P223-Q226 PolarHBondContact O-N 3.1Å; P223-Q227 PolarHBondContact O-N 3.08Å |
| 224 | D | 78.7 | Confident | 70.8 | Confident | 110 Ų | 110 | 103.6 Ų | 103.6 | 59% | 0.588 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.6 | -41.6 | -177.5 | -31.2 | -39.2 | 0 | 0 | 0 | 111.1 | N222 Q226 K228 | N222-D224 PolarHBondContact OD1-N 3.01Å; N222-D224 VanDerWaalsContact OD1-N 3.15Å; D224-Q226 VanDerWaalsContact C-N 3.28Å; D224-Q226 PolarHBondContact O-N 3.01Å; D224-K228 VanDerWaalsContact O-CB 3.3Å; D224-K228 WeakPolarHBondContact O-CB 3.34Å; D224-K228 PolarHBondContact O-N 3.33Å |
| 225 | V | 76.7 | Confident | 72.7 | Confident | 69 Ų | 69 | 97.4 Ų | 97.4 | 42% | 0.418 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -72 | -23.1 | 175.5 | 177.2 | 0 | 0 | 0 | 0 | 111.8 | N222 P223 K229 | N222-V225 HydrophobicContact CB-CB 4.42Å; N222-V225 HydrophobicContact CB-CG2 4.49Å; N222-V225 WeakPolarHBondContact OD1-CB 3.4Å; N222-V225 WeakPolarHBondContact OD1-CG2 3.31Å; N222-V225 PolarHBondContact OD1-N 3.06Å; P223-V225 VanDerWaalsContact C-N 3.34Å; P223-V225 PolarHBondContact O-N 2.85Å; V225-K229 HydrophobicContact CG1-CD 4.47Å; V225-K229 WeakPolarHBondContact O-CB 3.41Å; V225-K229 WeakPolarHBondContact O-CD 3.47Å; V225-K229 WeakPolarHBondContact O-CG 3.48Å |
| 226 | Q | 74.7 | Confident | 74.5 | Confident | 48 Ų | 48 | 94.8 Ų | 94.8 | 22% | 0.224 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -76.1 | -50.4 | 171.5 | 176 | 158.5 | -57.2 | 0 | 0 | 111.3 | S217 L218 L220 N222 P223 D224 K229 L230 | S217-Q226 WeakPolarHBondContact O-CG 3.32Å; S217-Q226 PolarHBondContact O-OE1 2.67Å; S217-Q226 VanDerWaalsContact O-OE1 3.06Å; L218-Q226 VanDerWaalsContact CA-OE1 3.32Å; L218-Q226 PolarHBondContact O-OE1 3.24Å; L220-Q226 HydrophobicContact CB-CB 4.15Å; L220-Q226 HydrophobicContact CD1-CB 4.35Å; N222-Q226 PolarHBondContact O-N 3.32Å; P223-Q226 CarbonylContact O-C 3.55Å; P223-Q226 WeakPolarHBondContact O-CA 3.44Å; P223-Q226 VanDerWaalsContact O-CB 3.3Å; P223-Q226 WeakPolarHBondContact O-CB 3.42Å; P223-Q226 PolarHBondContact O-N 3.1Å; D224-Q226 VanDerWaalsContact C-N 3.28Å; D224-Q226 PolarHBondContact O-N 3.01Å; Q226-K229 PolarHBondContact O-N 3.27Å; Q226-L230 PolarHBondContact O-N 3.02Å |
| 227 | Q | 81.9 | Confident | 75.5 | Confident | 115 Ų | 115 | 95.7 Ų | 95.7 | 54% | 0.537 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.7 | -50.8 | 178.3 | 173.6 | 167.6 | -13 | 0 | 0 | 110.8 | P223 K229 L230 E231 | P223-Q227 PolarHBondContact O-N 3.08Å; Q227-K229 PolarHBondContact O-N 3.02Å; Q227-K229 VanDerWaalsContact O-N 3.13Å; Q227-L230 CarbonylContact O-C 3.58Å; Q227-L230 WeakPolarHBondContact O-CA 3.32Å; Q227-L230 WeakPolarHBondContact O-CB 3.26Å; Q227-L230 PolarHBondContact O-N 3.21Å; Q227-E231 HydrophobicContact CG-CG 4.3Å; Q227-E231 WeakPolarHBondContact CG-OE1 3.32Å; Q227-E231 PolarHBondContact NE2-OE1 2.91Å; Q227-E231 WeakPolarHBondContact O-CG 3.46Å; Q227-E231 PolarHBondContact O-N 3.37Å |
| 228 | K | 85.6 | Confident | 76.7 | Confident | 150 Ų | 150 | 98 Ų | 98 | 65% | 0.652 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -58.3 | -31.2 | 178.3 | -174.7 | 163.8 | -175.1 | 162.5 | 0 | 113.6 | D224 E231 E232 | D224-K228 VanDerWaalsContact O-CB 3.3Å; D224-K228 WeakPolarHBondContact O-CB 3.34Å; D224-K228 PolarHBondContact O-N 3.33Å; K228-E231 WeakPolarHBondContact CA-OE2 3.47Å; K228-E232 WeakPolarHBondContact O-CB 3.44Å; K228-E232 PolarHBondContact O-N 2.89Å |
| 229 | K | 81 | Confident | 77.8 | Confident | 90 Ų | 90 | 93.6 Ų | 93.6 | 39% | 0.391 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -83.2 | -16.7 | 174.7 | -78.2 | 179.4 | 179.4 | 173.8 | 0 | 114.3 | L220 V225 Q226 Q227 K233 | L220-K229 HydrophobicContact CD1-CD 3.88Å; V225-K229 HydrophobicContact CG1-CD 4.47Å; V225-K229 WeakPolarHBondContact O-CB 3.41Å; V225-K229 WeakPolarHBondContact O-CD 3.47Å; V225-K229 WeakPolarHBondContact O-CG 3.48Å; Q226-K229 PolarHBondContact O-N 3.27Å; Q227-K229 PolarHBondContact O-N 3.02Å; Q227-K229 VanDerWaalsContact O-N 3.13Å; K229-K233 WeakPolarHBondContact O-CD 3.49Å; K229-K233 VanDerWaalsContact O-CG 3.26Å; K229-K233 WeakPolarHBondContact O-CG 3.31Å |
| 230 | L | 82.3 | Confident | 78.4 | Confident | 99 Ų | 99 | 96.8 Ų | 96.8 | 52% | 0.518 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -80.2 | -47.5 | 169.2 | -175 | 140.8 | 0 | 0 | 0 | 108.8 | Q226 Q227 K233 V234 | Q226-L230 PolarHBondContact O-N 3.02Å; Q227-L230 CarbonylContact O-C 3.58Å; Q227-L230 WeakPolarHBondContact O-CA 3.32Å; Q227-L230 WeakPolarHBondContact O-CB 3.26Å; Q227-L230 PolarHBondContact O-N 3.21Å; L230-K233 CarbonylContact O-C 3.59Å; L230-K233 WeakPolarHBondContact O-CB 3.32Å; L230-K233 PolarHBondContact O-N 2.92Å; L230-K233 VanDerWaalsContact O-N 3.15Å; L230-V234 HydrophobicContact CD2-CG2 4.1Å; L230-V234 WeakPolarHBondContact O-CB 3.39Å; L230-V234 VanDerWaalsContact O-CG2 3.31Å; L230-V234 WeakPolarHBondContact O-CG2 3.39Å; L230-V234 PolarHBondContact O-N 2.62Å |
| 231 | E | 86.2 | Confident | 78.6 | Confident | 87 Ų | 87 | 101 Ų | 101 | 41% | 0.407 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -55.3 | -52.6 | 171.2 | -68.1 | 163.7 | 175.5 | 0 | 0 | 111.5 | Q227 K228 K233 V234 S235 | Q227-E231 HydrophobicContact CG-CG 4.3Å; Q227-E231 WeakPolarHBondContact CG-OE1 3.32Å; Q227-E231 PolarHBondContact NE2-OE1 2.91Å; Q227-E231 WeakPolarHBondContact O-CG 3.46Å; Q227-E231 PolarHBondContact O-N 3.37Å; K228-E231 WeakPolarHBondContact CA-OE2 3.47Å; E231-K233 PolarHBondContact O-N 3.48Å; E231-K233 VanDerWaalsContact O-N 3.15Å; E231-V234 PolarHBondContact O-N 3.31Å; E231-S235 PolarHBondContact O-N 3.34Å; E231-S235 PolarHBondContact O-OG 3.49Å |
| 232 | E | 89.8 | Confident | 78.4 | Confident | 131 Ų | 131 | 96.3 Ų | 96.3 | 61% | 0.612 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -53.9 | -36.4 | 175.9 | -179.3 | -178.6 | -158 | 0 | 0 | 112.7 | K228 A236 | K228-E232 WeakPolarHBondContact O-CB 3.44Å; K228-E232 PolarHBondContact O-N 2.89Å; E232-A236 WeakPolarHBondContact O-CB 3.39Å; E232-A236 PolarHBondContact O-N 3.49Å; E232-A236 VanDerWaalsContact O-N 3.07Å |
| 233 | K | 86.8 | Confident | 77.3 | Confident | 114 Ų | 114 | 103.4 Ų | 103.4 | 50% | 0.496 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -77.9 | -37.1 | 175.8 | -77.9 | 177.2 | 177.5 | -173.3 | 0 | 113.3 | S217 K229 L230 E231 A236 L237 | S217-K233 PolarHBondContact OG-NZ 2.99Å; K229-K233 WeakPolarHBondContact O-CD 3.49Å; K229-K233 VanDerWaalsContact O-CG 3.26Å; K229-K233 WeakPolarHBondContact O-CG 3.31Å; L230-K233 CarbonylContact O-C 3.59Å; L230-K233 WeakPolarHBondContact O-CB 3.32Å; L230-K233 PolarHBondContact O-N 2.92Å; L230-K233 VanDerWaalsContact O-N 3.15Å; E231-K233 PolarHBondContact O-N 3.48Å; E231-K233 VanDerWaalsContact O-N 3.15Å; K233-A236 PolarHBondContact O-N 3.21Å; K233-L237 WeakPolarHBondContact O-CB 3.39Å; K233-L237 WeakPolarHBondContact O-CG 3.39Å; K233-L237 PolarHBondContact O-N 3.47Å |
| 234 | V | 87.7 | Confident | 76.1 | Confident | 67 Ų | 67 | 102 Ų | 102 | 41% | 0.406 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.9 | -50.1 | 176.1 | 166.8 | 0 | 0 | 0 | 0 | 108.9 | L230 E231 A236 L237 L238 | L230-V234 HydrophobicContact CD2-CG2 4.1Å; L230-V234 WeakPolarHBondContact O-CB 3.39Å; L230-V234 VanDerWaalsContact O-CG2 3.31Å; L230-V234 WeakPolarHBondContact O-CG2 3.39Å; L230-V234 PolarHBondContact O-N 2.62Å; E231-V234 PolarHBondContact O-N 3.31Å; V234-A236 VanDerWaalsContact C-N 3.28Å; V234-A236 PolarHBondContact O-N 3.23Å; V234-L237 PolarHBondContact O-N 3.06Å; V234-L238 HydrophobicContact CG1-CD1 3.63Å; V234-L238 WeakPolarHBondContact O-CD1 3.31Å; V234-L238 PolarHBondContact O-N 2.9Å |
| 235 | S | 86.9 | Confident | 74.7 | Confident | 83 Ų | 83 | 105.2 Ų | 105.2 | 58% | 0.58 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -60 | -35.3 | 173.4 | -54.8 | 0 | 0 | 0 | 0 | 112.9 | E231 G239 | E231-S235 PolarHBondContact O-N 3.34Å; E231-S235 PolarHBondContact O-OG 3.49Å; S235-G239 PolarHBondContact O-N 3.43Å |
| 236 | A | 84.8 | Confident | 72.9 | Confident | 62 Ų | 62 | 108.7 Ų | 108.7 | 51% | 0.512 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -70.7 | -31 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | E232 K233 V234 Q240 | E232-A236 WeakPolarHBondContact O-CB 3.39Å; E232-A236 PolarHBondContact O-N 3.49Å; E232-A236 VanDerWaalsContact O-N 3.07Å; K233-A236 PolarHBondContact O-N 3.21Å; V234-A236 VanDerWaalsContact C-N 3.28Å; V234-A236 PolarHBondContact O-N 3.23Å; A236-Q240 WeakPolarHBondContact O-CB 3.45Å; A236-Q240 PolarHBondContact O-N 3.34Å; A236-Q240 VanDerWaalsContact O-N 3.1Å |
| 237 | L | 79.7 | Confident | 71.3 | Confident | 101 Ų | 101 | 109.7 Ų | 109.7 | 53% | 0.529 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -75.6 | -47.6 | 174 | -75.2 | 169.5 | 0 | 0 | 0 | 111.4 | K233 V234 G239 Q240 E241 | K233-L237 WeakPolarHBondContact O-CB 3.39Å; K233-L237 WeakPolarHBondContact O-CG 3.39Å; K233-L237 PolarHBondContact O-N 3.47Å; V234-L237 PolarHBondContact O-N 3.06Å; L237-G239 VanDerWaalsContact C-N 3.28Å; L237-G239 PolarHBondContact O-N 3.21Å; L237-Q240 CarbonylContact O-C 3.38Å; L237-Q240 WeakPolarHBondContact O-CA 3.43Å; L237-Q240 WeakPolarHBondContact O-CB 3.25Å; L237-Q240 PolarHBondContact O-N 3.14Å; L237-E241 PolarHBondContact O-N 2.82Å |
| 238 | L | 79.1 | Confident | 69.2 | Low | 104 Ų | 104 | 110.3 Ų | 110.3 | 55% | 0.545 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -58.5 | -41.7 | 172.6 | -85 | 84.5 | 0 | 0 | 0 | 111 | V234 Q240 E241 M242 | V234-L238 HydrophobicContact CG1-CD1 3.63Å; V234-L238 WeakPolarHBondContact O-CD1 3.31Å; V234-L238 PolarHBondContact O-N 2.9Å; L238-Q240 PolarHBondContact O-N 3.27Å; L238-E241 PolarHBondContact O-N 2.93Å; L238-M242 VanDerWaalsContact O-CB 3.23Å; L238-M242 WeakPolarHBondContact O-CB 3.36Å; L238-M242 PolarHBondContact O-N 2.83Å |
| 239 | G | 72.4 | Confident | 67.3 | Low | 34 Ų | 34 | 107 Ų | 107 | 35% | 0.351 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -69.7 | -13.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | S235 L237 | S235-G239 PolarHBondContact O-N 3.43Å; L237-G239 VanDerWaalsContact C-N 3.28Å; L237-G239 PolarHBondContact O-N 3.21Å |
| 240 | Q | 69.8 | Low | 65.8 | Low | 136 Ų | 136 | 110.7 Ų | 110.7 | 64% | 0.636 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -89 | -38.8 | 170.9 | -177.6 | 173 | -13.9 | 0 | 0 | 111.2 | A236 L237 L238 R243 G244 | A236-Q240 WeakPolarHBondContact O-CB 3.45Å; A236-Q240 PolarHBondContact O-N 3.34Å; A236-Q240 VanDerWaalsContact O-N 3.1Å; L237-Q240 CarbonylContact O-C 3.38Å; L237-Q240 WeakPolarHBondContact O-CA 3.43Å; L237-Q240 WeakPolarHBondContact O-CB 3.25Å; L237-Q240 PolarHBondContact O-N 3.14Å; L238-Q240 PolarHBondContact O-N 3.27Å; Q240-R243 PolarHBondContact O-N 3.29Å; Q240-G244 PolarHBondContact O-N 2.8Å; Q240-G244 VanDerWaalsContact O-N 3.1Å |
| 241 | E | 58.9 | Low | 63.9 | Low | 144 Ų | 144 | 111.9 Ų | 111.9 | 67% | 0.673 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -68.7 | -40.8 | 173.8 | -69.7 | 179.1 | 141.5 | 0 | 0 | 111.7 | L237 L238 R243 G244 K245 | L237-E241 PolarHBondContact O-N 2.82Å; L238-E241 PolarHBondContact O-N 2.93Å; E241-R243 VanDerWaalsContact C-N 3.28Å; E241-R243 PolarHBondContact O-N 2.88Å; E241-G244 VanDerWaalsContact O-CA 3.3Å; E241-G244 WeakPolarHBondContact O-CA 3.27Å; E241-G244 PolarHBondContact O-N 2.97Å; E241-K245 PolarHBondContact O-N 3.28Å |
| 242 | M | 54 | Low | 61.7 | Low | 120 Ų | 120 | 112.6 Ų | 112.6 | 59% | 0.591 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.3 | -32 | 174.6 | -168.7 | 174.7 | -173.4 | 0 | 0 | 112.4 | L238 G244 K245 E246 | L238-M242 VanDerWaalsContact O-CB 3.23Å; L238-M242 WeakPolarHBondContact O-CB 3.36Å; L238-M242 PolarHBondContact O-N 2.83Å; M242-G244 VanDerWaalsContact C-N 3.31Å; M242-K245 CarbonylContact O-C 3.55Å; M242-E246 PolarHBondContact O-N 2.97Å |
| 243 | R | 50.2 | Low | 59.4 | Low | 218 Ų | 218 | 111.2 Ų | 111.2 | 82% | 0.823 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | -1.7 | 168.4 | -71.7 | -159.3 | -56.8 | -152.8 | -0.8 | 114.5 | Q240 E241 | Q240-R243 PolarHBondContact O-N 3.29Å; E241-R243 VanDerWaalsContact C-N 3.28Å; E241-R243 PolarHBondContact O-N 2.88Å |
| 244 | G | 51.5 | Low | 57.4 | Low | 59 Ų | 59 | 113.2 Ų | 113.2 | 61% | 0.608 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | -35.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112 | Q240 E241 M242 | Q240-G244 PolarHBondContact O-N 2.8Å; Q240-G244 VanDerWaalsContact O-N 3.1Å; E241-G244 VanDerWaalsContact O-CA 3.3Å; E241-G244 WeakPolarHBondContact O-CA 3.27Å; E241-G244 PolarHBondContact O-N 2.97Å; M242-G244 VanDerWaalsContact C-N 3.31Å |
| 245 | K | 49.8 | Very low | 55.2 | Low | 178 Ų | 178 | 115.8 Ų | 115.8 | 77% | 0.774 | 65% | 0.649 | S | S | * | * | trans | -148.8 | 105.3 | 166.9 | -66.8 | -169.9 | 178.6 | -170.8 | 0 | 110.4 | E241 M242 | E241-K245 PolarHBondContact O-N 3.28Å; M242-K245 CarbonylContact O-C 3.55Å | ||
| 246 | E | 38.8 | Very low | 53.6 | Low | 142 Ų | 142 | 116.3 Ų | 116.3 | 66% | 0.664 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 120.9 | 142.7 | -67.1 | -154.8 | 162.6 | 0 | 0 | 106 | M242 N248 | M242-E246 PolarHBondContact O-N 2.97Å; E246-N248 PolarHBondContact O-N 3.24Å |
| 247 | P | 41 | Very low | 52.3 | Low | 70 Ų | 70 | 123 Ų | 123 | 46% | 0.455 | 66% | 0.664 | S | S | . | * | P | Polyproline II helix | trans | -64.3 | 133.5 | 166.6 | 27.3 | -31 | 0 | 0 | 0 | 107.9 | D251 | P247-D251 HydrophobicContact CB-CB 3.92Š|
| 248 | N | 37.7 | Very low | 51.5 | Low | 128 Ų | 128 | 124.2 Ų | 124.2 | 68% | 0.684 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 145.1 | 158.3 | -74.9 | -32.3 | 0 | 0 | 0 | 107.1 | E246 E250 D251 | E246-N248 PolarHBondContact O-N 3.24Å; N248-E250 PolarHBondContact O-N 3.45Å; N248-D251 PolarHBondContact O-N 3.3Å |
| 249 | G | 44.7 | Very low | 50.9 | Low | 80 Ų | 80 | 121.4 Ų | 121.4 | 83% | 0.825 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | 5.9 | -168.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 250 | E | 49.2 | Very low | 50.7 | Low | 168 Ų | 168 | 127 Ų | 127 | 79% | 0.785 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.2 | -29.5 | 179.9 | -58.5 | 177.1 | 159.6 | 0 | 0 | 111.4 | N248 C252 C253 | N248-E250 PolarHBondContact O-N 3.45Å; E250-C252 VanDerWaalsContact C-N 3.29Å; E250-C252 PolarHBondContact O-N 3.22Å; E250-C253 PolarHBondContact O-N 3.42Å |
| 251 | D | 43.4 | Very low | 51.2 | Low | 123 Ų | 123 | 124.4 Ų | 124.4 | 66% | 0.658 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | -15.7 | -176.5 | -75.7 | -33.8 | 0 | 0 | 0 | 114.1 | P247 N248 C253 | P247-D251 HydrophobicContact CB-CB 3.92Å; N248-D251 PolarHBondContact O-N 3.3Å; D251-C253 PolarHBondContact O-N 3.23Å |
| 252 | C | 40.6 | Very low | 51.6 | Low | 103 Ų | 103 | 120.9 Ų | 120.9 | 70% | 0.696 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | -6.2 | 176.3 | -70.8 | 0 | 0 | 0 | 0 | 113.4 | E250 | E250-C252 VanDerWaalsContact C-N 3.29Å; E250-C252 PolarHBondContact O-N 3.22Å |
| 253 | C | 40.1 | Very low | 52.3 | Low | 102 Ų | 102 | 118.1 Ų | 118.1 | 69% | 0.689 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -108.4 | 97.6 | 173.3 | -77.1 | 0 | 0 | 0 | 0 | 110.9 | E250 D251 T255 | E250-C253 PolarHBondContact O-N 3.42Å; D251-C253 PolarHBondContact O-N 3.23Å; C253-T255 PolarHBondContact O-N 2.78Å |
| 254 | L | 44.6 | Very low | 52.9 | Low | 155 Ų | 155 | 112.2 Ų | 112.2 | 81% | 0.812 | 65% | 0.653 | S | S | * | * | trans | -51.2 | 113.7 | 158.7 | -73.5 | 173.8 | 0 | 0 | 0 | 108.4 | ||||
| 255 | T | 43.2 | Very low | 53.7 | Low | 122 Ų | 122 | 115.2 Ų | 115.2 | 75% | 0.748 | 65% | 0.649 | S | S | * | * | trans | -59.2 | 122.7 | 179.7 | 46.8 | 0 | 0 | 0 | 0 | 108.5 | C253 Y257 | C253-T255 PolarHBondContact O-N 2.78Å; T255-Y257 PolarHBondContact O-N 3.38Å | ||
| 256 | P | 51.6 | Low | 54.5 | Low | 93 Ų | 93 | 114.7 Ų | 114.7 | 60% | 0.604 | 65% | 0.65 | S | S | * | * | trans | -68.1 | 115 | -169.4 | 25.4 | -33.7 | 0 | 0 | 0 | 109.5 | T258 | P256-T258 PolarHBondContact O-N 3.17Š| ||
| 257 | Y | 58.9 | Low | 55.6 | Low | 204 Ų | 204 | 114.7 Ų | 114.7 | 80% | 0.8 | 65% | 0.653 | S | S | * | * | trans | -41.7 | 124.2 | -179.2 | -68.9 | -80 | 0 | 0 | 0 | 111.4 | T255 V259 R268 | T255-Y257 PolarHBondContact O-N 3.38Å; Y257-V259 PolarHBondContact O-N 2.91Å; Y257-R268 PolarHBondContact O-NH2 3.3Å | ||
| 258 | T | 62.3 | Low | 56.6 | Low | 125 Ų | 125 | 117.8 Ų | 117.8 | 77% | 0.767 | 66% | 0.656 | S | S | * | * | trans | -73.5 | 91.1 | 179.5 | 36.5 | 0 | 0 | 0 | 0 | 109 | P256 I260 | P256-T258 PolarHBondContact O-N 3.17Å; T258-I260 VanDerWaalsContact O-CG1 3.24Å; T258-I260 WeakPolarHBondContact O-CG1 3.43Å; T258-I260 PolarHBondContact O-N 3.03Å | ||
| 259 | V | 66.4 | Low | 57.5 | Low | 46 Ų | 46 | 114.6 Ų | 114.6 | 28% | 0.279 | 65% | 0.647 | S | S | . | * | trans | -60 | 110.4 | 177.7 | -177 | 0 | 0 | 0 | 0 | 109.4 | Y257 L264 K265 | Y257-V259 PolarHBondContact O-N 2.91Å; V259-L264 HydrophobicContact CG1-CB 3.29Å; V259-K265 HydrophobicContact CB-CG 4.26Å; V259-K265 HydrophobicContact CG1-CG 4Å; V259-K265 WeakPolarHBondContact O-CE 3.48Å | ||
| 260 | I | 68.4 | Low | 58 | Low | 150 Ų | 150 | 119 Ų | 119 | 77% | 0.769 | 65% | 0.646 | S | S | * | * | trans | -80.5 | -47.5 | -171.4 | -52.2 | -175.8 | 0 | 0 | 0 | 110.7 | T258 K265 | T258-I260 VanDerWaalsContact O-CG1 3.24Å; T258-I260 WeakPolarHBondContact O-CG1 3.43Å; T258-I260 PolarHBondContact O-N 3.03Å; I260-K265 PolarHBondContact O-NZ 3.36Å | ||
| 261 | T | 79 | Confident | 58.2 | Low | 82 Ų | 82 | 114 Ų | 114 | 50% | 0.503 | 64% | 0.64 | S | S | . | * | S | Bend | trans | -76.1 | 142.7 | -175.5 | 42.2 | 0 | 0 | 0 | 0 | 113.2 | L264 K265 | T261-L264 PolarHBondContact O-N 3.26Å; T261-L264 WeakPolarHBondContact OG1-CD1 3.19Å; T261-K265 PolarHBondContact O-N 3.44Å |
| 262 | A | 68.7 | Low | 58.7 | Low | 70 Ų | 70 | 118 Ų | 118 | 58% | 0.579 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -63.6 | -48.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L264 K265 E266 | A262-L264 PolarHBondContact O-N 3.49Å; A262-K265 WeakPolarHBondContact O-CA 3.26Å; A262-K265 WeakPolarHBondContact O-CB 3.43Å; A262-K265 PolarHBondContact O-N 3.36Å; A262-E266 PolarHBondContact O-N 3.05Å |
| 263 | A | 68.4 | Low | 59.2 | Low | 63 Ų | 63 | 116.6 Ų | 116.6 | 52% | 0.521 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -59.1 | -31 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | L267 | A263-L267 PolarHBondContact O-N 3.14Å |
| 264 | L | 62.1 | Low | 59.7 | Low | 94 Ų | 94 | 119.7 Ų | 119.7 | 49% | 0.492 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -80.1 | -15.6 | 175.4 | -64.3 | -173.6 | 0 | 0 | 0 | 113.1 | V259 T261 A262 L267 R268 | V259-L264 HydrophobicContact CG1-CB 3.29Å; T261-L264 PolarHBondContact O-N 3.26Å; T261-L264 WeakPolarHBondContact OG1-CD1 3.19Å; A262-L264 PolarHBondContact O-N 3.49Å; L264-L267 HydrophobicContact CD2-CD1 4.27Å; L264-R268 PolarHBondContact O-N 3.08Å |
| 265 | K | 68.3 | Low | 60.1 | Low | 121 Ų | 121 | 119.7 Ų | 119.7 | 53% | 0.526 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -76.5 | -35.1 | 170.7 | -66.1 | 172.3 | -173.8 | 170.1 | 0 | 111.2 | V259 I260 T261 A262 L267 R268 | V259-K265 HydrophobicContact CB-CG 4.26Å; V259-K265 HydrophobicContact CG1-CG 4Å; V259-K265 WeakPolarHBondContact O-CE 3.48Å; I260-K265 PolarHBondContact O-NZ 3.36Å; T261-K265 PolarHBondContact O-N 3.44Å; A262-K265 WeakPolarHBondContact O-CA 3.26Å; A262-K265 WeakPolarHBondContact O-CB 3.43Å; A262-K265 PolarHBondContact O-N 3.36Å; K265-L267 VanDerWaalsContact C-N 3.27Å; K265-L267 PolarHBondContact O-N 3.34Å; K265-R268 WeakPolarHBondContact O-CB 3.26Å; K265-R268 PolarHBondContact O-N 3.47Å; K265-R268 VanDerWaalsContact O-N 3.13Å |
| 266 | E | 67.1 | Low | 60.5 | Low | 168 Ų | 168 | 120 Ų | 120 | 79% | 0.785 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -67.2 | -30.8 | 173.9 | -65.8 | 173.1 | 174 | 0 | 0 | 111.7 | A262 R268 | A262-E266 PolarHBondContact O-N 3.05Å; E266-R268 VanDerWaalsContact C-N 3.3Å |
| 267 | L | 62.2 | Low | 60.3 | Low | 141 Ų | 141 | 123.8 Ų | 123.8 | 74% | 0.738 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | 7.9 | 172.1 | -62.3 | 175.1 | 0 | 0 | 0 | 113.9 | A263 L264 K265 A269 | A263-L267 PolarHBondContact O-N 3.14Å; L264-L267 HydrophobicContact CD2-CD1 4.27Å; K265-L267 VanDerWaalsContact C-N 3.27Å; K265-L267 PolarHBondContact O-N 3.34Å; L267-A269 PolarHBondContact O-N 3.25Å |
| 268 | R | 62.4 | Low | 60 | Low | 136 Ų | 136 | 122.2 Ų | 122.2 | 51% | 0.513 | 64% | 0.641 | S | S | . | * | trans | -77.2 | 106.8 | 178.2 | -175 | -177.7 | -118.4 | -141.8 | 0.5 | 109.9 | Y257 L264 K265 E266 E270 | Y257-R268 PolarHBondContact O-NH2 3.3Å; L264-R268 PolarHBondContact O-N 3.08Å; K265-R268 WeakPolarHBondContact O-CB 3.26Å; K265-R268 PolarHBondContact O-N 3.47Å; K265-R268 VanDerWaalsContact O-N 3.13Å; E266-R268 VanDerWaalsContact C-N 3.3Å; R268-E270 PolarHBondContact O-N 3.17Å | ||
| 269 | A | 56.2 | Low | 59.5 | Low | 61 Ų | 61 | 122.4 Ų | 122.4 | 50% | 0.504 | 64% | 0.644 | S | S | . | * | trans | -43.3 | 108.1 | 168.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L267 S273 | L267-A269 PolarHBondContact O-N 3.25Å; A269-S273 WeakPolarHBondContact CA-OG 3.15Å; A269-S273 VanDerWaalsContact CB-OG 3.23Å; A269-S273 WeakPolarHBondContact CB-OG 3.45Å | ||
| 270 | E | 55.2 | Low | 58.8 | Low | 171 Ų | 171 | 124.3 Ų | 124.3 | 80% | 0.799 | 66% | 0.66 | S | S | * | * | trans | -70.3 | 156.2 | 163.7 | -63.9 | -160.1 | 149.9 | 0 | 0 | 109.8 | R268 E272 S273 | R268-E270 PolarHBondContact O-N 3.17Å; E270-E272 PolarHBondContact O-N 3.23Å; E270-S273 PolarHBondContact O-N 3.36Å; E270-S273 PolarHBondContact O-OG 3.34Å | ||
| 271 | G | 53.7 | Low | 58 | Low | 64 Ų | 64 | 127.1 Ų | 127.1 | 66% | 0.66 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -56.2 | -24.7 | -148.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | S273 R274 | G271-S273 VanDerWaalsContact C-N 3.32Å; G271-S273 PolarHBondContact O-N 2.91Å; G271-R274 WeakPolarHBondContact O-CB 3.23Å; G271-R274 PolarHBondContact O-N 2.75Å |
| 272 | E | 53.9 | Low | 57.1 | Low | 207 Ų | 207 | 125.2 Ų | 125.2 | 97% | 0.967 | 67% | 0.666 | S | S | * | * | G | 310 helix | trans | -72.2 | -24.2 | -179.8 | -57.4 | -175.5 | 163.9 | 0 | 0 | 113.2 | E270 | E270-E272 PolarHBondContact O-N 3.23Š|
| 273 | S | 50.2 | Low | 56.6 | Low | 73 Ų | 73 | 127.3 Ų | 127.3 | 51% | 0.51 | 67% | 0.674 | S | S | . | * | G | 310 helix | trans | -93 | 4.8 | 177.3 | 59.3 | 0 | 0 | 0 | 0 | 113.6 | A269 E270 G271 I275 | A269-S273 WeakPolarHBondContact CA-OG 3.15Å; A269-S273 VanDerWaalsContact CB-OG 3.23Å; A269-S273 WeakPolarHBondContact CB-OG 3.45Å; E270-S273 PolarHBondContact O-N 3.36Å; E270-S273 PolarHBondContact O-OG 3.34Å; G271-S273 VanDerWaalsContact C-N 3.32Å; G271-S273 PolarHBondContact O-N 2.91Å; S273-I275 PolarHBondContact O-N 2.88Å |
| 274 | R | 51.8 | Low | 56.4 | Low | 168 Ų | 168 | 128.7 Ų | 128.7 | 63% | 0.634 | 67% | 0.672 | S | S | * | * | trans | -78.7 | 102.3 | 177.5 | -161.4 | -176.4 | -172.4 | -173.5 | 1.6 | 109.4 | G271 L276 | G271-R274 WeakPolarHBondContact O-CB 3.23Å; G271-R274 PolarHBondContact O-N 2.75Å; R274-L276 HydrophobicContact CG-CD1 4.27Å; R274-L276 HydrophobicContact CG-CG 4.16Å; R274-L276 PolarHBondContact O-N 2.69Å | ||
| 275 | I | 52.7 | Low | 56.5 | Low | 154 Ų | 154 | 131.1 Ų | 131.1 | 79% | 0.79 | 69% | 0.685 | S | S | * | * | trans | -69.1 | 78.2 | -179.4 | -50.2 | 178.5 | 0 | 0 | 0 | 110.8 | S273 | S273-I275 PolarHBondContact O-N 2.88Š| ||
| 276 | L | 51.4 | Low | 56.2 | Low | 130 Ų | 130 | 131 Ų | 131 | 68% | 0.681 | 69% | 0.691 | S | S | * | * | trans | -105.5 | 57.5 | 166.6 | -65.9 | 177.1 | 0 | 0 | 0 | 108.8 | R274 E278 | R274-L276 HydrophobicContact CG-CD1 4.27Å; R274-L276 HydrophobicContact CG-CG 4.16Å; R274-L276 PolarHBondContact O-N 2.69Å; L276-E278 PolarHBondContact O-N 3.28Å | ||
| 277 | R | 47.2 | Very low | 56.2 | Low | 172 Ų | 172 | 125.6 Ų | 125.6 | 65% | 0.649 | 67% | 0.667 | S | S | * | * | trans | -76.5 | 106 | 167.4 | -148.8 | -177.2 | -162.8 | -179 | 4.3 | 107.2 | Y290 | R277-Y290 VanDerWaalsContact CD-OH 3.31Å; R277-Y290 WeakPolarHBondContact CD-OH 3.43Å; R277-Y290 PolarHBondContact NH1-OH 3.33Å | ||
| 278 | E | 53.3 | Low | 56.4 | Low | 170 Ų | 170 | 123.6 Ų | 123.6 | 79% | 0.794 | 65% | 0.654 | S | S | * | * | trans | -55.4 | 141.8 | 172.7 | -64.6 | -175.1 | 147.2 | 0 | 0 | 109.7 | L276 S280 | L276-E278 PolarHBondContact O-N 3.28Å; E278-S280 VanDerWaalsContact C-N 3.34Å; E278-S280 PolarHBondContact O-N 3.08Å | ||
| 279 | P | 51.3 | Low | 56.5 | Low | 129 Ų | 129 | 121.1 Ų | 121.1 | 84% | 0.838 | 66% | 0.657 | S | S | * | * | trans | -67.6 | 87.2 | -179.9 | -21.5 | 34.4 | 0 | 0 | 0 | 112.3 | E281 | P279-E281 PolarHBondContact O-N 3.15Š| ||
| 280 | S | 51.7 | Low | 57 | Low | 86 Ų | 86 | 123.2 Ų | 123.2 | 60% | 0.601 | 65% | 0.652 | S | S | * | * | trans | -62.8 | 126.6 | 170.4 | 57.5 | 0 | 0 | 0 | 0 | 110.1 | E278 G282 | E278-S280 VanDerWaalsContact C-N 3.34Å; E278-S280 PolarHBondContact O-N 3.08Å; S280-G282 PolarHBondContact O-N 3.31Å | ||
| 281 | E | 52.1 | Low | 57.8 | Low | 209 Ų | 209 | 119.8 Ų | 119.8 | 98% | 0.977 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -68.2 | 11.8 | -176.8 | -57.5 | -174 | 122.5 | 0 | 0 | 115.1 | P279 | P279-E281 PolarHBondContact O-N 3.15Š|
| 282 | G | 59.3 | Low | 58.7 | Low | 42 Ų | 42 | 120.6 Ų | 120.6 | 43% | 0.433 | 63% | 0.625 | S | S | . | * | S | Bend | trans | -82 | 167.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | S280 | S280-G282 PolarHBondContact O-N 3.31Š|
| 283 | P | 57.8 | Low | 59.3 | Low | 114 Ų | 114 | 114.7 Ų | 114.7 | 74% | 0.74 | 60% | 0.603 | S | S | * | * | trans | -55.8 | 141.8 | 164.3 | -20.6 | 33.3 | 0 | 0 | 0 | 110.9 | D285 | P283-D285 PolarHBondContact O-N 3.4Š| ||
| 284 | I | 65.6 | Low | 60.2 | Low | 92 Ų | 92 | 118 Ų | 118 | 47% | 0.472 | 62% | 0.615 | S | S | . | * | trans | -88.8 | 100.8 | 169.7 | -59.1 | 174 | 0 | 0 | 0 | 107 | L287 Y290 | I284-L287 HydrophobicContact CB-CD1 4.36Å; I284-L287 HydrophobicContact CG2-CD1 4.1Å; I284-Y290 HydrophobicContact CG2-CD2 3.92Å; I284-Y290 HydrophobicContact CG2-CE2 3.53Å | ||
| 285 | D | 62.3 | Low | 61 | Low | 145 Ų | 145 | 116 Ų | 116 | 78% | 0.775 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -66.6 | -49.4 | -177.1 | -62.2 | -44.9 | 0 | 0 | 0 | 111.5 | P283 | P283-D285 PolarHBondContact O-N 3.4Š|
| 286 | D | 64 | Low | 61.9 | Low | 120 Ų | 120 | 114.3 Ų | 114.3 | 64% | 0.642 | 60% | 0.603 | S | S | * | * | trans | -102.2 | 79.2 | 179.7 | -66.8 | -48 | 0 | 0 | 0 | 112.1 | E288 S289 | D286-E288 PolarHBondContact O-N 3.18Å; D286-S289 WeakPolarHBondContact O-CB 3.23Å; D286-S289 PolarHBondContact O-N 3.31Å; D286-S289 VanDerWaalsContact O-N 3.14Å; D286-S289 PolarHBondContact O-OG 2.83Å | ||
| 287 | L | 66.9 | Low | 62.9 | Low | 54 Ų | 54 | 117.4 Ų | 117.4 | 28% | 0.283 | 61% | 0.614 | S | S | . | * | G | 310 helix | trans | -59.1 | -34.2 | 179 | -156.6 | 72.8 | 0 | 0 | 0 | 112.4 | I284 S289 Y290 Y291 V298 R300 | I284-L287 HydrophobicContact CB-CD1 4.36Å; I284-L287 HydrophobicContact CG2-CD1 4.1Å; L287-S289 PolarHBondContact O-N 2.88Å; L287-Y290 PolarHBondContact O-N 3.07Å; L287-Y290 VanDerWaalsContact O-N 3.14Å; L287-Y291 HydrophobicContact CD1-CE2 4.46Å; L287-Y291 HydrophobicContact CG-CD2 4.43Å; L287-Y291 HydrophobicContact CG-CE2 4.08Å; L287-Y291 WeakPolarHBondContact O-CD2 3.44Å; L287-V298 HydrophobicContact CD2-CG1 4.04Å; L287-V298 HydrophobicContact CG-CG1 4.41Å; L287-R300 HydrophobicContact CD2-CG 4.48Å |
| 288 | E | 65.8 | Low | 64.2 | Low | 99 Ų | 99 | 110.3 Ų | 110.3 | 46% | 0.463 | 59% | 0.59 | S | S | . | * | G | 310 helix | trans | -66.2 | -14.8 | 179.5 | -76.5 | 152.7 | -148.8 | 0 | 0 | 113.8 | D286 Y290 V298 R300 | D286-E288 PolarHBondContact O-N 3.18Å; E288-Y290 PolarHBondContact O-N 3.1Å; E288-V298 HydrophobicContact CG-CG2 4.45Å; E288-R300 IonicContact OE1-CZ 3.86Å; E288-R300 IonicContact OE1-NE 3.17Å; E288-R300 IonicContact OE1-NH2 2.79Å; E288-R300 PolarHBondContact OE1-NH2 2.92Å |
| 289 | S | 65 | Low | 64.9 | Low | 83 Ų | 83 | 105.4 Ų | 105.4 | 58% | 0.58 | 58% | 0.575 | S | S | * | * | G | 310 helix | trans | -74.5 | -10 | 172.3 | 68.1 | 0 | 0 | 0 | 0 | 114.5 | D286 L287 | D286-S289 WeakPolarHBondContact O-CB 3.23Å; D286-S289 PolarHBondContact O-N 3.31Å; D286-S289 VanDerWaalsContact O-N 3.14Å; D286-S289 PolarHBondContact O-OG 2.83Å; L287-S289 PolarHBondContact O-N 2.88Å |
| 290 | Y | 65.6 | Low | 65.9 | Low | 105 Ų | 105 | 108.3 Ų | 108.3 | 41% | 0.412 | 57% | 0.569 | S | S | . | * | S | Bend | trans | -112 | -7.4 | -177.1 | -66.8 | -88.7 | 0 | 0 | 0 | 114.7 | R277 I284 L287 E288 | R277-Y290 VanDerWaalsContact CD-OH 3.31Å; R277-Y290 WeakPolarHBondContact CD-OH 3.43Å; R277-Y290 PolarHBondContact NH1-OH 3.33Å; I284-Y290 HydrophobicContact CG2-CD2 3.92Å; I284-Y290 HydrophobicContact CG2-CE2 3.53Å; L287-Y290 PolarHBondContact O-N 3.07Å; L287-Y290 VanDerWaalsContact O-N 3.14Å; E288-Y290 PolarHBondContact O-N 3.1Å |
| 291 | Y | 71.6 | Confident | 66.9 | Low | 100 Ų | 100 | 107.7 Ų | 107.7 | 39% | 0.392 | 56% | 0.562 | S | S | . | * | S | Bend | trans | -122.1 | 136.5 | -179.5 | -68.8 | -94.1 | 0 | 0 | 0 | 109.6 | L287 T293 V298 | L287-Y291 HydrophobicContact CD1-CE2 4.46Å; L287-Y291 HydrophobicContact CG-CD2 4.43Å; L287-Y291 HydrophobicContact CG-CE2 4.08Å; L287-Y291 WeakPolarHBondContact O-CD2 3.44Å; Y291-T293 PolarHBondContact O-N 2.82Å; Y291-T293 VanDerWaalsContact O-N 3.09Å; Y291-V298 HydrophobicContact CD2-CG1 3.82Å; Y291-V298 HydrophobicContact CE2-CG1 4.34Å; Y291-V298 HydrophobicContact CG-CG1 4.06Å; Y291-V298 HydrophobicContact CG-CG2 4.35Å |
| 292 | V | 73.9 | Confident | 67.8 | Low | 81 Ų | 81 | 101 Ų | 101 | 49% | 0.491 | 54% | 0.536 | S | S | . | . | trans | -76 | 101.7 | 170.1 | -172.4 | 0 | 0 | 0 | 0 | 107.9 | D294 L295 F296 | V292-D294 HydrophobicContact CG1-CB 4.35Å; V292-D294 PolarHBondContact O-N 2.91Å; V292-L295 HydrophobicContact CB-CD1 4.19Å; V292-L295 HydrophobicContact CG1-CD1 3.54Å; V292-L295 PolarHBondContact O-N 3.39Å; V292-L295 VanDerWaalsContact O-N 3.14Å; V292-F296 HydrophobicContact CB-CE2 4.45Å; V292-F296 PolarHBondContact O-N 2.87Å | ||
| 293 | T | 65.8 | Low | 68.1 | Low | 82 Ų | 82 | 103.5 Ų | 103.5 | 50% | 0.503 | 55% | 0.553 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -50.8 | -29.5 | 179.8 | 44.8 | 0 | 0 | 0 | 0 | 113.5 | Y291 V298 | Y291-T293 PolarHBondContact O-N 2.82Å; Y291-T293 VanDerWaalsContact O-N 3.09Å; T293-V298 HydrophobicContact CG2-CG2 4.41Å |
| 294 | D | 69.3 | Low | 68.6 | Low | 143 Ų | 143 | 103 Ų | 103 | 77% | 0.765 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -7.7 | -170.1 | -51 | -4.4 | 0 | 0 | 0 | 112.5 | V292 | V292-D294 HydrophobicContact CG1-CB 4.35Å; V292-D294 PolarHBondContact O-N 2.91Å |
| 295 | L | 69.1 | Low | 68.8 | Low | 126 Ų | 126 | 103.4 Ų | 103.4 | 66% | 0.66 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114 | -27.8 | 175.3 | -81.6 | 95.6 | 0 | 0 | 0 | 114 | V292 | V292-L295 HydrophobicContact CB-CD1 4.19Å; V292-L295 HydrophobicContact CG1-CD1 3.54Å; V292-L295 PolarHBondContact O-N 3.39Å; V292-L295 VanDerWaalsContact O-N 3.14Å |
| 296 | F | 71.2 | Confident | 69.1 | Low | 119 Ų | 119 | 100 Ų | 100 | 52% | 0.522 | 52% | 0.522 | S | S | . | . | S | Bend | trans | -143.2 | 137.9 | -173.2 | -28.6 | -80 | 0 | 0 | 0 | 112.1 | V292 V298 | V292-F296 HydrophobicContact CB-CE2 4.45Å; V292-F296 PolarHBondContact O-N 2.87Å; F296-V298 PolarHBondContact O-N 3.01Å |
| 297 | E | 72.8 | Confident | 69.3 | Low | 195 Ų | 195 | 98.7 Ų | 98.7 | 91% | 0.911 | 51% | 0.514 | S | S | * | . | trans | -65.2 | 121.5 | 167.6 | -171.2 | -177.8 | 177.7 | 0 | 0 | 109.6 | S299 | E297-S299 PolarHBondContact O-N 2.7Š| ||
| 298 | V | 74.8 | Confident | 69.4 | Low | 22 Ų | 22 | 102.9 Ų | 102.9 | 13% | 0.133 | 53% | 0.53 | C | S | . | . | trans | -69.6 | 100.3 | -173.8 | -175.6 | 0 | 0 | 0 | 0 | 110.2 | L287 E288 Y291 T293 F296 R300 | L287-V298 HydrophobicContact CD2-CG1 4.04Å; L287-V298 HydrophobicContact CG-CG1 4.41Å; E288-V298 HydrophobicContact CG-CG2 4.45Å; Y291-V298 HydrophobicContact CD2-CG1 3.82Å; Y291-V298 HydrophobicContact CE2-CG1 4.34Å; Y291-V298 HydrophobicContact CG-CG1 4.06Å; Y291-V298 HydrophobicContact CG-CG2 4.35Å; T293-V298 HydrophobicContact CG2-CG2 4.41Å; F296-V298 PolarHBondContact O-N 3.01Å; V298-R300 PolarHBondContact O-N 3.47Å | ||
| 299 | S | 67.8 | Low | 69.2 | Low | 68 Ų | 68 | 103.7 Ų | 103.7 | 48% | 0.476 | 54% | 0.537 | S | S | . | . | trans | -68.2 | 92.6 | -176.1 | 64.2 | 0 | 0 | 0 | 0 | 112 | E297 T301 | E297-S299 PolarHBondContact O-N 2.7Å; S299-T301 PolarHBondContact O-N 2.97Å | ||
| 300 | R | 72 | Confident | 69.3 | Low | 190 Ų | 190 | 105 Ų | 105 | 72% | 0.717 | 53% | 0.53 | S | S | * | . | trans | -68.6 | 15 | 177.2 | -63.3 | -179.9 | 176.7 | -176.4 | -1.5 | 114.3 | L287 E288 V298 | L287-R300 HydrophobicContact CD2-CG 4.48Å; E288-R300 IonicContact OE1-CZ 3.86Å; E288-R300 IonicContact OE1-NE 3.17Å; E288-R300 IonicContact OE1-NH2 2.79Å; E288-R300 PolarHBondContact OE1-NH2 2.92Å; V298-R300 PolarHBondContact O-N 3.47Å | ||
| 301 | T | 71.7 | Confident | 69.3 | Low | 73 Ų | 73 | 103.6 Ų | 103.6 | 45% | 0.448 | 54% | 0.54 | S | S | . | . | S | Bend | trans | -75.1 | 133.7 | 175.6 | 50.8 | 0 | 0 | 0 | 0 | 111.1 | S299 | S299-T301 PolarHBondContact O-N 2.97Š|
| 302 | P | 71 | Confident | 69.1 | Low | 69 Ų | 69 | 101.3 Ų | 101.3 | 45% | 0.448 | 54% | 0.542 | S | S | . | . | trans | -66.3 | 141.1 | 178.8 | 28.5 | -34.9 | 0 | 0 | 0 | 110.8 | H304 H305 | P302-H304 PolarHBondContact O-N 3.26Å; P302-H305 HydrophobicContact CG-CB 4.44Å; P302-H305 WeakPolarHBondContact O-CB 3.48Å; P302-H305 PolarHBondContact O-N 2.95Å | ||
| 303 | A | 66.5 | Low | 69 | Low | 94 Ų | 94 | 99.4 Ų | 99.4 | 78% | 0.777 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | -28.7 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | H305 | A303-H305 VanDerWaalsContact C-N 3.25Å; A303-H305 PolarHBondContact O-N 3.48Å |
| 304 | H | 67.4 | Low | 69 | Low | 103 Ų | 103 | 104.6 Ų | 104.6 | 48% | 0.477 | 55% | 0.547 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -6.5 | 177.2 | 76.1 | -106 | 0 | 0 | 0 | 114.6 | P302 K308 | P302-H304 PolarHBondContact O-N 3.26Å; H304-K308 PolarHBondContact CD2-NZ 2.95Å; H304-K308 VanDerWaalsContact CD2-NZ 3.3Å; H304-K308 PolarHBondContact NE2-NZ 2.96Å |
| 305 | H | 70.9 | Confident | 68.8 | Low | 101 Ų | 101 | 102.2 Ų | 102.2 | 47% | 0.468 | 56% | 0.556 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.7 | -54.7 | -173.3 | -168.3 | 99.3 | 0 | 0 | 0 | 111.6 | P302 A303 L307 K308 | P302-H305 HydrophobicContact CG-CB 4.44Å; P302-H305 WeakPolarHBondContact O-CB 3.48Å; P302-H305 PolarHBondContact O-N 2.95Å; A303-H305 VanDerWaalsContact C-N 3.25Å; A303-H305 PolarHBondContact O-N 3.48Å; H305-L307 VanDerWaalsContact C-N 3.35Å; H305-K308 PolarHBondContact O-N 3.38Å |
| 306 | L | 67.4 | Low | 68.8 | Low | 74 Ų | 74 | 103.2 Ų | 103.2 | 39% | 0.387 | 55% | 0.551 | S | S | . | * | G | 310 helix | trans | -72.7 | -27.6 | 178.3 | -59.9 | 177.3 | 0 | 0 | 0 | 112.2 | K308 N309 A312 I313 | L306-K308 PolarHBondContact O-N 3.15Å; L306-N309 CarbonylContact O-C 3.59Å; L306-N309 PolarHBondContact O-N 3.37Å; L306-A312 HydrophobicContact CD2-CB 4.03Å; L306-I313 HydrophobicContact CB-CD1 4.43Å; L306-I313 HydrophobicContact CB-CG1 3.8Å; L306-I313 HydrophobicContact CD1-CG1 4.45Å |
| 307 | L | 67.9 | Low | 68.6 | Low | 91 Ų | 91 | 104.4 Ų | 104.4 | 48% | 0.476 | 56% | 0.563 | S | S | . | * | G | 310 helix | trans | -62.9 | -12.6 | 175.1 | -63.6 | 179.7 | 0 | 0 | 0 | 114.3 | H305 W310 I313 | H305-L307 VanDerWaalsContact C-N 3.35Å; L307-W310 PolarHBondContact O-NE1 3.32Å; L307-W310 VanDerWaalsContact O-NE1 3.08Å; L307-I313 HydrophobicContact CD2-CD1 4.3Å |
| 308 | K | 70.1 | Confident | 68.1 | Low | 143 Ų | 143 | 103.4 Ų | 103.4 | 62% | 0.622 | 56% | 0.556 | S | S | * | * | G | 310 helix | trans | -75.2 | -32.2 | 170.1 | -70.7 | 165.4 | 179 | 162.6 | 0 | 112.5 | H304 H305 L306 | H304-K308 PolarHBondContact CD2-NZ 2.95Å; H304-K308 VanDerWaalsContact CD2-NZ 3.3Å; H304-K308 PolarHBondContact NE2-NZ 2.96Å; H305-K308 PolarHBondContact O-N 3.38Å; L306-K308 PolarHBondContact O-N 3.15Å |
| 309 | N | 61.8 | Low | 67.5 | Low | 116 Ų | 116 | 105.9 Ų | 105.9 | 62% | 0.62 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -131.5 | 85.1 | -178.4 | -74 | -26.5 | 0 | 0 | 0 | 108.6 | L306 A311 A312 | L306-N309 CarbonylContact O-C 3.59Å; L306-N309 PolarHBondContact O-N 3.37Å; N309-A311 PolarHBondContact O-N 2.97Å; N309-A311 VanDerWaalsContact O-N 3.08Å; N309-A312 HydrophobicContact CB-CB 4.18Å; N309-A312 VanDerWaalsContact O-CB 3.27Å; N309-A312 WeakPolarHBondContact O-CB 3.28Å; N309-A312 PolarHBondContact O-N 3.09Å |
| 310 | W | 67.3 | Low | 67.4 | Low | 110 Ų | 110 | 107.7 Ų | 107.7 | 42% | 0.417 | 58% | 0.584 | S | S | . | * | G | 310 helix | trans | -56.2 | -33 | -172 | -76.7 | 49.3 | 0 | 0 | 0 | 113.6 | L307 A312 I313 | L307-W310 PolarHBondContact O-NE1 3.32Å; L307-W310 VanDerWaalsContact O-NE1 3.08Å; W310-A312 PolarHBondContact O-N 3.4Å; W310-I313 WeakPolarHBondContact O-CB 3.48Å; W310-I313 PolarHBondContact O-N 3.01Å; W310-I313 VanDerWaalsContact O-N 3.1Å |
| 311 | A | 64.8 | Low | 67.2 | Low | 76 Ų | 76 | 107.6 Ų | 107.6 | 63% | 0.628 | 59% | 0.592 | S | S | * | * | G | 310 helix | trans | -69.9 | -2.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | N309 F318 | N309-A311 PolarHBondContact O-N 2.97Å; N309-A311 VanDerWaalsContact O-N 3.08Å; A311-F318 HydrophobicContact CB-CE1 3.82Å; A311-F318 HydrophobicContact CB-CZ 4.37Å |
| 312 | A | 67.6 | Low | 66.9 | Low | 52 Ų | 52 | 115.3 Ų | 115.3 | 43% | 0.43 | 61% | 0.613 | S | S | . | * | G | 310 helix | trans | -91.1 | -4.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L306 N309 W310 | L306-A312 HydrophobicContact CD2-CB 4.03Å; N309-A312 HydrophobicContact CB-CB 4.18Å; N309-A312 VanDerWaalsContact O-CB 3.27Å; N309-A312 WeakPolarHBondContact O-CB 3.28Å; N309-A312 PolarHBondContact O-N 3.09Å; W310-A312 PolarHBondContact O-N 3.4Å |
| 313 | I | 72.1 | Confident | 67.2 | Low | 40 Ų | 40 | 116.1 Ų | 116.1 | 21% | 0.205 | 61% | 0.611 | C | S | . | * | S | Bend | trans | -84.6 | 109.8 | 169.2 | -56.6 | 172.9 | 0 | 0 | 0 | 106.8 | L306 L307 W310 R316 | L306-I313 HydrophobicContact CB-CD1 4.43Å; L306-I313 HydrophobicContact CB-CG1 3.8Å; L306-I313 HydrophobicContact CD1-CG1 4.45Å; L307-I313 HydrophobicContact CD2-CD1 4.3Å; W310-I313 WeakPolarHBondContact O-CB 3.48Å; W310-I313 PolarHBondContact O-N 3.01Å; W310-I313 VanDerWaalsContact O-N 3.1Å; I313-R316 HydrophobicContact CB-CB 4.31Å; I313-R316 HydrophobicContact CG2-CB 3.91Å |
| 314 | Q | 65.1 | Low | 68.1 | Low | 192 Ų | 192 | 114.9 Ų | 114.9 | 90% | 0.897 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | 143.2 | 178.5 | -61.4 | -175.2 | 10.8 | 0 | 0 | 110.6 | R316 | Q314-R316 VanDerWaalsContact C-N 3.33Å; Q314-R316 PolarHBondContact O-N 3.43Å |
| 315 | G | 66.3 | Low | 68.7 | Low | 93 Ų | 93 | 117.3 Ų | 117.3 | 96% | 0.959 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 69.6 | 20.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 316 | R | 69 | Low | 69.1 | Low | 147 Ų | 147 | 120.5 Ų | 120.5 | 56% | 0.555 | 62% | 0.618 | S | S | * | * | trans | -126.8 | 132 | 179 | -168.8 | 173.5 | -170.8 | 154 | 7.3 | 113.2 | I313 Q314 | I313-R316 HydrophobicContact CB-CB 4.31Å; I313-R316 HydrophobicContact CG2-CB 3.91Å; Q314-R316 VanDerWaalsContact C-N 3.33Å; Q314-R316 PolarHBondContact O-N 3.43Å | ||
| 317 | D | 66.2 | Low | 69.8 | Low | 143 Ų | 143 | 120.2 Ų | 120.2 | 77% | 0.765 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 158.8 | 179.1 | -60.4 | -64.1 | 0 | 0 | 0 | 114.2 | ||
| 318 | F | 61.6 | Low | 70.5 | Confident | 175 Ų | 175 | 122.6 Ų | 122.6 | 77% | 0.768 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 138.2 | 175.4 | -66.3 | -85.1 | 0 | 0 | 0 | 111.3 | A311 | A311-F318 HydrophobicContact CB-CE1 3.82Å; A311-F318 HydrophobicContact CB-CZ 4.37Å |
| 319 | S | 62.3 | Low | 71.3 | Confident | 74 Ų | 74 | 120.4 Ų | 120.4 | 52% | 0.517 | 62% | 0.615 | S | S | . | * | P | Polyproline II helix | trans | -60.8 | 135.3 | 178.2 | -167.6 | 0 | 0 | 0 | 0 | 110.8 | ||
| 320 | P | 65.4 | Low | 72.4 | Confident | 106 Ų | 106 | 119.1 Ų | 119.1 | 69% | 0.688 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 140.4 | -174.5 | -30.2 | 35.6 | 0 | 0 | 0 | 114.3 | ||
| 321 | E | 69.2 | Low | 73.4 | Confident | 188 Ų | 188 | 122.2 Ų | 122.2 | 88% | 0.879 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 140.2 | 177.7 | -67.5 | -157 | 151.1 | 0 | 0 | 111.7 | E323 | E321-E323 PolarHBondContact O-N 3.4Š|
| 322 | R | 65.9 | Low | 74.6 | Confident | 235 Ų | 235 | 123.5 Ų | 123.5 | 89% | 0.887 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 121.7 | -177.6 | -69 | -178.6 | 176.6 | 170.2 | 0.2 | 110.5 | T324 | R322-T324 PolarHBondContact O-N 3.26Š|
| 323 | E | 75.6 | Confident | 75.6 | Confident | 86 Ų | 86 | 126 Ų | 126 | 40% | 0.402 | 62% | 0.616 | S | S | . | * | trans | -43.2 | 112.3 | 179.7 | -173.1 | -169.4 | -128.1 | 0 | 0 | 111.7 | E321 C327 R328 | E321-E323 PolarHBondContact O-N 3.4Å; E323-C327 HydrophobicContact CG-CB 4.17Å; E323-R328 HydrophobicContact CG-CB 4.37Å; E323-R328 IonicContact OE2-CZ 2.67Å; E323-R328 IonicContact OE2-NE 2.98Å; E323-R328 PolarHBondContact OE2-NE 3.04Å; E323-R328 IonicContact OE2-NH2 3.71Å; E323-R328 PolarHBondContact OE2-NH2 2.85Å | ||
| 324 | T | 85.8 | Confident | 76.2 | Confident | 68 Ų | 68 | 128.5 Ų | 128.5 | 42% | 0.417 | 63% | 0.626 | S | S | . | * | trans | -76.6 | 157.2 | 178.8 | 80.5 | 0 | 0 | 0 | 0 | 110.7 | R322 K326 C327 R328 | R322-T324 PolarHBondContact O-N 3.26Å; T324-K326 PolarHBondContact O-N 2.94Å; T324-K326 VanDerWaalsContact O-N 3.15Å; T324-K326 PolarHBondContact OG1-N 3.16Å; T324-C327 PolarHBondContact O-N 3Å; T324-C327 PolarHBondContact OG1-N 3.24Å; T324-C327 PolarHBondContact OG1-SG 2.83Å; T324-R328 PolarHBondContact O-N 3.37Å | ||
| 325 | Q | 79.5 | Confident | 77.5 | Confident | 153 Ų | 153 | 125.5 Ų | 125.5 | 72% | 0.715 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -57.8 | -29.4 | 175.2 | -175.1 | 173.4 | -21.4 | 0 | 0 | 112.6 | Q329 | Q325-Q329 WeakPolarHBondContact O-CB 3.21Å; Q325-Q329 VanDerWaalsContact O-CG 3.28Å; Q325-Q329 WeakPolarHBondContact O-CG 3.48Å; Q325-Q329 PolarHBondContact O-N 3.37Å; Q325-Q329 VanDerWaalsContact O-N 3.1Å |
| 326 | K | 81.3 | Confident | 78.6 | Confident | 169 Ų | 169 | 127 Ų | 127 | 74% | 0.735 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -69.2 | -45.5 | 173.5 | -67.3 | -174.8 | 177.6 | -177.7 | 0 | 111.6 | T324 R328 Q329 L330 | T324-K326 PolarHBondContact O-N 2.94Å; T324-K326 VanDerWaalsContact O-N 3.15Å; T324-K326 PolarHBondContact OG1-N 3.16Å; K326-R328 VanDerWaalsContact C-N 3.32Å; K326-R328 PolarHBondContact O-N 3.46Å; K326-Q329 PolarHBondContact O-N 3.48Å; K326-L330 WeakPolarHBondContact O-CB 3.39Å; K326-L330 PolarHBondContact O-N 2.91Å |
| 327 | C | 80.4 | Confident | 79.8 | Confident | 68 Ų | 68 | 122.5 Ų | 122.5 | 46% | 0.459 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -60.2 | -42.9 | 177.2 | -57 | 0 | 0 | 0 | 0 | 111.4 | E323 T324 L330 R331 | E323-C327 HydrophobicContact CG-CB 4.17Å; T324-C327 PolarHBondContact O-N 3Å; T324-C327 PolarHBondContact OG1-N 3.24Å; T324-C327 PolarHBondContact OG1-SG 2.83Å; C327-L330 PolarHBondContact O-N 3.04Å; C327-R331 WeakPolarHBondContact O-CB 3.25Å; C327-R331 PolarHBondContact O-N 3.01Å |
| 328 | R | 84.3 | Confident | 80.7 | Confident | 140 Ų | 140 | 122.7 Ų | 122.7 | 53% | 0.528 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62.9 | -42.1 | 175.5 | -177.7 | 171.9 | -69.2 | -147 | -5.1 | 112.8 | E323 T324 K326 R331 Q332 | E323-R328 HydrophobicContact CG-CB 4.37Å; E323-R328 IonicContact OE2-CZ 2.67Å; E323-R328 IonicContact OE2-NE 2.98Å; E323-R328 PolarHBondContact OE2-NE 3.04Å; E323-R328 IonicContact OE2-NH2 3.71Å; E323-R328 PolarHBondContact OE2-NH2 2.85Å; T324-R328 PolarHBondContact O-N 3.37Å; K326-R328 VanDerWaalsContact C-N 3.32Å; K326-R328 PolarHBondContact O-N 3.46Å; R328-R331 PolarHBondContact O-N 3.15Å; R328-Q332 WeakPolarHBondContact O-CG 3.4Å; R328-Q332 PolarHBondContact O-N 3.27Å |
| 329 | Q | 85.3 | Confident | 82 | Confident | 97 Ų | 97 | 116 Ų | 116 | 45% | 0.453 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.4 | -43.4 | 176.6 | -77 | 173.1 | -31 | 0 | 0 | 111.5 | Q325 K326 Q332 Q333 | Q325-Q329 WeakPolarHBondContact O-CB 3.21Å; Q325-Q329 VanDerWaalsContact O-CG 3.28Å; Q325-Q329 WeakPolarHBondContact O-CG 3.48Å; Q325-Q329 PolarHBondContact O-N 3.37Å; Q325-Q329 VanDerWaalsContact O-N 3.1Å; K326-Q329 PolarHBondContact O-N 3.48Å; Q329-Q332 PolarHBondContact O-N 3.44Å; Q329-Q333 WeakPolarHBondContact O-CG 3.36Å; Q329-Q333 PolarHBondContact O-N 3.09Å |
| 330 | L | 86.3 | Confident | 83.2 | Confident | 90 Ų | 90 | 114.1 Ų | 114.1 | 47% | 0.471 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.4 | -46.4 | 176 | -172.3 | 66 | 0 | 0 | 0 | 111.4 | K326 C327 Q332 Q333 H334 | K326-L330 WeakPolarHBondContact O-CB 3.39Å; K326-L330 PolarHBondContact O-N 2.91Å; C327-L330 PolarHBondContact O-N 3.04Å; L330-Q332 VanDerWaalsContact C-N 3.33Å; L330-Q332 PolarHBondContact O-N 3.48Å; L330-Q333 PolarHBondContact O-N 3.3Å; L330-Q333 VanDerWaalsContact O-N 3.13Å; L330-H334 VanDerWaalsContact CD1-NE2 3.35Å; L330-H334 WeakPolarHBondContact CD1-NE2 3.17Å; L330-H334 PolarHBondContact O-CD2 3.4Å; L330-H334 PolarHBondContact O-N 3.08Å |
| 331 | R | 87.6 | Confident | 84.1 | Confident | 175 Ų | 175 | 112 Ų | 112 | 66% | 0.66 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -57.2 | -43.9 | 175.6 | -173.2 | 176.6 | -176.3 | 161.1 | 7 | 112 | C327 R328 H334 E335 | C327-R331 WeakPolarHBondContact O-CB 3.25Å; C327-R331 PolarHBondContact O-N 3.01Å; R328-R331 PolarHBondContact O-N 3.15Å; R331-H334 PolarHBondContact O-N 3.08Å; R331-E335 VanDerWaalsContact O-CB 3.31Å; R331-E335 WeakPolarHBondContact O-CB 3.44Å; R331-E335 PolarHBondContact O-N 3.29Å |
| 332 | Q | 90.9 | Very high | 84.9 | Confident | 102 Ų | 102 | 110 Ų | 110 | 48% | 0.477 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67 | -33.4 | 176.9 | -73.5 | 176.7 | -21.8 | 0 | 0 | 113 | R328 Q329 L330 L336 | R328-Q332 WeakPolarHBondContact O-CG 3.4Å; R328-Q332 PolarHBondContact O-N 3.27Å; Q329-Q332 PolarHBondContact O-N 3.44Å; L330-Q332 VanDerWaalsContact C-N 3.33Å; L330-Q332 PolarHBondContact O-N 3.48Å; Q332-L336 VanDerWaalsContact O-CG 3.3Å; Q332-L336 WeakPolarHBondContact O-CG 3.27Å; Q332-L336 PolarHBondContact O-N 3.3Å; Q332-L336 VanDerWaalsContact O-N 3.16Å |
| 333 | Q | 88.1 | Confident | 85.6 | Confident | 105 Ų | 105 | 107 Ų | 107 | 49% | 0.491 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.5 | -41 | 171.8 | -70.8 | 178.8 | -66.3 | 0 | 0 | 111.4 | Q329 L330 L336 V337 | Q329-Q333 WeakPolarHBondContact O-CG 3.36Å; Q329-Q333 PolarHBondContact O-N 3.09Å; L330-Q333 PolarHBondContact O-N 3.3Å; L330-Q333 VanDerWaalsContact O-N 3.13Å; Q333-L336 PolarHBondContact O-N 2.95Å; Q333-V337 WeakPolarHBondContact O-CG2 3.36Å; Q333-V337 PolarHBondContact O-N 2.86Å |
| 334 | H | 83.2 | Confident | 85.6 | Confident | 93 Ų | 93 | 108.4 Ų | 108.4 | 43% | 0.431 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.3 | -42.6 | 177.1 | -71.4 | -149.7 | 0 | 0 | 0 | 111.4 | L330 R331 L336 V337 Y338 | L330-H334 VanDerWaalsContact CD1-NE2 3.35Å; L330-H334 WeakPolarHBondContact CD1-NE2 3.17Å; L330-H334 PolarHBondContact O-CD2 3.4Å; L330-H334 PolarHBondContact O-N 3.08Å; R331-H334 PolarHBondContact O-N 3.08Å; H334-L336 VanDerWaalsContact C-N 3.32Å; H334-L336 PolarHBondContact O-N 2.94Å; H334-V337 PolarHBondContact O-N 3.05Å; H334-V337 VanDerWaalsContact O-N 3.11Å; H334-Y338 HydrophobicContact CB-CD2 4.44Å; H334-Y338 HydrophobicContact CB-CE2 4.26Å; H334-Y338 WeakPolarHBondContact O-CD2 3.31Å; H334-Y338 PolarHBondContact O-N 3.47Å |
| 335 | E | 92.6 | Very high | 84.9 | Confident | 128 Ų | 128 | 112.6 Ų | 112.6 | 60% | 0.598 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -58.2 | -40.9 | 175 | -173.8 | 175.5 | -164.6 | 0 | 0 | 112 | R331 A339 | R331-E335 VanDerWaalsContact O-CB 3.31Å; R331-E335 WeakPolarHBondContact O-CB 3.44Å; R331-E335 PolarHBondContact O-N 3.29Å; E335-A339 WeakPolarHBondContact O-CB 3.4Å; E335-A339 PolarHBondContact O-N 3.47Å |
| 336 | L | 91 | Very high | 84.5 | Confident | 126 Ų | 126 | 107.6 Ų | 107.6 | 66% | 0.66 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -67.4 | -37 | 173.1 | -72.9 | 170 | 0 | 0 | 0 | 113.2 | Q332 Q333 H334 E340 | Q332-L336 VanDerWaalsContact O-CG 3.3Å; Q332-L336 WeakPolarHBondContact O-CG 3.27Å; Q332-L336 PolarHBondContact O-N 3.3Å; Q332-L336 VanDerWaalsContact O-N 3.16Å; Q333-L336 PolarHBondContact O-N 2.95Å; H334-L336 VanDerWaalsContact C-N 3.32Å; H334-L336 PolarHBondContact O-N 2.94Å; L336-E340 WeakPolarHBondContact O-CB 3.31Å; L336-E340 PolarHBondContact O-N 2.8Å |
| 337 | V | 92.5 | Very high | 84 | Confident | 52 Ų | 52 | 104.8 Ų | 104.8 | 32% | 0.315 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -69.7 | -43.2 | 176.2 | 169.1 | 0 | 0 | 0 | 0 | 111.1 | Q333 H334 A339 E340 L341 | Q333-V337 WeakPolarHBondContact O-CG2 3.36Å; Q333-V337 PolarHBondContact O-N 2.86Å; H334-V337 PolarHBondContact O-N 3.05Å; H334-V337 VanDerWaalsContact O-N 3.11Å; V337-A339 VanDerWaalsContact C-N 3.35Å; V337-A339 PolarHBondContact O-N 3.24Å; V337-E340 WeakPolarHBondContact O-CA 3.37Å; V337-E340 PolarHBondContact O-N 3.09Å; V337-L341 HydrophobicContact CG1-CD1 3.91Å; V337-L341 HydrophobicContact CG1-CG 4.36Å; V337-L341 WeakPolarHBondContact O-CG 3.45Å; V337-L341 PolarHBondContact O-N 3.37Å |
| 338 | Y | 87.1 | Confident | 83.2 | Confident | 147 Ų | 147 | 105.9 Ų | 105.9 | 58% | 0.576 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61 | -43.6 | 174.4 | -73.2 | -58.3 | 0 | 0 | 0 | 111.4 | H334 E340 L341 E342 | H334-Y338 HydrophobicContact CB-CD2 4.44Å; H334-Y338 HydrophobicContact CB-CE2 4.26Å; H334-Y338 WeakPolarHBondContact O-CD2 3.31Å; H334-Y338 PolarHBondContact O-N 3.47Å; Y338-E340 PolarHBondContact O-N 2.9Å; Y338-L341 HydrophobicContact CD1-CD1 4.43Å; Y338-L341 PolarHBondContact O-N 3.38Å; Y338-E342 VanDerWaalsContact O-CB 3.28Å; Y338-E342 WeakPolarHBondContact O-CB 3.44Å; Y338-E342 PolarHBondContact O-N 3.44Å |
| 339 | A | 88.2 | Confident | 82.2 | Confident | 34 Ų | 34 | 106.4 Ų | 106.4 | 28% | 0.281 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68.5 | -17.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114 | E335 V337 R343 | E335-A339 WeakPolarHBondContact O-CB 3.4Å; E335-A339 PolarHBondContact O-N 3.47Å; V337-A339 VanDerWaalsContact C-N 3.35Å; V337-A339 PolarHBondContact O-N 3.24Å; A339-R343 WeakPolarHBondContact O-CG 3.36Å; A339-R343 PolarHBondContact O-NE 3.24Å; A339-R343 PolarHBondContact O-NH1 2.91Å |
| 340 | E | 87.4 | Confident | 81.5 | Confident | 34 Ų | 34 | 106.9 Ų | 106.9 | 16% | 0.159 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -82.4 | -37 | 171.1 | -166 | 168.9 | -166.8 | 0 | 0 | 111.4 | S29 L30 S31 L336 V337 Y338 Y344 | S29-E340 VanDerWaalsContact OG-CD 3.27Å; S29-E340 PolarHBondContact OG-OE1 2.84Å; S29-E340 PolarHBondContact OG-OE2 3.49Å; L30-E340 HydrophobicContact CB-CG 4.28Å; L30-E340 HydrophobicContact CD1-CG 4.32Å; L30-E340 PolarHBondContact N-OE1 3.23Å; L30-E340 PolarHBondContact N-OE2 3.25Å; S31-E340 PolarHBondContact N-OE1 3.15Å; L336-E340 WeakPolarHBondContact O-CB 3.31Å; L336-E340 PolarHBondContact O-N 2.8Å; V337-E340 WeakPolarHBondContact O-CA 3.37Å; V337-E340 PolarHBondContact O-N 3.09Å; Y338-E340 PolarHBondContact O-N 2.9Å; E340-Y344 PolarHBondContact O-N 3.04Å |
| 341 | L | 84.4 | Confident | 80.7 | Confident | 62 Ų | 62 | 107.4 Ų | 107.4 | 33% | 0.325 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -70.7 | -43.5 | 174.2 | -68.5 | 167.1 | 0 | 0 | 0 | 112.7 | L30 V337 Y338 R343 Y344 Y345 | L30-L341 HydrophobicContact CD1-CD2 3.79Å; L30-L341 HydrophobicContact CD1-CG 4.07Å; V337-L341 HydrophobicContact CG1-CD1 3.91Å; V337-L341 HydrophobicContact CG1-CG 4.36Å; V337-L341 WeakPolarHBondContact O-CG 3.45Å; V337-L341 PolarHBondContact O-N 3.37Å; Y338-L341 HydrophobicContact CD1-CD1 4.43Å; Y338-L341 PolarHBondContact O-N 3.38Å; L341-R343 VanDerWaalsContact C-N 3.27Å; L341-R343 PolarHBondContact O-N 2.88Å; L341-Y344 WeakPolarHBondContact O-CA 3.44Å; L341-Y344 PolarHBondContact O-N 3.42Å; L341-Y345 HydrophobicContact CD2-CD2 4.45Å; L341-Y345 HydrophobicContact CD2-CE2 3.97Å; L341-Y345 WeakPolarHBondContact O-CD2 3.31Å; L341-Y345 PolarHBondContact O-N 3.49Å |
| 342 | E | 85.2 | Confident | 80.1 | Confident | 146 Ų | 146 | 104.9 Ų | 104.9 | 68% | 0.682 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.2 | -37.2 | 177.6 | -175.1 | 177.4 | -143.8 | 0 | 0 | 111.4 | Y338 Y344 G346 | Y338-E342 VanDerWaalsContact O-CB 3.28Å; Y338-E342 WeakPolarHBondContact O-CB 3.44Å; Y338-E342 PolarHBondContact O-N 3.44Å; E342-Y344 VanDerWaalsContact C-N 3.29Å; E342-Y344 PolarHBondContact O-N 3.21Å; E342-G346 WeakPolarHBondContact O-CA 3.49Å; E342-G346 PolarHBondContact O-N 2.92Å |
| 343 | R | 80.9 | Confident | 79.3 | Confident | 171 Ų | 171 | 105.8 Ų | 105.8 | 65% | 0.645 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -75.1 | -11.9 | 172.1 | -69.9 | -170 | -49 | -93.8 | -5.1 | 114.9 | A339 L341 | A339-R343 WeakPolarHBondContact O-CG 3.36Å; A339-R343 PolarHBondContact O-NE 3.24Å; A339-R343 PolarHBondContact O-NH1 2.91Å; L341-R343 VanDerWaalsContact C-N 3.27Å; L341-R343 PolarHBondContact O-N 2.88Å |
| 344 | Y | 75.2 | Confident | 78.7 | Confident | 116 Ų | 116 | 105 Ų | 105 | 46% | 0.455 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -97.9 | -35.1 | -179.8 | -171.2 | -91.3 | 0 | 0 | 0 | 111.7 | E340 L341 E342 | E340-Y344 PolarHBondContact O-N 3.04Å; L341-Y344 WeakPolarHBondContact O-CA 3.44Å; L341-Y344 PolarHBondContact O-N 3.42Å; E342-Y344 VanDerWaalsContact C-N 3.29Å; E342-Y344 PolarHBondContact O-N 3.21Å |
| 345 | Y | 71 | Confident | 78.5 | Confident | 156 Ų | 156 | 103.9 Ų | 103.9 | 61% | 0.612 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -107.6 | -7.1 | -179.7 | -63.2 | -73.4 | 0 | 0 | 0 | 114.4 | L341 | L341-Y345 HydrophobicContact CD2-CD2 4.45Å; L341-Y345 HydrophobicContact CD2-CE2 3.97Å; L341-Y345 WeakPolarHBondContact O-CD2 3.31Å; L341-Y345 PolarHBondContact O-N 3.49Å |
| 346 | G | 71.5 | Confident | 77.7 | Confident | 49 Ų | 49 | 103 Ų | 103 | 51% | 0.505 | 51% | 0.505 | S | S | . | . | S | Bend | trans | -82.9 | -10 | -174.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | E342 P348 | E342-G346 WeakPolarHBondContact O-CA 3.49Å; E342-G346 PolarHBondContact O-N 2.92Å; G346-P348 WeakPolarHBondContact O-CD 3.46Å |
| 347 | D | 71 | Confident | 77 | Confident | 109 Ų | 109 | 103.4 Ų | 103.4 | 58% | 0.583 | 50% | 0.503 | S | S | * | . | trans | -99.8 | 86.8 | 172.3 | -80.5 | -36 | 0 | 0 | 0 | 109.6 | Q349 K350 | D347-Q349 PolarHBondContact O-N 3.07Å; D347-K350 HydrophobicContact CB-CB 4.19Å; D347-K350 PolarHBondContact O-N 2.97Å; D347-K350 VanDerWaalsContact O-N 3.1Å | ||
| 348 | P | 63.6 | Low | 76.4 | Confident | 91 Ų | 91 | 107.7 Ų | 107.7 | 59% | 0.591 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.9 | -33.9 | -176.2 | 24.2 | -34.7 | 0 | 0 | 0 | 112.5 | G346 K350 L351 E352 | G346-P348 WeakPolarHBondContact O-CD 3.46Å; P348-K350 VanDerWaalsContact C-N 3.25Å; P348-K350 PolarHBondContact O-N 2.78Å; P348-L351 PolarHBondContact O-N 3.37Å; P348-E352 WeakPolarHBondContact O-CB 3.45Å; P348-E352 PolarHBondContact O-N 2.94Å |
| 349 | Q | 63.7 | Low | 76 | Confident | 152 Ų | 152 | 105.6 Ų | 105.6 | 71% | 0.71 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.2 | -33.3 | 177.5 | -64.5 | -171 | -56.1 | 0 | 0 | 112.9 | D347 E352 E353 | D347-Q349 PolarHBondContact O-N 3.07Å; Q349-E352 PolarHBondContact O-N 3.46Å; Q349-E353 PolarHBondContact O-N 2.72Å |
| 350 | K | 69.7 | Low | 75.7 | Confident | 107 Ų | 107 | 109.7 Ų | 109.7 | 47% | 0.465 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -72.6 | -39.8 | 178.4 | -173.9 | -174.6 | 169.3 | -69.7 | 0 | 111.1 | D347 P348 E352 E353 E354 | D347-K350 HydrophobicContact CB-CB 4.19Å; D347-K350 PolarHBondContact O-N 2.97Å; D347-K350 VanDerWaalsContact O-N 3.1Å; P348-K350 VanDerWaalsContact C-N 3.25Å; P348-K350 PolarHBondContact O-N 2.78Å; K350-E352 VanDerWaalsContact C-N 3.28Å; K350-E353 PolarHBondContact O-N 3.18Å; K350-E354 IonicContact NZ-OE2 2.68Å; K350-E354 PolarHBondContact NZ-OE2 3.42Å; K350-E354 VanDerWaalsContact O-CB 3.31Å; K350-E354 WeakPolarHBondContact O-CB 3.37Å; K350-E354 PolarHBondContact O-N 2.88Å |
| 351 | L | 69.9 | Low | 75.5 | Confident | 101 Ų | 101 | 114.3 Ų | 114.3 | 53% | 0.529 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.7 | -35.8 | 174 | -174.4 | 68.5 | 0 | 0 | 0 | 110.9 | P348 E354 V355 | P348-L351 PolarHBondContact O-N 3.37Å; L351-E354 PolarHBondContact O-N 3.48Å; L351-V355 WeakPolarHBondContact O-CB 3.44Å; L351-V355 VanDerWaalsContact O-CG2 3.3Å; L351-V355 WeakPolarHBondContact O-CG2 3.2Å; L351-V355 PolarHBondContact O-N 2.75Å |
| 352 | E | 74.2 | Confident | 75.1 | Confident | 121 Ų | 121 | 116.2 Ų | 116.2 | 57% | 0.565 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -68.4 | -40 | 175.9 | -167.3 | 170.3 | -150.7 | 0 | 0 | 112.4 | P348 Q349 K350 M356 | P348-E352 WeakPolarHBondContact O-CB 3.45Å; P348-E352 PolarHBondContact O-N 2.94Å; Q349-E352 PolarHBondContact O-N 3.46Å; K350-E352 VanDerWaalsContact C-N 3.28Å; E352-M356 HydrophobicContact CG-CE 4.03Å; E352-M356 WeakPolarHBondContact O-CB 3.3Å; E352-M356 WeakPolarHBondContact O-CE 3.23Å; E352-M356 PolarHBondContact O-N 3.05Å |
| 353 | E | 74.8 | Confident | 74.8 | Confident | 121 Ų | 121 | 116.2 Ų | 116.2 | 57% | 0.565 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -64.1 | -40.1 | 169.2 | -80.5 | -170.5 | 132.2 | 0 | 0 | 112.9 | Q349 K350 M356 Q357 | Q349-E353 PolarHBondContact O-N 2.72Å; K350-E353 PolarHBondContact O-N 3.18Å; E353-M356 PolarHBondContact O-N 2.83Å; E353-Q357 WeakPolarHBondContact O-CG 3.16Å; E353-Q357 PolarHBondContact O-N 2.9Å |
| 354 | E | 75.7 | Confident | 74.7 | Confident | 88 Ų | 88 | 114.5 Ų | 114.5 | 41% | 0.411 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -68.7 | -42.6 | -178.8 | -161.8 | 154.5 | -173.4 | 0 | 0 | 110.5 | K350 L351 Q357 E358 | K350-E354 IonicContact NZ-OE2 2.68Å; K350-E354 PolarHBondContact NZ-OE2 3.42Å; K350-E354 VanDerWaalsContact O-CB 3.31Å; K350-E354 WeakPolarHBondContact O-CB 3.37Å; K350-E354 PolarHBondContact O-N 2.88Å; L351-E354 PolarHBondContact O-N 3.48Å; E354-Q357 PolarHBondContact O-N 3.06Å; E354-E358 PolarHBondContact O-N 3.19Å; E354-E358 VanDerWaalsContact O-N 3.12Å |
| 355 | V | 78.8 | Confident | 74.6 | Confident | 71 Ų | 71 | 113.3 Ų | 113.3 | 43% | 0.43 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -66.6 | -38.1 | 172.3 | 170 | 0 | 0 | 0 | 0 | 112.4 | L351 Q357 E358 L359 | L351-V355 WeakPolarHBondContact O-CB 3.44Å; L351-V355 VanDerWaalsContact O-CG2 3.3Å; L351-V355 WeakPolarHBondContact O-CG2 3.2Å; L351-V355 PolarHBondContact O-N 2.75Å; V355-Q357 VanDerWaalsContact C-N 3.32Å; V355-Q357 PolarHBondContact O-N 3.24Å; V355-E358 PolarHBondContact O-N 2.84Å; V355-L359 HydrophobicContact CG1-CD1 3.99Å; V355-L359 HydrophobicContact CG1-CG 4.45Å; V355-L359 WeakPolarHBondContact O-CB 3.35Å; V355-L359 VanDerWaalsContact O-CG 3.31Å; V355-L359 WeakPolarHBondContact O-CG 3.02Å; V355-L359 PolarHBondContact O-N 3.36Å |
| 356 | M | 75.4 | Confident | 74.7 | Confident | 109 Ų | 109 | 110 Ų | 110 | 54% | 0.537 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -61.3 | -39.8 | 173.3 | -99.5 | -177.3 | -76.8 | 0 | 0 | 112.1 | E352 E353 L359 D360 | E352-M356 HydrophobicContact CG-CE 4.03Å; E352-M356 WeakPolarHBondContact O-CB 3.3Å; E352-M356 WeakPolarHBondContact O-CE 3.23Å; E352-M356 PolarHBondContact O-N 3.05Å; E353-M356 PolarHBondContact O-N 2.83Å; M356-L359 PolarHBondContact O-N 2.82Å; M356-D360 PolarHBondContact O-N 2.75Å |
| 357 | Q | 77.4 | Confident | 74.7 | Confident | 134 Ų | 134 | 110.7 Ų | 110.7 | 63% | 0.626 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -69.5 | -38 | 179 | -73.4 | 171.6 | 44.7 | 0 | 0 | 112.5 | E353 E354 V355 L359 E361 | E353-Q357 WeakPolarHBondContact O-CG 3.16Å; E353-Q357 PolarHBondContact O-N 2.9Å; E354-Q357 PolarHBondContact O-N 3.06Å; V355-Q357 VanDerWaalsContact C-N 3.32Å; V355-Q357 PolarHBondContact O-N 3.24Å; Q357-L359 VanDerWaalsContact C-N 3.33Å; Q357-E361 PolarHBondContact O-N 3.02Å |
| 358 | E | 79.3 | Confident | 74.4 | Confident | 143 Ų | 143 | 111.3 Ų | 111.3 | 67% | 0.668 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -65.8 | -34.1 | 172.1 | -70.1 | -168.1 | 159.2 | 0 | 0 | 112.4 | E354 V355 L362 | E354-E358 PolarHBondContact O-N 3.19Å; E354-E358 VanDerWaalsContact O-N 3.12Å; V355-E358 PolarHBondContact O-N 2.84Å; E358-L362 VanDerWaalsContact O-CB 3.3Å; E358-L362 WeakPolarHBondContact O-CB 3.47Å; E358-L362 PolarHBondContact O-N 3.2Å |
| 359 | L | 79.3 | Confident | 74.5 | Confident | 102 Ų | 102 | 113 Ų | 113 | 53% | 0.534 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -70.6 | -43.3 | 174.9 | -72.7 | 170.8 | 0 | 0 | 0 | 112.5 | V355 M356 Q357 E361 L362 E363 | V355-L359 HydrophobicContact CG1-CD1 3.99Å; V355-L359 HydrophobicContact CG1-CG 4.45Å; V355-L359 WeakPolarHBondContact O-CB 3.35Å; V355-L359 VanDerWaalsContact O-CG 3.31Å; V355-L359 WeakPolarHBondContact O-CG 3.02Å; V355-L359 PolarHBondContact O-N 3.36Å; M356-L359 PolarHBondContact O-N 2.82Å; Q357-L359 VanDerWaalsContact C-N 3.33Å; L359-E361 VanDerWaalsContact C-N 3.34Å; L359-E361 PolarHBondContact O-N 3.31Å; L359-L362 PolarHBondContact O-N 2.99Å; L359-E363 PolarHBondContact O-N 3.25Å |
| 360 | D | 82.2 | Confident | 74.5 | Confident | 120 Ų | 120 | 113 Ų | 113 | 64% | 0.642 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -59.1 | -43.1 | 174.3 | -109.6 | 33.8 | 0 | 0 | 0 | 111.4 | M356 K364 | M356-D360 PolarHBondContact O-N 2.75Å; D360-K364 VanDerWaalsContact O-CB 3.3Å; D360-K364 WeakPolarHBondContact O-CB 3.25Å; D360-K364 PolarHBondContact O-N 3.47Å; D360-K364 VanDerWaalsContact O-N 3.1Å |
| 361 | E | 83.4 | Confident | 73.5 | Confident | 131 Ų | 131 | 115.1 Ų | 115.1 | 61% | 0.612 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -68.8 | -35.4 | 177.1 | -173.8 | 160.5 | -136.7 | 0 | 0 | 111.9 | Q357 L359 L365 | Q357-E361 PolarHBondContact O-N 3.02Å; L359-E361 VanDerWaalsContact C-N 3.34Å; L359-E361 PolarHBondContact O-N 3.31Å; E361-L365 HydrophobicContact CG-CD1 4.27Å; E361-L365 WeakPolarHBondContact O-CB 3.49Å; E361-L365 VanDerWaalsContact O-CG 3.31Å; E361-L365 WeakPolarHBondContact O-CG 3.31Å; E361-L365 PolarHBondContact O-N 3.45Å |
| 362 | L | 75.3 | Confident | 72.5 | Confident | 103 Ų | 103 | 119.1 Ų | 119.1 | 54% | 0.539 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -72.2 | -41.7 | 176.4 | -170.4 | 65.7 | 0 | 0 | 0 | 112.8 | E358 L359 K364 L365 V366 | E358-L362 VanDerWaalsContact O-CB 3.3Å; E358-L362 WeakPolarHBondContact O-CB 3.47Å; E358-L362 PolarHBondContact O-N 3.2Å; L359-L362 PolarHBondContact O-N 2.99Å; L362-K364 VanDerWaalsContact C-N 3.32Å; L362-K364 PolarHBondContact O-N 3.24Å; L362-L365 PolarHBondContact O-N 2.85Å; L362-V366 WeakPolarHBondContact O-CG2 3.41Å; L362-V366 PolarHBondContact O-N 2.92Å |
| 363 | E | 78.6 | Confident | 70.9 | Confident | 146 Ų | 146 | 121.2 Ų | 121.2 | 68% | 0.682 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -60.7 | -44.2 | 174.7 | -178.9 | 171.6 | 163.7 | 0 | 0 | 110.5 | L359 L365 V366 A367 | L359-E363 PolarHBondContact O-N 3.25Å; E363-L365 PolarHBondContact O-N 3.33Å; E363-V366 WeakPolarHBondContact O-CB 3.33Å; E363-V366 PolarHBondContact O-N 3.36Å; E363-V366 VanDerWaalsContact O-N 3.14Å; E363-A367 PolarHBondContact O-N 3.1Å |
| 364 | K | 79 | Confident | 69.1 | Low | 135 Ų | 135 | 123 Ų | 123 | 59% | 0.587 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -60.7 | -42.8 | 174.4 | -175.5 | -176.9 | 172.7 | -165.5 | 0 | 112.6 | D360 L362 V366 A367 D368 | D360-K364 VanDerWaalsContact O-CB 3.3Å; D360-K364 WeakPolarHBondContact O-CB 3.25Å; D360-K364 PolarHBondContact O-N 3.47Å; D360-K364 VanDerWaalsContact O-N 3.1Å; L362-K364 VanDerWaalsContact C-N 3.32Å; L362-K364 PolarHBondContact O-N 3.24Å; K364-V366 VanDerWaalsContact C-N 3.29Å; K364-V366 PolarHBondContact O-N 3.1Å; K364-A367 PolarHBondContact O-N 2.89Å; K364-D368 WeakPolarHBondContact O-CB 3.42Å; K364-D368 PolarHBondContact O-N 2.85Å |
| 365 | L | 73.3 | Confident | 67.1 | Low | 90 Ų | 90 | 123.7 Ų | 123.7 | 47% | 0.471 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -66.2 | -29.2 | 174.9 | -78.7 | 167.4 | 0 | 0 | 0 | 112.9 | E361 L362 E363 N369 | E361-L365 HydrophobicContact CG-CD1 4.27Å; E361-L365 WeakPolarHBondContact O-CB 3.49Å; E361-L365 VanDerWaalsContact O-CG 3.31Å; E361-L365 WeakPolarHBondContact O-CG 3.31Å; E361-L365 PolarHBondContact O-N 3.45Å; L362-L365 PolarHBondContact O-N 2.85Å; E363-L365 PolarHBondContact O-N 3.33Å; L365-N369 PolarHBondContact O-ND2 3.32Å |
| 366 | V | 73.6 | Confident | 65 | Low | 88 Ų | 88 | 126.5 Ų | 126.5 | 53% | 0.533 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -71.1 | -45.4 | 171.4 | 169.6 | 0 | 0 | 0 | 0 | 110.7 | L362 E363 K364 N369 M370 | L362-V366 WeakPolarHBondContact O-CG2 3.41Å; L362-V366 PolarHBondContact O-N 2.92Å; E363-V366 WeakPolarHBondContact O-CB 3.33Å; E363-V366 PolarHBondContact O-N 3.36Å; E363-V366 VanDerWaalsContact O-N 3.14Å; K364-V366 VanDerWaalsContact C-N 3.29Å; K364-V366 PolarHBondContact O-N 3.1Å; V366-N369 PolarHBondContact O-N 3.06Å; V366-N369 VanDerWaalsContact O-N 3.13Å; V366-M370 PolarHBondContact O-N 3.27Å |
| 367 | A | 70 | Confident | 63 | Low | 62 Ų | 62 | 127.3 Ų | 127.3 | 51% | 0.512 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -60.3 | -45.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | E363 K364 N369 M370 | E363-A367 PolarHBondContact O-N 3.1Å; K364-A367 PolarHBondContact O-N 2.89Å; A367-N369 PolarHBondContact O-N 2.81Å; A367-N369 VanDerWaalsContact O-N 3.09Å; A367-M370 PolarHBondContact O-N 3.18Å; A367-M370 VanDerWaalsContact O-N 3.13Å |
| 368 | D | 66.3 | Low | 60.8 | Low | 123 Ų | 123 | 127.6 Ų | 127.6 | 66% | 0.658 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | -11.5 | 177.3 | -78.1 | -19.6 | 0 | 0 | 0 | 113.5 | K364 | K364-D368 WeakPolarHBondContact O-CB 3.42Å; K364-D368 PolarHBondContact O-N 2.85Å |
| 369 | N | 64.1 | Low | 58.4 | Low | 127 Ų | 127 | 127.1 Ų | 127.1 | 68% | 0.679 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.8 | -1.1 | 176.4 | -81.5 | -83 | 0 | 0 | 0 | 114.4 | L365 V366 A367 I371 | L365-N369 PolarHBondContact O-ND2 3.32Å; V366-N369 PolarHBondContact O-N 3.06Å; V366-N369 VanDerWaalsContact O-N 3.13Å; A367-N369 PolarHBondContact O-N 2.81Å; A367-N369 VanDerWaalsContact O-N 3.09Å; N369-I371 PolarHBondContact O-N 2.86Å |
| 370 | M | 65.2 | Low | 56.1 | Low | 152 Ų | 152 | 128.9 Ų | 128.9 | 75% | 0.749 | 69% | 0.688 | S | S | * | * | trans | -82.7 | 99.1 | 175 | -70.3 | -167.3 | 67 | 0 | 0 | 111.2 | V366 A367 | V366-M370 PolarHBondContact O-N 3.27Å; A367-M370 PolarHBondContact O-N 3.18Å; A367-M370 VanDerWaalsContact O-N 3.13Å | ||
| 371 | I | 47 | Very low | 53.6 | Low | 151 Ų | 151 | 128.5 Ų | 128.5 | 77% | 0.774 | 69% | 0.689 | S | S | * | * | trans | -81 | 126.9 | 171.3 | -60.4 | 176.5 | 0 | 0 | 0 | 109.5 | N369 D373 | N369-I371 PolarHBondContact O-N 2.86Å; I371-D373 PolarHBondContact O-N 3.06Å | ||
| 372 | E | 50.1 | Low | 51.2 | Low | 184 Ų | 184 | 131 Ų | 131 | 86% | 0.86 | 70% | 0.701 | S | S | * | * | trans | -76 | 98.4 | 175.8 | -63.4 | 179.7 | 142.8 | 0 | 0 | 111.1 | D374 | E372-D374 VanDerWaalsContact C-N 3.31Å; E372-D374 PolarHBondContact O-N 3.09Å | ||
| 373 | D | 40.2 | Very low | 49 | Very low | 166 Ų | 166 | 130.2 Ų | 130.2 | 89% | 0.888 | 71% | 0.709 | S | S | * | * | trans | -76.7 | 74.9 | 172.3 | -100.4 | -21.2 | 0 | 0 | 0 | 111 | I371 | I371-D373 PolarHBondContact O-N 3.06Š| ||
| 374 | D | 36.8 | Very low | 46.7 | Very low | 157 Ų | 157 | 132.4 Ų | 132.4 | 84% | 0.84 | 72% | 0.72 | S | S | * | * | trans | -97.7 | 127.1 | -177.2 | -160 | 24.8 | 0 | 0 | 0 | 112.8 | E372 | E372-D374 VanDerWaalsContact C-N 3.31Å; E372-D374 PolarHBondContact O-N 3.09Å | ||
| 375 | S | 34.5 | Very low | 44.4 | Very low | 104 Ų | 104 | 130.8 Ų | 130.8 | 73% | 0.727 | 73% | 0.725 | S | S | * | * | trans | -151.3 | 136.2 | 179.1 | 79.4 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 376 | V | 35.1 | Very low | 42.1 | Very low | 129 Ų | 129 | 131.4 Ų | 131.4 | 78% | 0.782 | 74% | 0.737 | S | S | * | * | trans | 86.9 | 74 | 162 | -161.7 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 377 | V | 33.3 | Very low | 40 | Very low | 126 Ų | 126 | 132.5 Ų | 132.5 | 76% | 0.764 | 75% | 0.749 | S | S | * | * | 35.9 | 131.3 | 125.3 | -152.2 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 378 | I | 30 | Very low | 38 | Very low | 141 Ų | 141 | 135.7 Ų | 135.7 | 72% | 0.723 | 76% | 0.762 | S | S | * | * | 170.7 | 129.8 | 118.3 | -88.9 | 170.3 | 0 | 0 | 0 | 114.6 | |||||
| 379 | N | 30.1 | Very low | 36.2 | Very low | 133 Ų | 133 | 133.7 Ų | 133.7 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | trans | 70.8 | 147.4 | 158.6 | -72.5 | -6.1 | 0 | 0 | 0 | 120.7 | ||||
| 380 | I | 30.3 | Very low | 34.4 | Very low | 138 Ų | 138 | 133.5 Ų | 133.5 | 71% | 0.708 | 78% | 0.779 | S | S | * | * | cis | -167 | 160.8 | -16.9 | -119.7 | 169.4 | 0 | 0 | 0 | 110.3 | ||||
| 381 | V | 30.4 | Very low | 32.8 | Very low | 112 Ų | 112 | 131.6 Ų | 131.6 | 68% | 0.679 | 78% | 0.781 | S | S | * | * | trans | 87.6 | 111 | 174.8 | -168.6 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 382 | E | 31.5 | Very low | 32.6 | Very low | 184 Ų | 184 | 130 Ų | 130 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | 27.7 | 150.8 | 127.9 | -43.5 | 174.3 | 157.2 | 0 | 0 | 121.7 | |||||
| 383 | A | 28.9 | Very low | 31.6 | Very low | 86 Ų | 86 | 126 Ų | 126 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | cis | -153.9 | 150.2 | 18.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 384 | E | 31.7 | Very low | 31.2 | Very low | 193 Ų | 193 | 128 Ų | 128 | 90% | 0.902 | 77% | 0.773 | S | S | * | * | trans | 34.1 | 147.9 | 145.4 | -52.5 | -165.6 | 156.8 | 0 | 0 | 122.5 | ||||
| 385 | S | 29.5 | Very low | 30.9 | Very low | 100 Ų | 100 | 129.4 Ų | 129.4 | 70% | 0.699 | 78% | 0.775 | S | S | * | * | cis | -162.9 | 145.5 | 37.2 | 60 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 386 | S | 26.2 | Very low | 32.2 | Very low | 103 Ų | 103 | 129.7 Ų | 129.7 | 72% | 0.72 | 77% | 0.774 | S | S | * | * | trans | 47 | 117.7 | 150.9 | 60.3 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 387 | S | 29.5 | Very low | 32.5 | Very low | 112 Ų | 112 | 129.6 Ų | 129.6 | 78% | 0.783 | 78% | 0.776 | S | S | * | * | 79 | 136.3 | 74.4 | -155.9 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 388 | T | 28.2 | Very low | 32.4 | Very low | 129 Ų | 129 | 129 Ų | 129 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | cis | -161.8 | 144.9 | 49.8 | 51.4 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 389 | G | 27.2 | Very low | 32.7 | Very low | 81 Ų | 81 | 132.2 Ų | 132.2 | 84% | 0.835 | 78% | 0.778 | S | S | * | * | trans | 68.4 | 154.3 | 147.4 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 390 | S | 27.3 | Very low | 32.7 | Very low | 122 Ų | 122 | 135.8 Ų | 135.8 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | cis | -159.4 | 155.9 | -7.6 | 62.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 391 | S | 31.6 | Very low | 33.5 | Very low | 112 Ų | 112 | 134 Ų | 134 | 78% | 0.783 | 78% | 0.779 | S | S | * | * | trans | -99 | 173.3 | 170.2 | -44 | 0 | 0 | 0 | 0 | 111 | ||||
| 392 | P | 43.2 | Very low | 33.6 | Very low | 117 Ų | 117 | 137.4 Ų | 137.4 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | -155.1 | 140.1 | 86 | 39.2 | -19.3 | 0 | 0 | 0 | 118.6 | |||||
| 393 | S | 27.5 | Very low | 33.4 | Very low | 101 Ų | 101 | 135.6 Ų | 135.6 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | trans | 48.5 | 132.1 | 137.4 | 71.2 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 394 | K | 31.9 | Very low | 33.4 | Very low | 208 Ų | 208 | 136.7 Ų | 136.7 | 90% | 0.904 | 78% | 0.776 | S | S | * | * | -156.1 | 145.9 | 104.3 | -108.9 | 169.9 | -174.9 | 175.5 | 0 | 112.1 | |||||
| 395 | E | 31.9 | Very low | 33.5 | Very low | 187 Ų | 187 | 134.2 Ų | 134.2 | 87% | 0.874 | 77% | 0.766 | S | S | * | * | trans | -103.9 | 165.6 | -170.9 | -93.6 | -174.3 | 114.3 | 0 | 0 | 114 | ||||
| 396 | P | 59.9 | Low | 33.5 | Very low | 109 Ų | 109 | 136.3 Ų | 136.3 | 71% | 0.708 | 76% | 0.764 | S | S | * | * | trans | -93.1 | -166.7 | -178.3 | 40.7 | -38.3 | 0 | 0 | 0 | 112.5 | ||||
| 397 | P | 42.4 | Very low | 33.8 | Very low | 128 Ų | 128 | 137 Ų | 137 | 83% | 0.831 | 76% | 0.76 | S | S | * | * | trans | -123.8 | 129.2 | 149.5 | 34.4 | -23.5 | 0 | 0 | 0 | 114 | ||||
| 398 | D | 31.5 | Very low | 33.9 | Very low | 114 Ų | 114 | 138.8 Ų | 138.8 | 61% | 0.61 | 75% | 0.753 | S | S | * | * | trans | -68.8 | 144.1 | 171.4 | 167.4 | 32.9 | 0 | 0 | 0 | 113 | R400 | D398-R400 PolarHBondContact OD1-N 3.4Š| ||
| 399 | K | 35 | Very low | 34.1 | Very low | 207 Ų | 207 | 139.4 Ų | 139.4 | 90% | 0.9 | 75% | 0.748 | S | S | * | * | trans | -144.7 | 88.2 | 150 | -71.6 | -161.6 | 178.5 | 176.7 | 0 | 114.1 | ||||
| 400 | R | 30 | Very low | 34.3 | Very low | 209 Ų | 209 | 142.2 Ų | 142.2 | 79% | 0.789 | 74% | 0.743 | S | S | * | * | trans | -48.3 | 172.7 | 143.6 | -67.8 | 168.5 | 170.9 | -169.4 | -1.5 | 111.9 | D398 | D398-R400 PolarHBondContact OD1-N 3.4Š| ||
| 401 | P | 48 | Very low | 34.5 | Very low | 101 Ų | 101 | 144.8 Ų | 144.8 | 66% | 0.656 | 75% | 0.747 | S | S | * | * | cis | -151.1 | 172.9 | 20 | 45.1 | -25.5 | 0 | 0 | 0 | 120.1 | ||||
| 402 | K | 32.2 | Very low | 34.4 | Very low | 183 Ų | 183 | 147.9 Ų | 147.9 | 80% | 0.796 | 75% | 0.749 | S | S | * | * | trans | 66.5 | 156.5 | 147.4 | -74.5 | 163.5 | 175.3 | -172.1 | 0 | 117.6 | ||||
| 403 | M | 28.3 | Very low | 34.3 | Very low | 146 Ų | 146 | 147 Ų | 147 | 72% | 0.719 | 74% | 0.743 | S | S | * | * | cis | -157.2 | 178.6 | -1.4 | -120.2 | 149.2 | 61.6 | 0 | 0 | 107.4 | ||||
| 404 | T | 29.5 | Very low | 34.2 | Very low | 109 Ų | 109 | 147.8 Ų | 147.8 | 67% | 0.669 | 74% | 0.744 | S | S | * | * | cis | -159.6 | 155.5 | 16.1 | -8.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 405 | M | 32.3 | Very low | 34 | Very low | 140 Ų | 140 | 143.7 Ų | 143.7 | 69% | 0.69 | 74% | 0.736 | S | S | * | * | 11 | 153.1 | 127.7 | -62 | -5.9 | -157.3 | 0 | 0 | 120.9 | |||||
| 406 | E | 30 | Very low | 33.8 | Very low | 145 Ų | 145 | 139.7 Ų | 139.7 | 68% | 0.678 | 73% | 0.729 | S | S | * | * | cis | -168.4 | 159.1 | -1.7 | -111.5 | 157.3 | 178.8 | 0 | 0 | 112.2 | ||||
| 407 | D | 31.7 | Very low | 32.3 | Very low | 116 Ų | 116 | 144.2 Ų | 144.2 | 62% | 0.62 | 74% | 0.737 | S | S | * | * | trans | 67 | 126.8 | 139.1 | -78.4 | 14.3 | 0 | 0 | 0 | 127.8 | ||||
| 408 | K | 33.3 | Very low | 31.6 | Very low | 150 Ų | 150 | 142.5 Ų | 142.5 | 65% | 0.652 | 73% | 0.734 | S | S | * | * | 74.1 | 150.1 | 128.1 | -66.5 | 174.9 | -178.2 | -78.3 | 0 | 120.6 | |||||
| 409 | E | 31.8 | Very low | 31.3 | Very low | 143 Ų | 143 | 143.2 Ų | 143.2 | 67% | 0.668 | 75% | 0.748 | S | S | * | * | cis | -157 | 169.9 | -14.6 | -122.6 | 162.3 | -149.4 | 0 | 0 | 111.7 | ||||
| 410 | N | 31.1 | Very low | 31.1 | Very low | 139 Ų | 139 | 141.2 Ų | 141.2 | 74% | 0.743 | 75% | 0.747 | S | S | * | * | trans | -27.4 | 142.1 | 178.8 | -62.6 | -72.3 | 0 | 0 | 0 | 120.3 | ||||
| 411 | L | 31.6 | Very low | 30.9 | Very low | 176 Ų | 176 | 138.2 Ų | 138.2 | 92% | 0.921 | 75% | 0.752 | S | S | * | * | 175.5 | 153.5 | 103.1 | -89.5 | 173.8 | 0 | 0 | 0 | 113.8 | |||||
| 412 | Q | 28.4 | Very low | 30.1 | Very low | 178 Ų | 178 | 139.5 Ų | 139.5 | 83% | 0.832 | 76% | 0.757 | S | S | * | * | trans | -102 | 179.1 | 173.1 | -113.7 | -168.4 | -6.4 | 0 | 0 | 110.3 | ||||
| 413 | P | 42.2 | Very low | 30.3 | Very low | 98 Ų | 98 | 136.5 Ų | 136.5 | 64% | 0.636 | 76% | 0.756 | S | S | * | * | cis | -142.8 | -166.2 | 14.8 | 40.7 | -18.3 | 0 | 0 | 0 | 117.4 | ||||
| 414 | T | 25.8 | Very low | 30.2 | Very low | 118 Ų | 118 | 133.6 Ų | 133.6 | 72% | 0.724 | 76% | 0.756 | S | S | * | * | trans | 83.2 | 126.6 | 147.8 | 42 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 415 | T | 27.1 | Very low | 30.3 | Very low | 121 Ų | 121 | 137 Ų | 137 | 74% | 0.742 | 76% | 0.764 | S | S | * | * | trans | 71.8 | 95.4 | 139.7 | 54.3 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 416 | S | 27.5 | Very low | 30 | Very low | 104 Ų | 104 | 134.3 Ų | 134.3 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | 67.7 | 123.4 | 121.3 | 67.5 | 0 | 0 | 0 | 0 | 125 | |||||
| 417 | K | 28.8 | Very low | 30.1 | Very low | 203 Ų | 203 | 132.4 Ų | 132.4 | 88% | 0.883 | 76% | 0.758 | S | S | * | * | trans | 75.7 | 112.2 | 147.6 | -68.9 | -177.7 | 178.2 | -179.7 | 0 | 121.1 | ||||
| 418 | A | 27.2 | Very low | 30.1 | Very low | 92 Ų | 92 | 137.1 Ų | 137.1 | 76% | 0.76 | 77% | 0.767 | S | S | * | * | 137.8 | 146.8 | 116.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 419 | S | 26.3 | Very low | 30 | Very low | 130 Ų | 130 | 135.3 Ų | 135.3 | 91% | 0.909 | 77% | 0.772 | S | S | * | * | trans | 79 | 144.7 | 159.4 | -54.4 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 420 | L | 29.2 | Very low | 29.9 | Very low | 165 Ų | 165 | 135 Ų | 135 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | trans | -102.7 | 134.9 | -178.2 | -79.6 | 155.3 | 0 | 0 | 0 | 112.6 | ||||
| 421 | T | 25.9 | Very low | 29.9 | Very low | 146 Ų | 146 | 133.5 Ų | 133.5 | 90% | 0.896 | 78% | 0.78 | S | S | * | * | trans | -169 | 158.5 | 130.9 | 5.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 422 | V | 32.9 | Very low | 30.6 | Very low | 128 Ų | 128 | 131.4 Ų | 131.4 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | trans | -119.9 | 147.5 | -172.8 | -169 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 423 | P | 35.8 | Very low | 30.8 | Very low | 119 Ų | 119 | 128.4 Ų | 128.4 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | -149.3 | 134.1 | 121.4 | 34.4 | -17.2 | 0 | 0 | 0 | 116.2 | |||||
| 424 | A | 25.5 | Very low | 30.6 | Very low | 86 Ų | 86 | 131.3 Ų | 131.3 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | trans | 65.8 | 156.5 | 148.3 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 425 | Q | 31.9 | Very low | 31 | Very low | 179 Ų | 179 | 135.3 Ų | 135.3 | 84% | 0.836 | 78% | 0.784 | S | S | * | * | cis | -170.9 | 163.3 | -18.6 | -106.8 | -153.6 | 92.1 | 0 | 0 | 107 | ||||
| 426 | S | 26.7 | Very low | 31.2 | Very low | 84 Ų | 84 | 133 Ų | 133 | 59% | 0.587 | 78% | 0.777 | S | S | * | * | cis | -172.2 | -169.6 | -10.2 | -169.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 427 | T | 30.9 | Very low | 31.4 | Very low | 106 Ų | 106 | 135.5 Ų | 135.5 | 65% | 0.65 | 78% | 0.782 | S | S | * | * | trans | 74.8 | 140.3 | 169.9 | 73 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 428 | R | 32.3 | Very low | 31.5 | Very low | 214 Ų | 214 | 130.5 Ų | 130.5 | 81% | 0.808 | 77% | 0.773 | S | S | * | * | cis | -151 | 141.4 | -13.8 | -107.5 | 163.6 | 179.9 | 149.3 | -1.6 | 106.8 | ||||
| 429 | C | 32.1 | Very low | 31.7 | Very low | 113 Ų | 113 | 134.6 Ų | 134.6 | 76% | 0.764 | 78% | 0.776 | S | S | * | * | 57.7 | 143.9 | 75.5 | -40.3 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 430 | T | 29.4 | Very low | 32 | Very low | 136 Ų | 136 | 135.5 Ų | 135.5 | 83% | 0.834 | 77% | 0.771 | S | S | * | * | cis | -154.6 | 157.2 | 24.4 | 41.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 431 | S | 30.3 | Very low | 32.3 | Very low | 107 Ų | 107 | 135.9 Ų | 135.9 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | trans | -110.8 | 163.3 | 147.1 | 52.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 432 | P | 45.7 | Very low | 32.7 | Very low | 132 Ų | 132 | 134.1 Ų | 134.1 | 86% | 0.857 | 76% | 0.759 | S | S | * | * | trans | -82 | 156.5 | -163.9 | -14.2 | 31.2 | 0 | 0 | 0 | 116.1 | ||||
| 433 | D | 34.3 | Very low | 32.5 | Very low | 115 Ų | 115 | 135.2 Ų | 135.2 | 62% | 0.615 | 76% | 0.761 | S | S | * | * | trans | -101.3 | 155.7 | 173 | -176.6 | 9.7 | 0 | 0 | 0 | 110.9 | F435 | D433-F435 PolarHBondContact OD1-N 2.83Š| ||
| 434 | L | 36.1 | Very low | 32.1 | Very low | 159 Ų | 159 | 137 Ų | 137 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | trans | -144.5 | 10.6 | 177 | -82.7 | -178.4 | 0 | 0 | 0 | 114.7 | ||||
| 435 | F | 34.9 | Very low | 32.2 | Very low | 202 Ų | 202 | 138 Ų | 138 | 89% | 0.886 | 76% | 0.759 | S | S | * | * | trans | -129.4 | 34.7 | -179.6 | -70.6 | -70.1 | 0 | 0 | 0 | 114.5 | D433 | D433-F435 PolarHBondContact OD1-N 2.83Š| ||
| 436 | A | 31.9 | Very low | 31.9 | Very low | 73 Ų | 73 | 135.4 Ų | 135.4 | 60% | 0.603 | 76% | 0.756 | S | S | * | * | trans | -109.9 | 86 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 437 | D | 31.9 | Very low | 31.9 | Very low | 157 Ų | 157 | 137.1 Ų | 137.1 | 84% | 0.84 | 76% | 0.763 | S | S | * | * | trans | -174.4 | 127.6 | 158.6 | -104.3 | -29.1 | 0 | 0 | 0 | 108.2 | ||||
| 438 | S | 30.3 | Very low | 31.6 | Very low | 98 Ų | 98 | 135.9 Ų | 135.9 | 69% | 0.685 | 76% | 0.764 | S | S | * | * | cis | -150.3 | 177 | -2.9 | -48.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 439 | E | 31.5 | Very low | 31.4 | Very low | 177 Ų | 177 | 133.3 Ų | 133.3 | 83% | 0.827 | 76% | 0.764 | S | S | * | * | trans | -42.1 | 164.3 | 159.6 | -57.9 | 164.9 | 154.3 | 0 | 0 | 113.9 | ||||
| 440 | D | 32.4 | Very low | 31.1 | Very low | 149 Ų | 149 | 132 Ų | 132 | 80% | 0.797 | 76% | 0.756 | S | S | * | * | cis | -160.2 | 163.9 | 11.5 | -135.7 | -8 | 0 | 0 | 0 | 111.7 | ||||
| 441 | E | 36.3 | Very low | 30.9 | Very low | 174 Ų | 174 | 132.6 Ų | 132.6 | 81% | 0.813 | 75% | 0.754 | S | S | * | * | trans | -117.6 | 117.2 | 178 | -105.5 | -84.8 | 179.7 | 0 | 0 | 112.2 | ||||
| 442 | P | 34.4 | Very low | 30.9 | Very low | 108 Ų | 108 | 136.3 Ų | 136.3 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | trans | -102.1 | 100.7 | -179.9 | 35.7 | -30.4 | 0 | 0 | 0 | 114.2 | ||||
| 443 | D | 28.7 | Very low | 30.9 | Very low | 151 Ų | 151 | 134.7 Ų | 134.7 | 81% | 0.807 | 75% | 0.749 | S | S | * | * | trans | -66.3 | 126.2 | 176.7 | -152.3 | -7.2 | 0 | 0 | 0 | 112.9 | ||||
| 444 | I | 27.7 | Very low | 30.7 | Very low | 158 Ų | 158 | 137.6 Ų | 137.6 | 81% | 0.81 | 76% | 0.759 | S | S | * | * | trans | -128.9 | 101.6 | 171.3 | -59.1 | -173.5 | 0 | 0 | 0 | 113.4 | ||||
| 445 | V | 26.3 | Very low | 30.3 | Very low | 105 Ų | 105 | 136.8 Ų | 136.8 | 64% | 0.636 | 76% | 0.756 | S | S | * | * | trans | -45.8 | 141.1 | 169.1 | 179.7 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 446 | T | 26 | Very low | 30.2 | Very low | 125 Ų | 125 | 132.7 Ų | 132.7 | 77% | 0.767 | 75% | 0.747 | S | S | * | * | 178.8 | 118.5 | 125.3 | 26.4 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 447 | T | 26.4 | Very low | 30 | Very low | 121 Ų | 121 | 139.8 Ų | 139.8 | 74% | 0.742 | 76% | 0.758 | S | S | * | * | 54.8 | 141.2 | 87.8 | 70.2 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 448 | A | 25.7 | Very low | 29.9 | Very low | 80 Ų | 80 | 138.7 Ų | 138.7 | 66% | 0.661 | 75% | 0.752 | S | S | * | * | cis | -159.1 | 158.3 | 16.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 449 | I | 27.3 | Very low | 29.7 | Very low | 159 Ų | 159 | 141.2 Ų | 141.2 | 82% | 0.815 | 76% | 0.757 | S | S | * | * | 56.9 | 129.3 | 89.4 | -56.6 | 176.3 | 0 | 0 | 0 | 113.8 | |||||
| 450 | S | 24.7 | Very low | 29.4 | Very low | 85 Ų | 85 | 137.9 Ų | 137.9 | 59% | 0.594 | 75% | 0.754 | S | S | * | * | cis | -175.3 | 169.6 | -10.8 | 52.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 451 | N | 26.3 | Very low | 29.1 | Very low | 150 Ų | 150 | 137.7 Ų | 137.7 | 80% | 0.802 | 75% | 0.75 | S | S | * | * | 155.8 | 113.4 | 126.1 | -77.1 | -18.9 | 0 | 0 | 0 | 115.6 | |||||
| 452 | E | 30.1 | Very low | 28.9 | Very low | 184 Ų | 184 | 138.4 Ų | 138.4 | 86% | 0.86 | 75% | 0.75 | S | S | * | * | trans | -68.8 | 171 | 142.8 | -104.5 | 174.9 | -167.5 | 0 | 0 | 109.7 | ||||
| 453 | P | 46.5 | Very low | 28.7 | Very low | 98 Ų | 98 | 137.8 Ų | 137.8 | 64% | 0.636 | 74% | 0.744 | S | S | * | * | cis | -156 | -160.3 | 45.4 | 44.3 | -21 | 0 | 0 | 0 | 117.8 | ||||
| 454 | E | 28.7 | Very low | 28.7 | Very low | 176 Ų | 176 | 139.7 Ų | 139.7 | 82% | 0.822 | 74% | 0.741 | S | S | * | * | trans | 79.6 | 142.2 | 152.5 | -76.9 | 171.9 | -147.6 | 0 | 0 | 119.8 | ||||
| 455 | D | 29 | Very low | 28.7 | Very low | 142 Ų | 142 | 138.9 Ų | 138.9 | 76% | 0.759 | 73% | 0.732 | S | S | * | * | cis | -155.6 | -179.5 | -22.3 | -157.3 | 12.5 | 0 | 0 | 0 | 112.1 | ||||
| 456 | V | 31.5 | Very low | 28.7 | Very low | 117 Ų | 117 | 140.5 Ų | 140.5 | 71% | 0.709 | 74% | 0.737 | S | S | * | * | trans | -70.7 | 164.6 | -173.3 | -143.5 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 457 | R | 28.3 | Very low | 28.8 | Very low | 222 Ų | 222 | 140.8 Ų | 140.8 | 84% | 0.838 | 74% | 0.738 | S | S | * | * | trans | 101.8 | 147.8 | 163.3 | -58.5 | 176.8 | -165.8 | 176 | 7.2 | 114.2 | ||||
| 458 | N | 30.9 | Very low | 28.8 | Very low | 133 Ų | 133 | 139.6 Ų | 139.6 | 71% | 0.711 | 74% | 0.735 | S | S | * | * | cis | -150.6 | -176.4 | 13.7 | -126.6 | -11 | 0 | 0 | 0 | 113.3 | ||||
| 459 | L | 24.7 | Very low | 28.7 | Very low | 152 Ų | 152 | 143.4 Ų | 143.4 | 80% | 0.796 | 74% | 0.742 | S | S | * | * | trans | -32.9 | 153.6 | 170.3 | -73.8 | 72.6 | 0 | 0 | 0 | 115.8 | ||||
| 460 | S | 26.6 | Very low | 28.7 | Very low | 107 Ų | 107 | 139.7 Ų | 139.7 | 75% | 0.748 | 73% | 0.731 | S | S | * | * | -162.7 | 158.5 | 55 | -177.8 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 461 | M | 25.8 | Very low | 29 | Very low | 144 Ų | 144 | 144 Ų | 144 | 71% | 0.709 | 74% | 0.741 | S | S | * | * | trans | -66.2 | 148.2 | 166.5 | -53.3 | 159.1 | 61.8 | 0 | 0 | 113 | ||||
| 462 | K | 31.5 | Very low | 29 | Very low | 190 Ų | 190 | 148 Ų | 148 | 83% | 0.826 | 75% | 0.745 | S | S | * | * | 163.9 | 161.6 | 115.4 | -87.9 | 162.1 | -177.1 | 173.5 | 0 | 112 | |||||
| 463 | V | 29.2 | Very low | 28.8 | Very low | 95 Ų | 95 | 144.4 Ų | 144.4 | 58% | 0.576 | 74% | 0.74 | S | S | * | * | cis | 173.6 | 136.2 | -45.1 | 137.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 464 | Y | 28.7 | Very low | 27.8 | Very low | 191 Ų | 191 | 145 Ų | 145 | 75% | 0.749 | 75% | 0.746 | S | S | * | * | trans | 63.2 | 165.5 | 167.2 | -68.5 | -23.8 | 0 | 0 | 0 | 117.2 | ||||
| 465 | K | 27.8 | Very low | 27.7 | Very low | 140 Ų | 140 | 141.4 Ų | 141.4 | 61% | 0.609 | 74% | 0.741 | S | S | * | * | cis | -153.5 | 143.7 | -16.6 | -111.8 | 162.4 | -176.7 | 173.6 | 0 | 106.6 | ||||
| 466 | N | 27 | Very low | 27.7 | Very low | 139 Ų | 139 | 141.1 Ų | 141.1 | 74% | 0.743 | 74% | 0.744 | S | S | * | * | 57.6 | 159.6 | 91.2 | -57.3 | 26.6 | 0 | 0 | 0 | 115.8 | |||||
| 467 | V | 27.4 | Very low | 27.5 | Very low | 132 Ų | 132 | 139.2 Ų | 139.2 | 80% | 0.8 | 74% | 0.741 | S | S | * | * | trans | 80.9 | 107.5 | -177.3 | -170.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 468 | S | 26.5 | Very low | 27.3 | Very low | 95 Ų | 95 | 137.3 Ų | 137.3 | 66% | 0.664 | 74% | 0.741 | S | S | * | * | cis | 81.8 | 141.4 | 17.3 | -37 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 469 | I | 25.3 | Very low | 27.2 | Very low | 160 Ų | 160 | 138.9 Ų | 138.9 | 82% | 0.821 | 75% | 0.748 | S | S | * | * | trans | 87.5 | 104.8 | 161.2 | -61.3 | 165.4 | 0 | 0 | 0 | 118 | ||||
| 470 | S | 26.8 | Very low | 27.2 | Very low | 82 Ų | 82 | 139 Ų | 139 | 57% | 0.573 | 75% | 0.745 | S | S | * | * | trans | 64.9 | 131.1 | 131.9 | -67.5 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 471 | E | 31.4 | Very low | 27.2 | Very low | 175 Ų | 175 | 141.8 Ų | 141.8 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | 58.2 | 131.5 | 126.9 | -60.7 | 152.9 | -124.3 | 0 | 0 | 121.4 | |||||
| 472 | R | 25 | Very low | 27.2 | Very low | 235 Ų | 235 | 139.3 Ų | 139.3 | 89% | 0.887 | 74% | 0.742 | S | S | * | * | 164.7 | 137.7 | 95.4 | 179.4 | 174.2 | -173.1 | 145.6 | 4.9 | 113.1 | |||||
| 473 | S | 25.5 | Very low | 27.1 | Very low | 107 Ų | 107 | 134.9 Ų | 134.9 | 75% | 0.748 | 74% | 0.735 | S | S | * | * | trans | 140.7 | 125.2 | 154.7 | 67.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 474 | S | 25.7 | Very low | 27 | Very low | 110 Ų | 110 | 134.9 Ų | 134.9 | 77% | 0.769 | 74% | 0.739 | S | S | * | * | cis | 65.6 | 125.9 | 30.2 | -153.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 475 | S | 26.5 | Very low | 26.9 | Very low | 102 Ų | 102 | 133.1 Ų | 133.1 | 71% | 0.713 | 74% | 0.743 | S | S | * | * | cis | -165.6 | 171.7 | 11.7 | 47.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 476 | V | 29.5 | Very low | 26.8 | Very low | 135 Ų | 135 | 132.7 Ų | 132.7 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | trans | 153.7 | 142.1 | 141.3 | 157 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 477 | A | 26.5 | Very low | 27.1 | Very low | 77 Ų | 77 | 134 Ų | 134 | 64% | 0.636 | 75% | 0.749 | S | S | * | * | trans | 64.3 | 136.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 478 | E | 25.2 | Very low | 27.5 | Very low | 183 Ų | 183 | 132.9 Ų | 132.9 | 86% | 0.855 | 74% | 0.744 | S | S | * | * | cis | 66.9 | 125.1 | 45.9 | -58.1 | 171.6 | -165.5 | 0 | 0 | 110.8 | ||||
| 479 | I | 29.3 | Very low | 27.3 | Very low | 165 Ų | 165 | 131.7 Ų | 131.7 | 85% | 0.846 | 74% | 0.736 | S | S | * | * | cis | -141.2 | 158.1 | 46.4 | -76.5 | 163 | 0 | 0 | 0 | 112.2 | ||||
| 480 | E | 24 | Very low | 27.3 | Very low | 156 Ų | 156 | 131.8 Ų | 131.8 | 73% | 0.729 | 73% | 0.733 | S | S | * | * | trans | -71.4 | 161.6 | 175.1 | -66.2 | 172.2 | 124.8 | 0 | 0 | 112.8 | V482 | E480-V482 HydrophobicContact CB-CG2 3.76Å; E480-V482 HydrophobicContact CG-CG2 3.94Å | ||
| 481 | I | 25.9 | Very low | 27.3 | Very low | 165 Ų | 165 | 135.3 Ų | 135.3 | 85% | 0.846 | 74% | 0.744 | S | S | * | * | -160.2 | 126.6 | 77.8 | -76.2 | 150.1 | 0 | 0 | 0 | 106.4 | |||||
| 482 | V | 26.8 | Very low | 27.1 | Very low | 92 Ų | 92 | 131.7 Ų | 131.7 | 56% | 0.558 | 73% | 0.734 | S | S | * | * | cis | 90.3 | 104.8 | 34.8 | -179.6 | 0 | 0 | 0 | 0 | 113.9 | E480 | E480-V482 HydrophobicContact CB-CG2 3.76Å; E480-V482 HydrophobicContact CG-CG2 3.94Å | ||
| 483 | S | 28.2 | Very low | 27.3 | Very low | 96 Ų | 96 | 126.7 Ų | 126.7 | 67% | 0.671 | 73% | 0.73 | S | S | * | * | trans | 68.1 | 170.1 | 153.6 | -56.5 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 484 | S | 28.6 | Very low | 27.3 | Very low | 96 Ų | 96 | 131.2 Ų | 131.2 | 67% | 0.671 | 73% | 0.732 | S | S | * | * | cis | -151.8 | 171.2 | 14.3 | -24.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 485 | N | 26.2 | Very low | 27.5 | Very low | 153 Ų | 153 | 133.3 Ų | 133.3 | 82% | 0.818 | 73% | 0.729 | S | S | * | * | cis | -138.3 | 154 | 15.1 | -97.4 | -49.4 | 0 | 0 | 0 | 112.6 | ||||
| 486 | D | 25.4 | Very low | 27.5 | Very low | 132 Ų | 132 | 134.7 Ų | 134.7 | 71% | 0.706 | 73% | 0.733 | S | S | * | * | trans | -82.9 | 178.9 | 172.5 | -51 | -91.8 | 0 | 0 | 0 | 113.1 | ||||
| 487 | E | 34.2 | Very low | 27.2 | Very low | 165 Ų | 165 | 135.5 Ų | 135.5 | 77% | 0.771 | 73% | 0.726 | S | S | * | * | trans | 24.7 | 143.2 | 135.2 | -80.9 | -81.1 | 134.8 | 0 | 0 | 119.6 | S489 | E487-S489 PolarHBondContact OE2-N 3.47Å; E487-S489 VanDerWaalsContact OE2-N 3.15Å | ||
| 488 | P | 34.4 | Very low | 27.1 | Very low | 109 Ų | 109 | 138 Ų | 138 | 71% | 0.708 | 74% | 0.739 | S | S | * | * | -154.3 | 170.8 | 55.5 | 43.8 | -23.8 | 0 | 0 | 0 | 120.9 | |||||
| 489 | S | 23.7 | Very low | 27.3 | Very low | 70 Ų | 70 | 134.2 Ų | 134.2 | 49% | 0.49 | 73% | 0.732 | S | S | . | * | trans | 101.4 | 116.3 | 138.7 | -70.3 | 0 | 0 | 0 | 0 | 120.6 | E487 | E487-S489 PolarHBondContact OE2-N 3.47Å; E487-S489 VanDerWaalsContact OE2-N 3.15Å | ||
| 490 | Q | 24.5 | Very low | 27.5 | Very low | 163 Ų | 163 | 133.5 Ų | 133.5 | 76% | 0.762 | 73% | 0.73 | S | S | * | * | 61.5 | 129.3 | 126.7 | -53.3 | 165.5 | 55.9 | 0 | 0 | 119.3 | |||||
| 491 | I | 26.8 | Very low | 27.7 | Very low | 155 Ų | 155 | 134.4 Ų | 134.4 | 80% | 0.795 | 74% | 0.735 | S | S | * | * | 180 | 139.8 | 105.7 | -92.3 | 163.7 | 0 | 0 | 0 | 111.8 | |||||
| 492 | T | 27.5 | Very low | 28 | Very low | 99 Ų | 99 | 132 Ų | 132 | 61% | 0.607 | 73% | 0.727 | S | S | * | * | trans | -4 | 126.5 | 172.4 | 61.2 | 0 | 0 | 0 | 0 | 121.3 | Y494 | T492-Y494 HydrophobicContact CG2-CD2 4.37Å; T492-Y494 HydrophobicContact CG2-CE2 4.04Å | ||
| 493 | T | 28 | Very low | 28.2 | Very low | 131 Ų | 131 | 135.9 Ų | 135.9 | 80% | 0.804 | 74% | 0.737 | S | S | * | * | trans | -59.2 | 136.7 | 140.4 | -47.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 494 | Y | 26.6 | Very low | 28.1 | Very low | 202 Ų | 202 | 137.2 Ų | 137.2 | 79% | 0.792 | 74% | 0.741 | S | S | * | * | trans | -138.4 | 117.1 | 157.1 | -97.3 | -77.7 | 0 | 0 | 0 | 110.1 | T492 | T492-Y494 HydrophobicContact CG2-CD2 4.37Å; T492-Y494 HydrophobicContact CG2-CE2 4.04Å | ||
| 495 | E | 28.7 | Very low | 28 | Very low | 154 Ų | 154 | 139 Ų | 139 | 72% | 0.72 | 75% | 0.747 | S | S | * | * | trans | -73.6 | 157.7 | 154.9 | -55.8 | 173.2 | 137.2 | 0 | 0 | 108.6 | ||||
| 496 | V | 26.7 | Very low | 28.2 | Very low | 131 Ų | 131 | 136.2 Ų | 136.2 | 79% | 0.794 | 74% | 0.74 | S | S | * | * | trans | -167 | 119.9 | 134.4 | 140.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 497 | F | 24.6 | Very low | 28.2 | Very low | 151 Ų | 151 | 137.8 Ų | 137.8 | 66% | 0.662 | 75% | 0.748 | S | S | * | * | trans | -9 | 150.1 | 158.5 | -49.6 | -89.2 | 0 | 0 | 0 | 120.7 | ||||
| 498 | S | 23.8 | Very low | 27.9 | Very low | 130 Ų | 130 | 133.8 Ų | 133.8 | 91% | 0.909 | 74% | 0.743 | S | S | * | * | -136.2 | 133.6 | 116.1 | -76 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 499 | S | 29.2 | Very low | 27.6 | Very low | 103 Ų | 103 | 134.3 Ų | 134.3 | 72% | 0.72 | 75% | 0.745 | S | S | * | * | trans | -107.3 | 163.1 | -178.7 | -62.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 500 | D | 32.7 | Very low | 27.8 | Very low | 150 Ų | 150 | 137.9 Ų | 137.9 | 80% | 0.802 | 75% | 0.754 | S | S | * | * | trans | -70.8 | 135.6 | 176.2 | -157.8 | 3.4 | 0 | 0 | 0 | 111.3 | ||||
| 501 | E | 29.7 | Very low | 27.9 | Very low | 176 Ų | 176 | 137.8 Ų | 137.8 | 82% | 0.822 | 75% | 0.753 | S | S | * | * | trans | -158.7 | 152 | 162.3 | -131.3 | -169.9 | -117.3 | 0 | 0 | 112.5 | ||||
| 502 | V | 32.6 | Very low | 27.9 | Very low | 113 Ų | 113 | 139 Ų | 139 | 69% | 0.685 | 75% | 0.753 | S | S | * | * | trans | -133.8 | 135.8 | -157.5 | -168.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 503 | K | 29.6 | Very low | 27.8 | Very low | 175 Ų | 175 | 141.6 Ų | 141.6 | 76% | 0.761 | 76% | 0.762 | S | S | * | * | trans | -167.4 | 146.5 | 155.5 | -105.2 | 135 | -162.4 | 158.8 | 0 | 117.3 | ||||
| 504 | T | 27.3 | Very low | 27.6 | Very low | 123 Ų | 123 | 140 Ų | 140 | 76% | 0.755 | 76% | 0.756 | S | S | * | * | trans | 61 | 116.3 | 157.7 | 50.4 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 505 | V | 25.8 | Very low | 27.6 | Very low | 133 Ų | 133 | 138.7 Ų | 138.7 | 81% | 0.806 | 75% | 0.754 | S | S | * | * | cis | 75.8 | 124.8 | 38.6 | -178.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 506 | S | 29.4 | Very low | 27.5 | Very low | 95 Ų | 95 | 137.6 Ų | 137.6 | 66% | 0.664 | 75% | 0.754 | S | S | * | * | cis | -173.6 | 151.6 | -16 | 55.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 507 | N | 27.4 | Very low | 27.7 | Very low | 165 Ų | 165 | 138.4 Ų | 138.4 | 88% | 0.882 | 75% | 0.753 | S | S | * | * | trans | -170 | 145.8 | 151.1 | -91.1 | -35.5 | 0 | 0 | 0 | 109.3 | ||||
| 508 | A | 27.1 | Very low | 27.9 | Very low | 81 Ų | 81 | 140 Ų | 140 | 67% | 0.669 | 76% | 0.76 | S | S | * | * | cis | -146.4 | 154.6 | 7.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 509 | T | 27.5 | Very low | 28.8 | Very low | 121 Ų | 121 | 138.9 Ų | 138.9 | 74% | 0.742 | 75% | 0.75 | S | S | * | * | trans | 21 | 136.3 | 135.4 | -18.3 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 510 | Q | 28.9 | Very low | 28.8 | Very low | 145 Ų | 145 | 140.7 Ų | 140.7 | 68% | 0.678 | 75% | 0.75 | S | S | * | * | cis | -164.5 | 136.1 | 42.1 | -168.8 | 158.1 | 0.9 | 0 | 0 | 115.3 | ||||
| 511 | E | 26.1 | Very low | 28.7 | Very low | 160 Ų | 160 | 140 Ų | 140 | 75% | 0.748 | 75% | 0.746 | S | S | * | * | trans | 54.2 | 166.3 | 152.8 | -69.8 | 161.2 | -144.6 | 0 | 0 | 123.1 | ||||
| 512 | K | 27.4 | Very low | 28.8 | Very low | 181 Ų | 181 | 137.8 Ų | 137.8 | 79% | 0.787 | 74% | 0.74 | S | S | * | * | -171.5 | 160.9 | -65.8 | -122.1 | -172.2 | 178 | -175.7 | 0 | 111.4 | |||||
| 513 | I | 25.1 | Very low | 28.4 | Very low | 154 Ų | 154 | 140.6 Ų | 140.6 | 79% | 0.79 | 74% | 0.743 | S | S | * | * | trans | 71.2 | 145.9 | 161.6 | -60.4 | 150 | 0 | 0 | 0 | 114.7 | ||||
| 514 | S | 23.2 | Very low | 28.4 | Very low | 98 Ų | 98 | 138 Ų | 138 | 69% | 0.685 | 74% | 0.736 | S | S | * | * | cis | -175.3 | 175 | -26.3 | 69.9 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 515 | F | 26 | Very low | 28.5 | Very low | 173 Ų | 173 | 137.7 Ų | 137.7 | 76% | 0.759 | 73% | 0.73 | S | S | * | * | cis | -167.1 | 159.6 | -11 | -128.4 | -141.5 | 0 | 0 | 0 | 107.9 | ||||
| 516 | D | 27.6 | Very low | 28.6 | Very low | 132 Ų | 132 | 138.6 Ų | 138.6 | 71% | 0.706 | 73% | 0.73 | S | S | * | * | trans | 57.7 | 165.6 | 163 | -45.8 | -27.3 | 0 | 0 | 0 | 117.7 | ||||
| 517 | D | 30.3 | Very low | 28.8 | Very low | 147 Ų | 147 | 140.6 Ų | 140.6 | 79% | 0.786 | 74% | 0.738 | S | S | * | * | cis | -150.3 | -174.4 | -16.9 | -142.6 | -35.4 | 0 | 0 | 0 | 110.6 | ||||
| 518 | K | 29.3 | Very low | 28.9 | Very low | 184 Ų | 184 | 141 Ų | 141 | 80% | 0.8 | 73% | 0.734 | S | S | * | * | trans | -73.7 | 176.7 | 170 | -59.5 | -179.1 | -178.8 | 176.8 | 0 | 112.1 | ||||
| 519 | P | 41.9 | Very low | 29.1 | Very low | 107 Ų | 107 | 144.8 Ų | 144.8 | 70% | 0.695 | 74% | 0.738 | S | S | * | * | cis | -147.3 | -178.3 | 13.5 | 49.1 | -29.9 | 0 | 0 | 0 | 118.1 | ||||
| 520 | I | 30.5 | Very low | 29 | Very low | 142 Ų | 142 | 147.2 Ų | 147.2 | 73% | 0.728 | 74% | 0.739 | S | S | * | * | 36.8 | 130.7 | 127.9 | -61.3 | 168.4 | 0 | 0 | 0 | 118 | |||||
| 521 | D | 30 | Very low | 28.9 | Very low | 136 Ų | 136 | 147 Ų | 147 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | -168.2 | 176.5 | 56.6 | -133.3 | -24.5 | 0 | 0 | 0 | 116.3 | |||||
| 522 | D | 32.1 | Very low | 28.9 | Very low | 128 Ų | 128 | 147.9 Ų | 147.9 | 68% | 0.684 | 75% | 0.749 | S | S | * | * | trans | 60.6 | 109.1 | 147.2 | -81.7 | -24.3 | 0 | 0 | 0 | 126.8 | ||||
| 523 | F | 24.8 | Very low | 28.9 | Very low | 173 Ų | 173 | 145.2 Ų | 145.2 | 76% | 0.759 | 75% | 0.747 | S | S | * | * | 83.7 | 124.8 | 102.7 | -140.7 | -123.1 | 0 | 0 | 0 | 124.7 | |||||
| 524 | I | 29.2 | Very low | 28.9 | Very low | 120 Ų | 120 | 146 Ų | 146 | 62% | 0.615 | 75% | 0.748 | S | S | * | * | trans | 62 | 114 | 149.5 | -82.2 | -166.4 | 0 | 0 | 0 | 118.7 | ||||
| 525 | D | 28.8 | Very low | 29 | Very low | 117 Ų | 117 | 149.5 Ų | 149.5 | 63% | 0.626 | 75% | 0.751 | S | S | * | * | 80.4 | 120.5 | 72.2 | 176 | 38.3 | 0 | 0 | 0 | 113.8 | |||||
| 526 | L | 28.6 | Very low | 29 | Very low | 152 Ų | 152 | 147.5 Ų | 147.5 | 80% | 0.796 | 75% | 0.748 | S | S | * | * | trans | -147.9 | 77.4 | -179.1 | -77.2 | 179 | 0 | 0 | 0 | 110.9 | Q528 | L526-Q528 PolarHBondContact O-N 3.27Å; L526-Q528 VanDerWaalsContact O-N 3.14Å | ||
| 527 | T | 32.6 | Very low | 29 | Very low | 137 Ų | 137 | 149 Ų | 149 | 84% | 0.84 | 75% | 0.751 | S | S | * | * | trans | -69.2 | 95 | 150.3 | 53 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 528 | Q | 29.9 | Very low | 28.9 | Very low | 172 Ų | 172 | 147 Ų | 147 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | trans | -146.3 | 133.6 | 169.8 | -155.1 | 161 | 15.9 | 0 | 0 | 111.8 | L526 | L526-Q528 PolarHBondContact O-N 3.27Å; L526-Q528 VanDerWaalsContact O-N 3.14Å | ||
| 529 | E | 30.5 | Very low | 28.8 | Very low | 161 Ų | 161 | 147.3 Ų | 147.3 | 75% | 0.752 | 75% | 0.75 | S | S | * | * | trans | -88.2 | 178.3 | -180 | -61.9 | 176.1 | 139.4 | 0 | 0 | 111.8 | ||||
| 530 | F | 26.7 | Very low | 28.4 | Very low | 172 Ų | 172 | 147.6 Ų | 147.6 | 75% | 0.754 | 75% | 0.751 | S | S | * | * | trans | 95.8 | 106.9 | 166.8 | -62.3 | -79.8 | 0 | 0 | 0 | 119.3 | ||||
| 531 | D | 26.7 | Very low | 28.1 | Very low | 141 Ų | 141 | 151.7 Ų | 151.7 | 75% | 0.754 | 76% | 0.758 | S | S | * | * | trans | 71.7 | 136 | 133 | -68.2 | -27.7 | 0 | 0 | 0 | 123.9 | ||||
| 532 | M | 25.3 | Very low | 27.8 | Very low | 178 Ų | 178 | 150.9 Ų | 150.9 | 88% | 0.877 | 76% | 0.758 | S | S | * | * | trans | 50.9 | 107.3 | 153.7 | -64 | -164.6 | 70.2 | 0 | 0 | 119.4 | ||||
| 533 | V | 28.1 | Very low | 28 | Very low | 125 Ų | 125 | 149.7 Ų | 149.7 | 76% | 0.758 | 76% | 0.757 | S | S | * | * | trans | -64.4 | 127.1 | 154.6 | 176.8 | 0 | 0 | 0 | 0 | 109.8 | F535 | V533-F535 HydrophobicContact CG1-CB 4.14Å; V533-F535 HydrophobicContact CG1-CD2 4.49Å | ||
| 534 | E | 24.9 | Very low | 28 | Very low | 172 Ų | 172 | 147.9 Ų | 147.9 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | trans | -123.2 | 113 | 145.3 | -166.3 | 173.9 | -143.2 | 0 | 0 | 109.8 | ||||
| 535 | F | 24.9 | Very low | 27.8 | Very low | 171 Ų | 171 | 148.8 Ų | 148.8 | 75% | 0.75 | 76% | 0.761 | S | S | * | * | trans | -98.1 | 117 | -179.4 | -146.6 | -86.3 | 0 | 0 | 0 | 107.8 | V533 E537 | V533-F535 HydrophobicContact CG1-CB 4.14Å; V533-F535 HydrophobicContact CG1-CD2 4.49Å; F535-E537 HydrophobicContact CD1-CG 4.41Å; F535-E537 HydrophobicContact CE1-CG 4.26Å | ||
| 536 | N | 26.5 | Very low | 27.8 | Very low | 130 Ų | 130 | 150.4 Ų | 150.4 | 70% | 0.695 | 77% | 0.768 | S | S | * | * | trans | -129.9 | 95.2 | 177.1 | -93.6 | -56.6 | 0 | 0 | 0 | 111.8 | ||||
| 537 | E | 27.3 | Very low | 27.7 | Very low | 164 Ų | 164 | 147.3 Ų | 147.3 | 77% | 0.766 | 76% | 0.764 | S | S | * | * | trans | -69.4 | 150 | 153.7 | -61.1 | -166.2 | 109.9 | 0 | 0 | 108.7 | F535 | F535-E537 HydrophobicContact CD1-CG 4.41Å; F535-E537 HydrophobicContact CE1-CG 4.26Å | ||
| 538 | S | 28.6 | Very low | 27.4 | Very low | 104 Ų | 104 | 146 Ų | 146 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | cis | -158.8 | 173.5 | 12.8 | 53.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 539 | K | 27.6 | Very low | 27.3 | Very low | 192 Ų | 192 | 142.2 Ų | 142.2 | 84% | 0.835 | 75% | 0.753 | S | S | * | * | trans | 1.3 | 157.7 | 149 | -71.5 | 170.8 | -179.1 | 164.4 | 0 | 120.2 | ||||
| 540 | P | 32.8 | Very low | 27.1 | Very low | 112 Ų | 112 | 142 Ų | 142 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | cis | -143.2 | 178.5 | -23.1 | 39.8 | -21.5 | 0 | 0 | 0 | 115.5 | ||||
| 541 | R | 23.9 | Very low | 27.1 | Very low | 228 Ų | 228 | 139 Ų | 139 | 86% | 0.86 | 75% | 0.748 | S | S | * | * | trans | 55 | 102.7 | 154.1 | -90.1 | -174.2 | 161.2 | 152.5 | -3.7 | 119.8 | ||||
| 542 | T | 23.9 | Very low | 27 | Very low | 119 Ų | 119 | 139.2 Ų | 139.2 | 73% | 0.73 | 75% | 0.749 | S | S | * | * | 28 | 148.5 | 113.8 | 59.7 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 543 | P | 37.5 | Very low | 27.1 | Very low | 104 Ų | 104 | 134.4 Ų | 134.4 | 68% | 0.675 | 73% | 0.733 | S | S | * | * | cis | -142.5 | -171.8 | -3.5 | 35.8 | -13 | 0 | 0 | 0 | 116.6 | ||||
| 544 | N | 24.1 | Very low | 27.1 | Very low | 134 Ų | 134 | 135.2 Ų | 135.2 | 72% | 0.717 | 73% | 0.733 | S | S | * | * | trans | 99.1 | 110.1 | 146.6 | -70.7 | -16.3 | 0 | 0 | 0 | 122.1 | ||||
| 545 | L | 25.5 | Very low | 27.3 | Very low | 139 Ų | 139 | 132 Ų | 132 | 73% | 0.728 | 73% | 0.725 | S | S | * | * | 76.4 | 131.9 | 124.2 | -68.1 | 170.7 | 0 | 0 | 0 | 122.1 | |||||
| 546 | I | 28.2 | Very low | 27.5 | Very low | 152 Ų | 152 | 130 Ų | 130 | 78% | 0.779 | 72% | 0.722 | S | S | * | * | trans | 65.6 | 101.2 | 152 | -58.9 | 160.3 | 0 | 0 | 0 | 114.2 | ||||
| 547 | A | 26.2 | Very low | 27.7 | Very low | 86 Ų | 86 | 130 Ų | 130 | 71% | 0.711 | 72% | 0.722 | S | S | * | * | cis | 96.5 | 138.1 | 48.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 548 | S | 26.9 | Very low | 28 | Very low | 109 Ų | 109 | 128.5 Ų | 128.5 | 76% | 0.762 | 72% | 0.719 | S | S | * | * | trans | 67.5 | 123.5 | 165.7 | -63.8 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 549 | S | 26.4 | Very low | 28 | Very low | 94 Ų | 94 | 130.8 Ų | 130.8 | 66% | 0.657 | 72% | 0.723 | S | S | * | * | 71.9 | 157.3 | 127.7 | -64.6 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 550 | E | 26.5 | Very low | 28 | Very low | 156 Ų | 156 | 125.4 Ų | 125.4 | 73% | 0.729 | 72% | 0.722 | S | S | * | * | cis | -153.4 | 150 | -2.4 | -132 | 136 | -115.7 | 0 | 0 | 111.3 | ||||
| 551 | T | 27.2 | Very low | 27.7 | Very low | 108 Ų | 108 | 127.5 Ų | 127.5 | 66% | 0.663 | 73% | 0.727 | S | S | * | * | trans | 33.8 | 145.5 | 142.2 | 57.7 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 552 | D | 24.5 | Very low | 27.9 | Very low | 147 Ų | 147 | 122.2 Ų | 122.2 | 79% | 0.786 | 72% | 0.72 | S | S | * | * | trans | 75.5 | 150.6 | 134.1 | -73.4 | 2.3 | 0 | 0 | 0 | 121.4 | ||||
| 553 | S | 27.9 | Very low | 28 | Very low | 76 Ų | 76 | 124.7 Ų | 124.7 | 53% | 0.531 | 73% | 0.727 | S | S | . | * | cis | -171.1 | 169.1 | -19.6 | 56.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 554 | N | 27 | Very low | 27.7 | Very low | 142 Ų | 142 | 127 Ų | 127 | 76% | 0.759 | 73% | 0.733 | S | S | * | * | trans | 61.9 | 160.5 | 140.3 | -73.8 | -21.4 | 0 | 0 | 0 | 119.5 | ||||
| 555 | V | 31 | Very low | 27.7 | Very low | 104 Ų | 104 | 126.1 Ų | 126.1 | 63% | 0.63 | 73% | 0.728 | S | S | * | * | cis | -156.8 | 162.2 | -8.7 | -105.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 556 | D | 28.8 | Very low | 27.8 | Very low | 130 Ų | 130 | 128.9 Ų | 128.9 | 70% | 0.695 | 74% | 0.735 | S | S | * | * | trans | 63.1 | 154.8 | 140.1 | -72.6 | -23.8 | 0 | 0 | 0 | 122.2 | ||||
| 557 | N | 31 | Very low | 27.6 | Very low | 129 Ų | 129 | 127 Ų | 127 | 69% | 0.69 | 74% | 0.735 | S | S | * | * | cis | -170.8 | -177.2 | -35.1 | -141 | -51.5 | 0 | 0 | 0 | 110.1 | ||||
| 558 | L | 32.3 | Very low | 27.7 | Very low | 133 Ų | 133 | 128.8 Ų | 128.8 | 70% | 0.696 | 74% | 0.742 | S | S | * | * | trans | 86.8 | 105.3 | 156.1 | -62.8 | 137.9 | 0 | 0 | 0 | 121 | ||||
| 559 | N | 28.3 | Very low | 27.6 | Very low | 153 Ų | 153 | 132.7 Ų | 132.7 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | 76.7 | 128 | 126 | -59.7 | 2.6 | 0 | 0 | 0 | 122.1 | |||||
| 560 | G | 27.8 | Very low | 27.6 | Very low | 79 Ų | 79 | 136.8 Ų | 136.8 | 81% | 0.814 | 76% | 0.757 | S | S | * | * | trans | 166.4 | 64 | 161.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 561 | D | 27.1 | Very low | 27.6 | Very low | 155 Ų | 155 | 135.7 Ų | 135.7 | 83% | 0.829 | 76% | 0.761 | S | S | * | * | trans | -51.9 | 153.2 | 167.8 | -68.3 | -37.6 | 0 | 0 | 0 | 113 | ||||
| 562 | T | 28 | Very low | 27.6 | Very low | 118 Ų | 118 | 135.4 Ų | 135.4 | 72% | 0.724 | 76% | 0.763 | S | S | * | * | cis | -164.9 | 155.9 | -3.7 | 21.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 563 | I | 26.6 | Very low | 27.7 | Very low | 170 Ų | 170 | 134.1 Ų | 134.1 | 87% | 0.872 | 76% | 0.764 | S | S | * | * | trans | 164.8 | 133 | 140.2 | -87.7 | 156.5 | 0 | 0 | 0 | 108.5 | ||||
| 564 | L | 29.9 | Very low | 28.1 | Very low | 153 Ų | 153 | 136.8 Ų | 136.8 | 80% | 0.801 | 78% | 0.78 | S | S | * | * | trans | -85.2 | 135.3 | 175.9 | -69.1 | 162.8 | 0 | 0 | 0 | 109.7 | ||||
| 565 | D | 25.2 | Very low | 28.3 | Very low | 115 Ų | 115 | 136.9 Ų | 136.9 | 62% | 0.615 | 78% | 0.779 | S | S | * | * | 65.9 | 128.2 | 79.6 | -131.9 | 10.2 | 0 | 0 | 0 | 111.5 | |||||
| 566 | F | 26.8 | Very low | 28.8 | Very low | 198 Ų | 198 | 136.1 Ų | 136.1 | 87% | 0.868 | 78% | 0.778 | S | S | * | * | cis | -126.6 | 148.7 | 30 | -71.5 | -102.5 | 0 | 0 | 0 | 115.6 | ||||
| 567 | S | 24.7 | Very low | 29.5 | Very low | 112 Ų | 112 | 138.8 Ų | 138.8 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | trans | -153.5 | 122.4 | 151.1 | 178.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 568 | S | 27.6 | Very low | 30 | Very low | 123 Ų | 123 | 141.2 Ų | 141.2 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | trans | -65.1 | 139.3 | -174.3 | -45.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 569 | Q | 25.4 | Very low | 30.5 | Very low | 192 Ų | 192 | 140.3 Ų | 140.3 | 90% | 0.897 | 79% | 0.786 | S | S | * | * | trans | -150.2 | 136 | 153.9 | -165.4 | 158.1 | 19.8 | 0 | 0 | 112 | ||||
| 570 | E | 26.1 | Very low | 31.1 | Very low | 180 Ų | 180 | 141.6 Ų | 141.6 | 84% | 0.841 | 78% | 0.781 | S | S | * | * | trans | -88.6 | 147.6 | -178.4 | -49.7 | 171.7 | 127.9 | 0 | 0 | 112.2 | ||||
| 571 | V | 25.7 | Very low | 31.7 | Very low | 133 Ų | 133 | 141.9 Ų | 141.9 | 81% | 0.806 | 78% | 0.775 | S | S | * | * | trans | -142.4 | 97.6 | 155.7 | -175.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 572 | S | 28 | Very low | 32.3 | Very low | 102 Ų | 102 | 143.1 Ų | 143.1 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | trans | 27.2 | 136.8 | 150.1 | 68.3 | 0 | 0 | 0 | 0 | 123 | ||||
| 573 | C | 26 | Very low | 32.9 | Very low | 119 Ų | 119 | 146.7 Ų | 146.7 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | -108.9 | 147.3 | 145 | -74.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 574 | P | 37.7 | Very low | 33.3 | Very low | 133 Ų | 133 | 141.4 Ų | 141.4 | 86% | 0.864 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 128.2 | -173.6 | 32.2 | -34 | 0 | 0 | 0 | 113.9 | ||
| 575 | I | 31.3 | Very low | 33.3 | Very low | 144 Ų | 144 | 143.1 Ų | 143.1 | 74% | 0.738 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 150.2 | 175.1 | -68.2 | 171.1 | 0 | 0 | 0 | 111.1 | ||
| 576 | S | 40.7 | Very low | 33.4 | Very low | 87 Ų | 87 | 143.9 Ų | 143.9 | 61% | 0.608 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 136.3 | 179 | 54.2 | 0 | 0 | 0 | 0 | 112.9 | E578 | S576-E578 VanDerWaalsContact C-N 3.29Å; S576-E578 PolarHBondContact O-N 2.78Å; S576-E578 VanDerWaalsContact O-N 3.16Å |
| 577 | K | 42.9 | Very low | 33.5 | Very low | 187 Ų | 187 | 142.6 Ų | 142.6 | 81% | 0.813 | 76% | 0.763 | S | S | * | * | H | α-helix | trans | -74 | -9.5 | -161.2 | -66.6 | 179.3 | 178.8 | 175.9 | 0 | 115.8 | ||
| 578 | E | 41.9 | Very low | 33.6 | Very low | 179 Ų | 179 | 143 Ų | 143 | 84% | 0.836 | 76% | 0.761 | S | S | * | * | H | α-helix | trans | -84 | -25.4 | -174.3 | -60 | -167.4 | 151.1 | 0 | 0 | 113.8 | S576 | S576-E578 VanDerWaalsContact C-N 3.29Å; S576-E578 PolarHBondContact O-N 2.78Å; S576-E578 VanDerWaalsContact O-N 3.16Å |
| 579 | L | 43.4 | Very low | 33.7 | Very low | 114 Ų | 114 | 146.8 Ų | 146.8 | 60% | 0.597 | 76% | 0.762 | S | S | * | * | H | α-helix | trans | -73.6 | -34.7 | 172.5 | -84.9 | 166.6 | 0 | 0 | 0 | 112.3 | A581 K582 | L579-A581 VanDerWaalsContact C-N 3.31Å; L579-A581 PolarHBondContact O-N 3.13Å; L579-K582 PolarHBondContact O-N 3.42Å |
| 580 | Y | 39.5 | Very low | 34.1 | Very low | 181 Ų | 181 | 143.3 Ų | 143.3 | 71% | 0.71 | 76% | 0.756 | S | S | * | * | H | α-helix | trans | -62.8 | -36.7 | -177.6 | -165.2 | -103 | 0 | 0 | 0 | 112.6 | K582 Y583 A584 | Y580-K582 PolarHBondContact O-N 3.13Å; Y580-Y583 PolarHBondContact O-N 2.91Å; Y580-A584 HydrophobicContact CD1-CB 4.09Å; Y580-A584 HydrophobicContact CE1-CB 3.87Å; Y580-A584 WeakPolarHBondContact O-CB 3.41Å; Y580-A584 PolarHBondContact O-N 3.09Å |
| 581 | A | 41.9 | Very low | 34 | Very low | 85 Ų | 85 | 141.6 Ų | 141.6 | 70% | 0.702 | 76% | 0.757 | S | S | * | * | H | α-helix | trans | -66.8 | -18.5 | -177 | 0 | 0 | 0 | 0 | 0 | 114.7 | L579 | L579-A581 VanDerWaalsContact C-N 3.31Å; L579-A581 PolarHBondContact O-N 3.13Å |
| 582 | K | 38.6 | Very low | 33.9 | Very low | 180 Ų | 180 | 146.8 Ų | 146.8 | 78% | 0.783 | 76% | 0.763 | S | S | * | * | H | α-helix | trans | -89.1 | -17.6 | 178.7 | -85.1 | -172.3 | 173.3 | -179.2 | 0 | 114.9 | L579 Y580 | L579-K582 PolarHBondContact O-N 3.42Å; Y580-K582 PolarHBondContact O-N 3.13Å |
| 583 | Y | 40.3 | Very low | 33.7 | Very low | 194 Ų | 194 | 150.2 Ų | 150.2 | 76% | 0.761 | 77% | 0.773 | S | S | * | * | H | α-helix | trans | -121.4 | -8.3 | -174 | -69.5 | -82.9 | 0 | 0 | 0 | 114.4 | Y580 K585 | Y580-Y583 PolarHBondContact O-N 2.91Å; Y583-K585 PolarHBondContact O-N 3.29Å |
| 584 | A | 36.6 | Very low | 33.6 | Very low | 58 Ų | 58 | 149 Ų | 149 | 48% | 0.479 | 77% | 0.772 | S | S | . | * | trans | -78.7 | 53.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y580 | Y580-A584 HydrophobicContact CD1-CB 4.09Å; Y580-A584 HydrophobicContact CE1-CB 3.87Å; Y580-A584 WeakPolarHBondContact O-CB 3.41Å; Y580-A584 PolarHBondContact O-N 3.09Å | ||
| 585 | K | 28.8 | Very low | 33 | Very low | 189 Ų | 189 | 147.6 Ų | 147.6 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | trans | -155.7 | 124.1 | 166.2 | -82.8 | -166.5 | -178 | 179 | 0 | 110.3 | Y583 | Y583-K585 PolarHBondContact O-N 3.29Š| ||
| 586 | V | 27.7 | Very low | 32.9 | Very low | 132 Ų | 132 | 145.1 Ų | 145.1 | 80% | 0.8 | 77% | 0.772 | S | S | * | * | cis | -148.4 | 148.8 | -13.9 | 166.9 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 587 | E | 28.7 | Very low | 32.2 | Very low | 170 Ų | 170 | 150 Ų | 150 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | trans | -125.1 | 163.1 | 166 | -144.8 | -174.3 | -125.8 | 0 | 0 | 111.7 | ||||
| 588 | T | 26 | Very low | 31.6 | Very low | 121 Ų | 121 | 149.8 Ų | 149.8 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | trans | 70.6 | 122.3 | 174.3 | 63.9 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 589 | F | 30.4 | Very low | 31.1 | Very low | 203 Ų | 203 | 150.2 Ų | 150.2 | 89% | 0.89 | 79% | 0.789 | S | S | * | * | trans | -87.4 | 163.7 | 156.6 | -60.7 | -95.4 | 0 | 0 | 0 | 109.3 | ||||
| 590 | P | 35 | Very low | 30.4 | Very low | 118 Ų | 118 | 151.3 Ų | 151.3 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | -155.4 | 157.3 | 96.1 | 37.8 | -18.9 | 0 | 0 | 0 | 118.6 | |||||
| 591 | V | 22.8 | Very low | 30.1 | Very low | 144 Ų | 144 | 152.3 Ų | 152.3 | 87% | 0.873 | 80% | 0.804 | S | S | * | * | trans | 74.5 | 147 | 149.7 | 169.5 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 592 | W | 24.3 | Very low | 29.4 | Very low | 242 Ų | 242 | 154.4 Ų | 154.4 | 92% | 0.917 | 80% | 0.802 | S | S | * | * | trans | -74.7 | 156.1 | -172.4 | -61.6 | -30.3 | 0 | 0 | 0 | 116.5 | ||||
| 593 | N | 23.8 | Very low | 28.7 | Very low | 174 Ų | 174 | 153.2 Ų | 153.2 | 93% | 0.93 | 80% | 0.799 | S | S | * | * | -151.1 | 172.6 | 124 | -106.2 | -53.2 | 0 | 0 | 0 | 110.6 | |||||
| 594 | A | 23.9 | Very low | 27.9 | Very low | 95 Ų | 95 | 151.1 Ų | 151.1 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | -123.3 | 173.7 | -159.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 595 | A | 23.8 | Very low | 27.2 | Very low | 102 Ų | 102 | 152.9 Ų | 152.9 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | trans | 88 | 160.5 | 162 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 596 | A | 29.1 | Very low | 27 | Very low | 92 Ų | 92 | 150.3 Ų | 150.3 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | trans | 65.9 | 95.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 597 | E | 27 | Very low | 26.8 | Very low | 190 Ų | 190 | 148.5 Ų | 148.5 | 89% | 0.888 | 79% | 0.791 | S | S | * | * | 77.2 | 155.9 | 75.2 | -71.3 | -171.6 | -179.7 | 0 | 0 | 115.6 | |||||
| 598 | E | 29.8 | Very low | 26.8 | Very low | 182 Ų | 182 | 146.6 Ų | 146.6 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | trans | 64.5 | 107.2 | -170.7 | -57.1 | -169 | 166.8 | 0 | 0 | 114.1 | ||||
| 599 | E | 32.2 | Very low | 27 | Very low | 189 Ų | 189 | 146.8 Ų | 146.8 | 88% | 0.883 | 78% | 0.776 | S | S | * | * | 61.1 | 107.9 | 55.2 | -54.9 | -157.2 | 147 | 0 | 0 | 113.8 | |||||
| 600 | D | 29.1 | Very low | 27.1 | Very low | 137 Ų | 137 | 145.2 Ų | 145.2 | 73% | 0.733 | 76% | 0.764 | S | S | * | * | -159.4 | 160.8 | 97.6 | -144.1 | -23.9 | 0 | 0 | 0 | 112.5 | |||||
| 601 | K | 32.3 | Very low | 26.6 | Very low | 201 Ų | 201 | 146 Ų | 146 | 87% | 0.874 | 76% | 0.762 | S | S | * | * | trans | -135.9 | 99.7 | 173.2 | -95.1 | -170 | 175.9 | -179.4 | 0 | 109.9 | ||||
| 602 | I | 28 | Very low | 27 | Very low | 129 Ų | 129 | 145.4 Ų | 145.4 | 66% | 0.662 | 75% | 0.753 | S | S | * | * | trans | -127.9 | 97.2 | 176.2 | -57.4 | -176.2 | 0 | 0 | 0 | 111.3 | ||||
| 603 | E | 23.8 | Very low | 27.2 | Very low | 155 Ų | 155 | 142.6 Ų | 142.6 | 72% | 0.724 | 75% | 0.747 | S | S | * | * | 53 | 164.9 | 110.7 | -142 | 175.3 | -152.5 | 0 | 0 | 122.3 | |||||
| 604 | F | 23.8 | Very low | 27.5 | Very low | 151 Ų | 151 | 139 Ų | 139 | 66% | 0.662 | 74% | 0.736 | S | S | * | * | trans | 74.6 | 114.6 | 174.5 | -76.5 | -87.5 | 0 | 0 | 0 | 118.1 | L606 | F604-L606 HydrophobicContact CE1-CD1 4.32Š| ||
| 605 | S | 21.9 | Very low | 27.6 | Very low | 95 Ų | 95 | 139.8 Ų | 139.8 | 66% | 0.664 | 74% | 0.736 | S | S | * | * | cis | 97.3 | 151.7 | 13.4 | -49 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 606 | L | 23.4 | Very low | 27.8 | Very low | 135 Ų | 135 | 142.9 Ų | 142.9 | 71% | 0.707 | 73% | 0.732 | S | S | * | * | trans | 78.5 | 147.5 | 173.6 | -49 | 173.9 | 0 | 0 | 0 | 114.8 | F604 M608 | F604-L606 HydrophobicContact CE1-CD1 4.32Å; L606-M608 HydrophobicContact CD2-SD 4.25Å | ||
| 607 | S | 24.9 | Very low | 27.9 | Very low | 94 Ų | 94 | 146.7 Ų | 146.7 | 66% | 0.657 | 74% | 0.735 | S | S | * | * | cis | -145.7 | 138.4 | 17.3 | -38.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 608 | M | 27.7 | Very low | 28 | Very low | 129 Ų | 129 | 142 Ų | 142 | 64% | 0.635 | 72% | 0.723 | S | S | * | * | 70.1 | 146.1 | 98.9 | -73.5 | 136 | 65.9 | 0 | 0 | 115.3 | L606 | L606-M608 HydrophobicContact CD2-SD 4.25Š| |||
| 609 | E | 30.5 | Very low | 28 | Very low | 125 Ų | 125 | 137.5 Ų | 137.5 | 58% | 0.584 | 71% | 0.711 | S | S | * | * | cis | -168.5 | 171 | 13 | -110.5 | 165 | -146.7 | 0 | 0 | 109.5 | ||||
| 610 | R | 31.5 | Very low | 27.7 | Very low | 171 Ų | 171 | 136 Ų | 136 | 65% | 0.645 | 70% | 0.704 | S | S | * | * | cis | -169.2 | 179.9 | -29.2 | -127.5 | -166.7 | -124.3 | 104.9 | 15.9 | 111.1 | ||||
| 611 | D | 26.1 | Very low | 27.7 | Very low | 135 Ų | 135 | 137.3 Ų | 137.3 | 72% | 0.722 | 71% | 0.706 | S | S | * | * | trans | 98.9 | 140.8 | 154.4 | -72.3 | 0.5 | 0 | 0 | 0 | 120.9 | ||||
| 612 | L | 31 | Very low | 27.5 | Very low | 130 Ų | 130 | 134.5 Ų | 134.5 | 68% | 0.681 | 70% | 0.7 | S | S | * | * | cis | -171.4 | 157.7 | -39.3 | -121.2 | -177.4 | 0 | 0 | 0 | 111.6 | ||||
| 613 | K | 28.4 | Very low | 27.3 | Very low | 183 Ų | 183 | 131.6 Ų | 131.6 | 80% | 0.796 | 70% | 0.701 | S | S | * | * | trans | 75.1 | 150.3 | 166.2 | -62.7 | 166.4 | -174.1 | 171.6 | 0 | 117.8 | ||||
| 614 | S | 29.2 | Very low | 27.6 | Very low | 100 Ų | 100 | 131.1 Ų | 131.1 | 70% | 0.699 | 70% | 0.702 | S | S | * | * | cis | -175.6 | 154.8 | -16.3 | 51.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 615 | S | 26.8 | Very low | 27.7 | Very low | 111 Ų | 111 | 130.8 Ų | 130.8 | 78% | 0.776 | 71% | 0.706 | S | S | * | * | trans | 71.2 | 148.2 | 154.1 | -94 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 616 | E | 27.8 | Very low | 28 | Very low | 166 Ų | 166 | 133 Ų | 133 | 78% | 0.776 | 72% | 0.716 | S | S | * | * | cis | -140.1 | 168.5 | 1.2 | -61.9 | -159.8 | 125.5 | 0 | 0 | 114.3 | ||||
| 617 | Q | 30.8 | Very low | 28.4 | Very low | 173 Ų | 173 | 132.4 Ų | 132.4 | 81% | 0.808 | 72% | 0.718 | S | S | * | * | trans | -5.3 | 155.5 | 147.4 | -66.5 | 173.7 | 22.7 | 0 | 0 | 120.9 | ||||
| 618 | S | 28.5 | Very low | 29.2 | Very low | 91 Ų | 91 | 133 Ų | 133 | 64% | 0.636 | 72% | 0.72 | S | S | * | * | cis | -170.4 | 145.4 | -6.4 | 51.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 619 | S | 29.8 | Very low | 29.1 | Very low | 87 Ų | 87 | 133.1 Ų | 133.1 | 61% | 0.608 | 72% | 0.723 | S | S | * | * | 62.4 | 159.6 | 128.6 | 75.1 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 620 | H | 26.9 | Very low | 29 | Very low | 158 Ų | 158 | 133.5 Ų | 133.5 | 73% | 0.731 | 73% | 0.729 | S | S | * | * | cis | -132.4 | 149 | -2.9 | -67.7 | -86.1 | 0 | 0 | 0 | 108.7 | ||||
| 621 | Q | 28.6 | Very low | 28.8 | Very low | 165 Ų | 165 | 131.8 Ų | 131.8 | 77% | 0.771 | 74% | 0.738 | S | S | * | * | 65 | 134 | 62.2 | -122.8 | 177.3 | -9.9 | 0 | 0 | 113.4 | |||||
| 622 | L | 27.7 | Very low | 28.9 | Very low | 142 Ų | 142 | 132.6 Ų | 132.6 | 74% | 0.743 | 74% | 0.737 | S | S | * | * | cis | -129.1 | 173.1 | 21.5 | -71.7 | 147.5 | 0 | 0 | 0 | 111.1 | ||||
| 623 | G | 25.2 | Very low | 28.8 | Very low | 67 Ų | 67 | 134 Ų | 134 | 69% | 0.691 | 74% | 0.74 | S | S | * | * | cis | 89.4 | 130.8 | 33.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 624 | I | 28.6 | Very low | 28.6 | Very low | 145 Ų | 145 | 130.2 Ų | 130.2 | 74% | 0.744 | 74% | 0.737 | S | S | * | * | cis | -165.9 | 130.7 | 45.3 | -91.7 | 155.8 | 0 | 0 | 0 | 107.1 | ||||
| 625 | L | 27 | Very low | 28.4 | Very low | 144 Ų | 144 | 130.9 Ų | 130.9 | 75% | 0.754 | 74% | 0.741 | S | S | * | * | 67.2 | 112.3 | 80.9 | -105 | 171.8 | 0 | 0 | 0 | 116 | |||||
| 626 | T | 28.3 | Very low | 28.4 | Very low | 142 Ų | 142 | 130.2 Ų | 130.2 | 87% | 0.871 | 74% | 0.737 | S | S | * | * | -171.2 | 140.1 | 123.3 | 25.6 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 627 | T | 31.4 | Very low | 28.3 | Very low | 123 Ų | 123 | 131.4 Ų | 131.4 | 76% | 0.755 | 74% | 0.74 | S | S | * | * | trans | -94.2 | -171.8 | 161.4 | 49.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 628 | P | 40.6 | Very low | 28.2 | Very low | 106 Ų | 106 | 127.8 Ų | 127.8 | 69% | 0.688 | 73% | 0.733 | S | S | * | * | cis | -146.5 | -178.2 | 11.7 | 43 | -21.2 | 0 | 0 | 0 | 118.6 | ||||
| 629 | N | 26.7 | Very low | 28.1 | Very low | 131 Ų | 131 | 131.7 Ų | 131.7 | 70% | 0.701 | 74% | 0.741 | S | S | * | * | trans | 71.9 | 139.1 | 135.9 | -92.6 | 41.7 | 0 | 0 | 0 | 125.5 | ||||
| 630 | D | 27.4 | Very low | 28 | Very low | 134 Ų | 134 | 133.7 Ų | 133.7 | 72% | 0.717 | 75% | 0.745 | S | S | * | * | 106.6 | 131.9 | 126.2 | -76.4 | -27.3 | 0 | 0 | 0 | 124 | |||||
| 631 | T | 28.5 | Very low | 28.2 | Very low | 135 Ų | 135 | 132 Ų | 132 | 83% | 0.828 | 74% | 0.741 | S | S | * | * | trans | 79.6 | 143.5 | 158.4 | 7.4 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 632 | E | 28.1 | Very low | 28.1 | Very low | 152 Ų | 152 | 133.3 Ų | 133.3 | 71% | 0.71 | 75% | 0.745 | S | S | * | * | trans | -76.5 | 160.6 | 174.1 | -53.4 | 176.4 | -174 | 0 | 0 | 112.8 | ||||
| 633 | H | 27.7 | Very low | 28.1 | Very low | 158 Ų | 158 | 130.5 Ų | 130.5 | 73% | 0.731 | 74% | 0.737 | S | S | * | * | 169.1 | 136.4 | 102.9 | -84.4 | -40.5 | 0 | 0 | 0 | 113 | |||||
| 634 | S | 25.6 | Very low | 28.3 | Very low | 105 Ų | 105 | 137.4 Ų | 137.4 | 73% | 0.734 | 74% | 0.742 | S | S | * | * | trans | 53 | 139.5 | 136.4 | -158.6 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 635 | S | 25.5 | Very low | 28.3 | Very low | 113 Ų | 113 | 136.3 Ų | 136.3 | 79% | 0.79 | 74% | 0.738 | S | S | * | * | trans | 70.5 | 161.5 | 156.3 | 80.6 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 636 | S | 25.8 | Very low | 28.5 | Very low | 98 Ų | 98 | 134.5 Ų | 134.5 | 69% | 0.685 | 74% | 0.737 | S | S | * | * | cis | -174.1 | 141.1 | -37.1 | -175.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 637 | F | 25.3 | Very low | 28.4 | Very low | 191 Ų | 191 | 135 Ų | 135 | 84% | 0.838 | 73% | 0.733 | S | S | * | * | trans | 68.6 | 152.1 | 155.8 | -114.9 | -95.7 | 0 | 0 | 0 | 122.4 | ||||
| 638 | S | 29.2 | Very low | 28.4 | Very low | 96 Ų | 96 | 138.8 Ų | 138.8 | 67% | 0.671 | 73% | 0.734 | S | S | * | * | trans | 56.6 | 103.1 | 160.2 | 43.2 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 639 | E | 27 | Very low | 27.7 | Very low | 173 Ų | 173 | 144.4 Ų | 144.4 | 81% | 0.808 | 74% | 0.741 | S | S | * | * | 67.4 | 147.3 | 69 | -148.2 | -167.3 | -153.8 | 0 | 0 | 115.7 | |||||
| 640 | L | 27.9 | Very low | 27.7 | Very low | 129 Ų | 129 | 142.8 Ų | 142.8 | 68% | 0.675 | 74% | 0.74 | S | S | * | * | trans | 79.5 | 101.7 | 167 | -58.4 | 178.7 | 0 | 0 | 0 | 120.7 | ||||
| 641 | N | 29.9 | Very low | 27.6 | Very low | 123 Ų | 123 | 142.9 Ų | 142.9 | 66% | 0.658 | 75% | 0.746 | S | S | * | * | 23.9 | 128.4 | 121.3 | -63.8 | -71.5 | 0 | 0 | 0 | 119.5 | |||||
| 642 | F | 27.3 | Very low | 27.7 | Very low | 193 Ų | 193 | 141.9 Ų | 141.9 | 85% | 0.846 | 74% | 0.744 | S | S | * | * | 175.4 | 143.9 | 93.1 | -101.9 | -64 | 0 | 0 | 0 | 116.8 | |||||
| 643 | S | 26.8 | Very low | 27.5 | Very low | 82 Ų | 82 | 142.2 Ų | 142.2 | 57% | 0.573 | 75% | 0.75 | S | S | * | * | trans | 61.8 | 108.4 | 131.7 | 178.7 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 644 | R | 30.9 | Very low | 27.5 | Very low | 213 Ų | 213 | 139.4 Ų | 139.4 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | trans | 68.1 | 161.5 | 131 | -56.5 | 169.3 | 84.6 | 153.4 | 3.1 | 116.7 | ||||
| 645 | N | 28.3 | Very low | 27.6 | Very low | 122 Ų | 122 | 140 Ų | 140 | 65% | 0.652 | 75% | 0.747 | S | S | * | * | cis | -158.8 | 142.3 | 16.8 | -136.1 | 4.1 | 0 | 0 | 0 | 111.2 | ||||
| 646 | S | 29.6 | Very low | 27.7 | Very low | 105 Ų | 105 | 141.2 Ų | 141.2 | 73% | 0.734 | 75% | 0.745 | S | S | * | * | trans | 7.3 | 130.6 | 146.3 | 154.5 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 647 | L | 28.1 | Very low | 27.9 | Very low | 153 Ų | 153 | 145.1 Ų | 145.1 | 80% | 0.801 | 76% | 0.757 | S | S | * | * | trans | -144.7 | 119.1 | 155.2 | -127.2 | 79.2 | 0 | 0 | 0 | 114.8 | ||||
| 648 | R | 29.8 | Very low | 27.9 | Very low | 202 Ų | 202 | 140.3 Ų | 140.3 | 76% | 0.762 | 75% | 0.747 | S | S | * | * | trans | 71.5 | 128.7 | 143.2 | -51.8 | -114.2 | 178.9 | -163.9 | -2.1 | 123.5 | ||||
| 649 | R | 26.8 | Very low | 28 | Very low | 225 Ų | 225 | 144.7 Ų | 144.7 | 85% | 0.849 | 75% | 0.754 | S | S | * | * | 85.3 | 123.9 | 126.5 | -88.2 | -176.5 | 156.8 | -170.4 | -9.2 | 123.2 | |||||
| 650 | S | 26.6 | Very low | 28.1 | Very low | 97 Ų | 97 | 145.7 Ų | 145.7 | 68% | 0.678 | 76% | 0.756 | S | S | * | * | trans | -56.5 | 163.9 | 145.9 | 54.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 651 | V | 26.3 | Very low | 28 | Very low | 136 Ų | 136 | 144.6 Ų | 144.6 | 82% | 0.824 | 76% | 0.759 | S | S | * | * | -156.2 | 171.1 | 52.5 | -73.3 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 652 | S | 29.9 | Very low | 28.9 | Very low | 113 Ų | 113 | 144 Ų | 144 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | trans | -95.5 | 161.2 | -178.8 | 0.5 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 653 | L | 24.2 | Very low | 29.1 | Very low | 159 Ų | 159 | 142 Ų | 142 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | trans | -155.8 | 130.8 | 144.2 | -81.9 | -173.8 | 0 | 0 | 0 | 106.5 | ||||
| 654 | S | 26.2 | Very low | 29.3 | Very low | 100 Ų | 100 | 144.1 Ų | 144.1 | 70% | 0.699 | 76% | 0.764 | S | S | * | * | 65.7 | 138.1 | 82.8 | -55.3 | 0 | 0 | 0 | 0 | 113 | |||||
| 655 | T | 28.7 | Very low | 29.1 | Very low | 118 Ų | 118 | 142.9 Ų | 142.9 | 72% | 0.724 | 76% | 0.76 | S | S | * | * | cis | -143.9 | 137.3 | 27.7 | 50.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 656 | D | 28.1 | Very low | 28.9 | Very low | 138 Ų | 138 | 143.4 Ų | 143.4 | 74% | 0.738 | 76% | 0.756 | S | S | * | * | 67.8 | 124.8 | 90.9 | -50.8 | -61.3 | 0 | 0 | 0 | 118.2 | |||||
| 657 | L | 28.4 | Very low | 28.7 | Very low | 180 Ų | 180 | 145.5 Ų | 145.5 | 94% | 0.942 | 76% | 0.756 | S | S | * | * | trans | -171.5 | 143.1 | 132.4 | -105.6 | 163 | 0 | 0 | 0 | 112.1 | ||||
| 658 | S | 26.2 | Very low | 28.5 | Very low | 89 Ų | 89 | 144.8 Ų | 144.8 | 62% | 0.622 | 75% | 0.753 | S | S | * | * | trans | -165.3 | 150.5 | -177.9 | 175.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 659 | F | 31.6 | Very low | 28.5 | Very low | 188 Ų | 188 | 140.5 Ų | 140.5 | 83% | 0.825 | 75% | 0.754 | S | S | * | * | 152.7 | 141.8 | 124.8 | -95.9 | -71.7 | 0 | 0 | 0 | 116 | |||||
| 660 | K | 28.2 | Very low | 28.6 | Very low | 195 Ų | 195 | 135.1 Ų | 135.1 | 85% | 0.848 | 75% | 0.751 | S | S | * | * | trans | 137 | 141.8 | 142.6 | -77.3 | 162.4 | -175.4 | 176.9 | 0 | 110.5 | ||||
| 661 | S | 25.8 | Very low | 28.6 | Very low | 106 Ų | 106 | 134.7 Ų | 134.7 | 74% | 0.741 | 75% | 0.753 | S | S | * | * | cis | -178.1 | -176.3 | -13.8 | 56.3 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 662 | P | 48.7 | Very low | 28.7 | Very low | 111 Ų | 111 | 135.3 Ų | 135.3 | 72% | 0.721 | 75% | 0.747 | S | S | * | * | cis | -137.4 | -141.9 | 1.4 | 43.1 | -21.1 | 0 | 0 | 0 | 113.1 | ||||
| 663 | L | 32.8 | Very low | 28.7 | Very low | 151 Ų | 151 | 136.4 Ų | 136.4 | 79% | 0.791 | 74% | 0.738 | S | S | * | * | trans | -124.4 | -174.4 | 168.2 | -62.4 | 80.8 | 0 | 0 | 0 | 108.1 | ||||
| 664 | N | 29.5 | Very low | 28.8 | Very low | 125 Ų | 125 | 139.4 Ų | 139.4 | 67% | 0.668 | 74% | 0.738 | S | S | * | * | cis | -168.2 | -176.1 | 18.2 | -146.1 | 2.8 | 0 | 0 | 0 | 107.7 | ||||
| 665 | W | 27.4 | Very low | 28.7 | Very low | 187 Ų | 187 | 140.5 Ų | 140.5 | 71% | 0.708 | 74% | 0.74 | S | S | * | * | cis | -164.5 | 162.3 | 2.2 | -158.3 | 22.9 | 0 | 0 | 0 | 111.3 | ||||
| 666 | K | 24.6 | Very low | 28.6 | Very low | 134 Ų | 134 | 139.9 Ų | 139.9 | 58% | 0.583 | 74% | 0.741 | S | S | * | * | trans | 58 | 121.1 | 146 | -101.6 | -174.3 | -179.2 | 171.3 | 0 | 124.2 | ||||
| 667 | M | 24.6 | Very low | 29.8 | Very low | 149 Ų | 149 | 138.9 Ų | 138.9 | 73% | 0.734 | 74% | 0.742 | S | S | * | * | 98.8 | 104.7 | 118.2 | -149.5 | 146.3 | 91.2 | 0 | 0 | 123.1 | |||||
| 668 | N | 24.8 | Very low | 29.8 | Very low | 137 Ų | 137 | 135.1 Ų | 135.1 | 73% | 0.733 | 74% | 0.737 | S | S | * | * | trans | 37.9 | 135 | 138.2 | -51.5 | 6.6 | 0 | 0 | 0 | 124.6 | ||||
| 669 | S | 30.3 | Very low | 29.8 | Very low | 112 Ų | 112 | 135.8 Ų | 135.8 | 78% | 0.783 | 75% | 0.748 | S | S | * | * | trans | 65.9 | 152.3 | 137.3 | 58.1 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 670 | S | 28.6 | Very low | 29.6 | Very low | 113 Ų | 113 | 132.2 Ų | 132.2 | 79% | 0.79 | 75% | 0.746 | S | S | * | * | cis | -176.5 | 179.2 | -8.5 | 47.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 671 | A | 26.5 | Very low | 31 | Very low | 87 Ų | 87 | 127.8 Ų | 127.8 | 72% | 0.719 | 74% | 0.737 | S | S | * | * | trans | 109.9 | 103.3 | 146.7 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 672 | E | 28.5 | Very low | 31 | Very low | 150 Ų | 150 | 132 Ų | 132 | 70% | 0.701 | 74% | 0.738 | S | S | * | * | 53.2 | 115.9 | 107.5 | -155.9 | -141.6 | 147.4 | 0 | 0 | 121.9 | |||||
| 673 | K | 29.4 | Very low | 30.3 | Very low | 136 Ų | 136 | 133 Ų | 133 | 59% | 0.591 | 73% | 0.731 | S | S | * | * | 165.8 | 138 | 115 | -94.4 | -178.8 | 176.9 | 59.3 | 0 | 117 | |||||
| 674 | R | 26.4 | Very low | 30.3 | Very low | 221 Ų | 221 | 132.8 Ų | 132.8 | 83% | 0.834 | 73% | 0.726 | S | S | * | * | trans | 63.4 | 165.2 | 141 | -70.7 | -176.1 | 179 | -167.4 | -1 | 120.6 | ||||
| 675 | V | 24.5 | Very low | 30.7 | Very low | 123 Ų | 123 | 130.5 Ų | 130.5 | 75% | 0.745 | 72% | 0.72 | S | S | * | * | cis | -174.4 | 120.4 | -45.9 | 129.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 676 | S | 25.5 | Very low | 30.8 | Very low | 105 Ų | 105 | 128.8 Ų | 128.8 | 73% | 0.734 | 73% | 0.725 | S | S | * | * | trans | 59.6 | -176.1 | 148.9 | -42.5 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 677 | P | 54.1 | Low | 31.1 | Very low | 117 Ų | 117 | 126.2 Ų | 126.2 | 76% | 0.76 | 73% | 0.729 | S | S | * | * | -143.9 | 177.6 | -91.9 | 45.6 | -27 | 0 | 0 | 0 | 118.8 | |||||
| 678 | A | 28.7 | Very low | 31.5 | Very low | 102 Ų | 102 | 124.3 Ų | 124.3 | 84% | 0.843 | 73% | 0.73 | S | S | * | * | trans | 64.9 | 144.6 | 141.8 | 0 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 679 | A | 25.2 | Very low | 31.7 | Very low | 103 Ų | 103 | 124.4 Ų | 124.4 | 85% | 0.851 | 74% | 0.735 | S | S | * | * | trans | -157.2 | 160.3 | 156.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 680 | S | 28.3 | Very low | 31.7 | Very low | 113 Ų | 113 | 125.9 Ų | 125.9 | 79% | 0.79 | 73% | 0.734 | S | S | * | * | trans | -157.3 | -147.7 | -171.9 | 57.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 681 | P | 56.7 | Low | 31.8 | Very low | 102 Ų | 102 | 126.7 Ų | 126.7 | 66% | 0.662 | 73% | 0.729 | S | S | * | * | cis | -141.1 | 177.5 | -16.2 | 35.5 | -14.9 | 0 | 0 | 0 | 117.1 | ||||
| 682 | Y | 25.8 | Very low | 31.9 | Very low | 194 Ų | 194 | 127.5 Ų | 127.5 | 76% | 0.761 | 73% | 0.725 | S | S | * | * | trans | 166.3 | 162 | 144.4 | -101.2 | -152.9 | 0 | 0 | 0 | 110.9 | ||||
| 683 | K | 34.2 | Very low | 32.1 | Very low | 133 Ų | 133 | 128 Ų | 128 | 58% | 0.578 | 73% | 0.727 | S | S | * | * | cis | -172 | 171.2 | -23.7 | -121.2 | -167.3 | -177.8 | -169.2 | 0 | 108.7 | ||||
| 684 | Q | 33.6 | Very low | 32 | Very low | 146 Ų | 146 | 127.9 Ų | 127.9 | 68% | 0.682 | 73% | 0.733 | S | S | * | * | cis | -147.3 | -64.8 | -4.2 | -162.3 | -179.3 | -106.6 | 0 | 0 | 116.1 | ||||
| 685 | S | 36.9 | Very low | 32.2 | Very low | 77 Ų | 77 | 122 Ų | 122 | 54% | 0.538 | 73% | 0.726 | S | S | . | * | trans | -145 | 171.7 | -159 | -5.1 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 686 | D | 28.9 | Very low | 32.6 | Very low | 151 Ų | 151 | 123.8 Ų | 123.8 | 81% | 0.807 | 73% | 0.732 | S | S | * | * | cis | -156.8 | 159.1 | 10.3 | -119 | -39.4 | 0 | 0 | 0 | 116 | ||||
| 687 | A | 32.3 | Very low | 33.2 | Very low | 80 Ų | 80 | 125.9 Ų | 125.9 | 66% | 0.661 | 73% | 0.734 | S | S | * | * | trans | 54.8 | 106.4 | 145.2 | 0 | 0 | 0 | 0 | 0 | 127.8 | ||||
| 688 | S | 31.8 | Very low | 32.4 | Very low | 109 Ų | 109 | 128.2 Ų | 128.2 | 76% | 0.762 | 74% | 0.735 | S | S | * | * | 72.6 | 122.9 | 116.3 | 70.3 | 0 | 0 | 0 | 0 | 128.2 | |||||
| 689 | V | 30.2 | Very low | 32.8 | Very low | 138 Ų | 138 | 129.5 Ų | 129.5 | 84% | 0.836 | 73% | 0.728 | S | S | * | * | 82.5 | 96.2 | 129.3 | 179.1 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 690 | D | 29.4 | Very low | 33.3 | Very low | 143 Ų | 143 | 132.3 Ų | 132.3 | 77% | 0.765 | 73% | 0.729 | S | S | * | * | 59.3 | 151.1 | 111.5 | -142.7 | 10.8 | 0 | 0 | 0 | 127 | |||||
| 691 | L | 29.9 | Very low | 33.9 | Very low | 130 Ų | 130 | 131.3 Ų | 131.3 | 68% | 0.681 | 73% | 0.727 | S | S | * | * | trans | 84.4 | 124.4 | 159 | -65.4 | -175.2 | 0 | 0 | 0 | 125.4 | ||||
| 692 | T | 29.1 | Very low | 32.9 | Very low | 105 Ų | 105 | 134 Ų | 134 | 64% | 0.644 | 74% | 0.735 | S | S | * | * | trans | 74.6 | 112.1 | 140.3 | 49.4 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 693 | Q | 32.2 | Very low | 33.6 | Very low | 159 Ų | 159 | 133 Ų | 133 | 74% | 0.743 | 74% | 0.741 | S | S | * | * | 34.2 | 134.8 | 120.4 | -56.4 | 176.8 | -68.2 | 0 | 0 | 121.6 | |||||
| 694 | N | 28 | Very low | 33.7 | Very low | 134 Ų | 134 | 132.1 Ų | 132.1 | 72% | 0.717 | 74% | 0.742 | S | S | * | * | 169.9 | 159.1 | 98.2 | -89.3 | -54.4 | 0 | 0 | 0 | 114.3 | |||||
| 695 | S | 31.3 | Very low | 34 | Very low | 99 Ų | 99 | 129.4 Ų | 129.4 | 69% | 0.692 | 74% | 0.74 | S | S | * | * | trans | 59.9 | 146.1 | 153.6 | 51.8 | 0 | 0 | 0 | 0 | 120 | ||||
| 696 | D | 31.9 | Very low | 34.6 | Very low | 160 Ų | 160 | 131.5 Ų | 131.5 | 86% | 0.856 | 75% | 0.745 | S | S | * | * | cis | -152.3 | 162 | -6.9 | -113.8 | -25.3 | 0 | 0 | 0 | 111.1 | ||||
| 697 | D | 37.9 | Very low | 35.7 | Very low | 148 Ų | 148 | 131.5 Ų | 131.5 | 79% | 0.791 | 74% | 0.74 | S | S | * | * | trans | -77.7 | 163.1 | 169.4 | -78.5 | -56.3 | 0 | 0 | 0 | 111.8 | ||||
| 698 | E | 38.2 | Very low | 36.6 | Very low | 166 Ų | 166 | 133.3 Ų | 133.3 | 78% | 0.776 | 74% | 0.735 | S | S | * | * | 178.9 | 149.6 | 118.6 | -95 | -64.8 | 172.5 | 0 | 0 | 112.5 | |||||
| 699 | N | 36.2 | Very low | 37.5 | Very low | 129 Ų | 129 | 132.7 Ų | 132.7 | 69% | 0.69 | 72% | 0.722 | S | S | * | * | trans | -58.8 | 156.3 | -172.9 | -62.8 | -84.7 | 0 | 0 | 0 | 113.3 | ||||
| 700 | D | 37.1 | Very low | 38.6 | Very low | 163 Ų | 163 | 131.8 Ų | 131.8 | 87% | 0.872 | 71% | 0.712 | S | S | * | * | -164.9 | 162.8 | 65.2 | -128 | -28.3 | 0 | 0 | 0 | 114.7 | |||||
| 701 | A | 40.2 | Very low | 39.3 | Very low | 91 Ų | 91 | 135 Ų | 135 | 75% | 0.752 | 72% | 0.715 | S | S | * | * | trans | -104.5 | 138.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 702 | I | 35.7 | Very low | 39.9 | Very low | 160 Ų | 160 | 133.4 Ų | 133.4 | 82% | 0.821 | 72% | 0.715 | S | S | * | * | trans | -125.3 | 128.6 | 168.5 | -60.4 | -179.2 | 0 | 0 | 0 | 109.2 | ||||
| 703 | L | 41.2 | Very low | 40.5 | Very low | 172 Ų | 172 | 134.1 Ų | 134.1 | 90% | 0.901 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 127.3 | 178.6 | -68.5 | 161.6 | 0 | 0 | 0 | 110.6 | ||
| 704 | L | 36.1 | Very low | 40.9 | Very low | 114 Ų | 114 | 137.9 Ų | 137.9 | 60% | 0.597 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -100.7 | 139.7 | 165.1 | -63 | 176.6 | 0 | 0 | 0 | 109.3 | ||
| 705 | S | 40.2 | Very low | 41.6 | Very low | 90 Ų | 90 | 141.1 Ų | 141.1 | 63% | 0.629 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 151.9 | -178.3 | 48.5 | 0 | 0 | 0 | 0 | 113 | E707 E708 | S705-E707 PolarHBondContact O-N 3.44Å; S705-E708 PolarHBondContact O-N 2.92Å; S705-E708 VanDerWaalsContact O-N 3.11Å |
| 706 | D | 48.2 | Very low | 41.6 | Very low | 121 Ų | 121 | 139.3 Ų | 139.3 | 65% | 0.647 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.9 | -23.2 | -166.6 | -51.5 | -32.2 | 0 | 0 | 0 | 116.6 | E708 N710 | D706-E708 VanDerWaalsContact C-N 3.32Å; D706-E708 PolarHBondContact O-N 3.14Å; D706-N710 PolarHBondContact O-ND2 2.9Å; D706-N710 VanDerWaalsContact O-ND2 3.16Å |
| 707 | E | 52.1 | Low | 41.6 | Very low | 150 Ų | 150 | 139.6 Ų | 139.6 | 70% | 0.701 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.3 | -30.6 | 177.5 | -124.4 | 67.3 | -138.6 | 0 | 0 | 114 | S705 | S705-E707 PolarHBondContact O-N 3.44Š|
| 708 | E | 51.7 | Low | 41.3 | Very low | 119 Ų | 119 | 142 Ų | 142 | 56% | 0.556 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -27 | -175.6 | -169.6 | 164.3 | -170.3 | 0 | 0 | 112.9 | S705 D706 | S705-E708 PolarHBondContact O-N 2.92Å; S705-E708 VanDerWaalsContact O-N 3.11Å; D706-E708 VanDerWaalsContact C-N 3.32Å; D706-E708 PolarHBondContact O-N 3.14Å |
| 709 | I | 50.7 | Low | 40.9 | Very low | 95 Ų | 95 | 140.2 Ų | 140.2 | 49% | 0.487 | 73% | 0.731 | S | S | . | * | G | 310 helix | trans | -69 | -38.9 | -179 | -59.7 | 176.2 | 0 | 0 | 0 | 111 | Y711 S712 I713 | I709-Y711 VanDerWaalsContact C-N 3.27Å; I709-Y711 PolarHBondContact O-N 3.24Å; I709-S712 PolarHBondContact O-N 2.99Å; I709-I713 HydrophobicContact CG2-CD1 4.19Å |
| 710 | N | 53.2 | Low | 40.6 | Very low | 119 Ų | 119 | 139.6 Ų | 139.6 | 64% | 0.636 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -65 | -22.6 | -171.1 | -83.5 | -60.6 | 0 | 0 | 0 | 115 | D706 | D706-N710 PolarHBondContact O-ND2 2.9Å; D706-N710 VanDerWaalsContact O-ND2 3.16Å |
| 711 | Y | 45.3 | Very low | 40.3 | Very low | 212 Ų | 212 | 140.2 Ų | 140.2 | 83% | 0.831 | 73% | 0.727 | S | S | * | * | G | 310 helix | trans | -89 | -9.7 | -179.1 | -78.5 | -76.7 | 0 | 0 | 0 | 114.8 | I709 | I709-Y711 VanDerWaalsContact C-N 3.27Å; I709-Y711 PolarHBondContact O-N 3.24Å |
| 712 | S | 40.6 | Very low | 39.8 | Very low | 96 Ų | 96 | 142 Ų | 142 | 67% | 0.671 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -97.3 | -8.4 | -168.5 | -64.1 | 0 | 0 | 0 | 0 | 115.5 | I709 | I709-S712 PolarHBondContact O-N 2.99Š|
| 713 | I | 42.5 | Very low | 39.6 | Very low | 119 Ų | 119 | 141.5 Ų | 141.5 | 61% | 0.61 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -93.2 | -9.7 | -163.1 | -64.2 | 175.4 | 0 | 0 | 0 | 114.2 | I709 | I709-I713 HydrophobicContact CG2-CD1 4.19Š|
| 714 | W | 40.2 | Very low | 39 | Very low | 238 Ų | 238 | 140.3 Ų | 140.3 | 90% | 0.902 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -104.1 | 19.4 | -168.4 | -86.6 | 56.7 | 0 | 0 | 0 | 116.8 | ||
| 715 | K | 42.4 | Very low | 38.9 | Very low | 202 Ų | 202 | 142.7 Ų | 142.7 | 88% | 0.878 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -140.8 | 101.8 | 171.2 | -78.4 | -61.1 | -175.8 | -175.3 | 0 | 114.9 | ||
| 716 | G | 32.3 | Very low | 38.4 | Very low | 62 Ų | 62 | 142 Ų | 142 | 64% | 0.639 | 74% | 0.735 | S | S | * | * | trans | 93.1 | 153.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 717 | N | 31.1 | Very low | 37.6 | Very low | 165 Ų | 165 | 142.4 Ų | 142.4 | 88% | 0.882 | 74% | 0.737 | S | S | * | * | cis | -150.3 | 168.1 | -7.1 | -91.8 | -38.3 | 0 | 0 | 0 | 110 | ||||
| 718 | K | 31.3 | Very low | 36.5 | Very low | 198 Ų | 198 | 141.9 Ų | 141.9 | 86% | 0.861 | 74% | 0.739 | S | S | * | * | trans | -70.6 | 133.6 | 162.4 | -61.2 | 172.6 | -179.9 | 174.8 | 0 | 108.9 | ||||
| 719 | T | 31.6 | Very low | 35.5 | Very low | 129 Ų | 129 | 140.1 Ų | 140.1 | 79% | 0.791 | 74% | 0.74 | S | S | * | * | 177.8 | 128.7 | 125.1 | 32 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 720 | V | 29.1 | Very low | 34.6 | Very low | 116 Ų | 116 | 140.4 Ų | 140.4 | 70% | 0.703 | 75% | 0.751 | S | S | * | * | trans | 70.3 | 111.3 | 136.1 | 178.9 | 0 | 0 | 0 | 0 | 120 | ||||
| 721 | K | 30.8 | Very low | 33.3 | Very low | 177 Ų | 177 | 142.2 Ų | 142.2 | 77% | 0.77 | 76% | 0.76 | S | S | * | * | trans | 68.2 | 147.1 | 149.3 | -69.9 | 178.6 | 173.6 | -167.7 | 0 | 118.6 | ||||
| 722 | D | 29.2 | Very low | 32.5 | Very low | 128 Ų | 128 | 137.8 Ų | 137.8 | 68% | 0.684 | 76% | 0.76 | S | S | * | * | cis | -153.8 | 166.9 | -0.8 | -103.9 | -32.1 | 0 | 0 | 0 | 110.6 | ||||
| 723 | L | 32 | Very low | 31.9 | Very low | 150 Ų | 150 | 139.1 Ų | 139.1 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | trans | 52.2 | 104.8 | 158.9 | -95.3 | 64.1 | 0 | 0 | 0 | 123.3 | ||||
| 724 | D | 28.8 | Very low | 31.1 | Very low | 146 Ų | 146 | 143.9 Ų | 143.9 | 78% | 0.781 | 79% | 0.785 | S | S | * | * | 82.6 | 151.2 | 117.2 | -137.4 | -4.7 | 0 | 0 | 0 | 122.9 | |||||
| 725 | I | 33.2 | Very low | 30.4 | Very low | 164 Ų | 164 | 137.3 Ų | 137.3 | 84% | 0.841 | 78% | 0.782 | S | S | * | * | trans | 66.1 | 137.3 | 170.7 | -50.5 | 171.8 | 0 | 0 | 0 | 117.1 | ||||
| 726 | G | 29.8 | Very low | 29.7 | Very low | 75 Ų | 75 | 133 Ų | 133 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | trans | 137 | 80.7 | 154.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 727 | D | 32.8 | Very low | 30 | Very low | 131 Ų | 131 | 135.9 Ų | 135.9 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | trans | -45.8 | 146.5 | 179.4 | -117 | -27.1 | 0 | 0 | 0 | 120.1 | ||||
| 728 | D | 28.7 | Very low | 30 | Very low | 138 Ų | 138 | 134.7 Ų | 134.7 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | 94.1 | 148.8 | 126.4 | -153.4 | 34.5 | 0 | 0 | 0 | 124.4 | |||||
| 729 | S | 30.4 | Very low | 30.2 | Very low | 83 Ų | 83 | 131 Ų | 131 | 58% | 0.58 | 78% | 0.777 | S | S | * | * | trans | 71.1 | 90.7 | 157.6 | -82.2 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 730 | S | 32.5 | Very low | 30.3 | Very low | 101 Ų | 101 | 134.9 Ų | 134.9 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | 80.5 | 126.8 | 108.7 | -56.3 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 731 | D | 25.6 | Very low | 30.5 | Very low | 157 Ų | 157 | 138.5 Ų | 138.5 | 84% | 0.84 | 79% | 0.789 | S | S | * | * | trans | 58.4 | 99.2 | 139.8 | -64.4 | -3.9 | 0 | 0 | 0 | 121.5 | ||||
| 732 | S | 27.9 | Very low | 30.6 | Very low | 119 Ų | 119 | 141.4 Ų | 141.4 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | -150.9 | 123.4 | 104.8 | 50.1 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 733 | C | 27.7 | Very low | 30.7 | Very low | 124 Ų | 124 | 139.8 Ų | 139.8 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | trans | -153.1 | 104 | 178 | -103.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 734 | F | 25 | Very low | 31.2 | Very low | 218 Ų | 218 | 140 Ų | 140 | 96% | 0.956 | 80% | 0.8 | S | S | * | * | trans | -153.2 | 89.5 | 156.1 | -103.9 | -68.4 | 0 | 0 | 0 | 111.6 | ||||
| 735 | A | 26.7 | Very low | 32 | Very low | 101 Ų | 101 | 137.1 Ų | 137.1 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | trans | -159.6 | 128.4 | 150.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 736 | S | 27.2 | Very low | 32.4 | Very low | 111 Ų | 111 | 138 Ų | 138 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | -116.7 | -173.3 | 175.8 | -64.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 737 | P | 39.9 | Very low | 33.9 | Very low | 122 Ų | 122 | 137.8 Ų | 137.8 | 79% | 0.792 | 77% | 0.768 | S | S | * | * | -121.8 | 148.4 | -58.5 | 33.5 | -21.2 | 0 | 0 | 0 | 111 | |||||
| 738 | V | 29.9 | Very low | 35.2 | Very low | 140 Ų | 140 | 140.1 Ų | 140.1 | 85% | 0.848 | 77% | 0.774 | S | S | * | * | trans | -127.4 | 142.7 | 173.4 | -178.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 739 | T | 36.1 | Very low | 36.8 | Very low | 122 Ų | 122 | 137.1 Ų | 137.1 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | trans | -49 | 132.7 | -173 | 52.9 | 0 | 0 | 0 | 0 | 115 | ||||
| 740 | K | 33.2 | Very low | 38.2 | Very low | 210 Ų | 210 | 141.1 Ų | 141.1 | 91% | 0.913 | 77% | 0.771 | S | S | * | * | trans | -89.1 | 108.9 | 160.4 | -73.8 | -170.8 | 177 | -177.7 | 0 | 109.3 | ||||
| 741 | K | 33.4 | Very low | 39.7 | Very low | 192 Ų | 192 | 143.2 Ų | 143.2 | 84% | 0.835 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 145.7 | 167.5 | -69.7 | -172.1 | 176 | -174.4 | 0 | 110 | ||
| 742 | R | 33 | Very low | 41.6 | Very low | 238 Ų | 238 | 139.4 Ų | 139.4 | 90% | 0.898 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 131.2 | 169.5 | -158 | 176.4 | -163.9 | 163.7 | 1.7 | 108.1 | ||
| 743 | A | 30.5 | Very low | 43.6 | Very low | 94 Ų | 94 | 137.4 Ų | 137.4 | 78% | 0.777 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 137.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 744 | I | 41.9 | Very low | 45.1 | Very low | 154 Ų | 154 | 135.8 Ų | 135.8 | 79% | 0.79 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 133.5 | 176.9 | -61.3 | 169.9 | 0 | 0 | 0 | 107.4 | Q746 | I744-Q746 PolarHBondContact O-N 3.47Š|
| 745 | P | 46.8 | Very low | 47.3 | Very low | 85 Ų | 85 | 128.3 Ų | 128.3 | 55% | 0.552 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 132.6 | 170.2 | -18.8 | 32 | 0 | 0 | 0 | 110.4 | F747 | P745-F747 HydrophobicContact CB-CE2 4.03Å; P745-F747 HydrophobicContact CB-CZ 4.02Å |
| 746 | Q | 40.9 | Very low | 49.6 | Very low | 183 Ų | 183 | 128.6 Ų | 128.6 | 86% | 0.855 | 67% | 0.673 | S | S | * | * | trans | -106.7 | 86.4 | 179.3 | -171.7 | 171 | -0.5 | 0 | 0 | 109.4 | I744 | I744-Q746 PolarHBondContact O-N 3.47Š| ||
| 747 | F | 61.6 | Low | 51.4 | Low | 71 Ų | 71 | 128.1 Ų | 128.1 | 31% | 0.311 | 66% | 0.661 | S | S | . | * | trans | -59.7 | 145.4 | 174 | -55.3 | -79.5 | 0 | 0 | 0 | 110.9 | P745 D752 L753 F756 | P745-F747 HydrophobicContact CB-CE2 4.03Å; P745-F747 HydrophobicContact CB-CZ 4.02Å; F747-D752 VanDerWaalsContact CA-OD2 3.31Å; F747-D752 WeakPolarHBondContact CA-OD2 3.47Å; F747-D752 HydrophobicContact CB-CB 4.36Å; F747-D752 HydrophobicContact CD1-CB 4.3Å; F747-D752 WeakPolarHBondContact CD1-O 3.34Å; F747-L753 HydrophobicContact CD2-CD1 4.09Å; F747-L753 HydrophobicContact CE2-CD1 3.94Å; F747-L753 HydrophobicContact CZ-CD1 4.32Å; F747-F756 HydrophobicContact CE1-CB 3.91Å; F747-F756 HydrophobicContact CE1-CD2 4.46Å; F747-F756 HydrophobicContact CE1-CG 4.05Å; F747-F756 HydrophobicContact CZ-CB 4.18Å; F747-F756 AromaticContact CZ-CD1 3.95Å; F747-F756 HydrophobicContact CZ-CD1 3.95Å; F747-F756 HydrophobicContact CZ-CD2 4.34Å; F747-F756 HydrophobicContact CZ-CE1 4.48Å; F747-F756 AromaticContact CZ-CG 3.88Å; F747-F756 HydrophobicContact CZ-CG 3.88Å | ||
| 748 | Q | 60.1 | Low | 52.1 | Low | 180 Ų | 180 | 129 Ų | 129 | 84% | 0.841 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -108.6 | -15.9 | -175.5 | -64.1 | -170.5 | 18.6 | 0 | 0 | 114.6 | D752 | Q748-D752 PolarHBondContact N-OD2 3.47Š|
| 749 | T | 63.2 | Low | 53 | Low | 75 Ų | 75 | 129 Ų | 129 | 46% | 0.46 | 65% | 0.651 | S | S | . | * | S | Bend | trans | -137.6 | 166.1 | 171.5 | 60.5 | 0 | 0 | 0 | 0 | 110.3 | E751 D752 | T749-E751 VanDerWaalsContact C-N 3.32Å; T749-D752 WeakPolarHBondContact O-CB 3.47Å; T749-D752 PolarHBondContact O-N 3.48Å; T749-D752 PolarHBondContact OG1-N 3.03Å |
| 750 | E | 59 | Low | 53.4 | Low | 167 Ų | 167 | 130.5 Ų | 130.5 | 78% | 0.78 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -67 | -33.5 | 173 | 59.1 | -148.3 | 144.8 | 0 | 0 | 112.2 | D752 L753 D754 | E750-D752 VanDerWaalsContact C-N 3.27Å; E750-D752 PolarHBondContact O-N 3.1Å; E750-L753 WeakPolarHBondContact O-CB 3.31Å; E750-L753 PolarHBondContact O-N 2.83Å; E750-L753 VanDerWaalsContact O-N 3.09Å; E750-D754 PolarHBondContact O-N 3.22Å |
| 751 | E | 63.6 | Low | 53.4 | Low | 145 Ų | 145 | 125.1 Ų | 125.1 | 68% | 0.678 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -61.8 | -31.7 | 174.2 | -58.4 | 166.4 | 127.2 | 0 | 0 | 113.1 | T749 L753 A755 | T749-E751 VanDerWaalsContact C-N 3.32Å; E751-L753 VanDerWaalsContact C-N 3.31Å; E751-A755 VanDerWaalsContact O-CB 3.31Å; E751-A755 WeakPolarHBondContact O-CB 3.35Å; E751-A755 PolarHBondContact O-N 3.43Å |
| 752 | D | 66.9 | Low | 53.6 | Low | 76 Ų | 76 | 122.2 Ų | 122.2 | 41% | 0.406 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -72.5 | -25.4 | 177.2 | -165.4 | 38.4 | 0 | 0 | 0 | 111.7 | F747 Q748 T749 E750 | F747-D752 VanDerWaalsContact CA-OD2 3.31Å; F747-D752 WeakPolarHBondContact CA-OD2 3.47Å; F747-D752 HydrophobicContact CB-CB 4.36Å; F747-D752 HydrophobicContact CD1-CB 4.3Å; F747-D752 WeakPolarHBondContact CD1-O 3.34Å; Q748-D752 PolarHBondContact N-OD2 3.47Å; T749-D752 WeakPolarHBondContact O-CB 3.47Å; T749-D752 PolarHBondContact O-N 3.48Å; T749-D752 PolarHBondContact OG1-N 3.03Å; E750-D752 VanDerWaalsContact C-N 3.27Å; E750-D752 PolarHBondContact O-N 3.1Å |
| 753 | L | 69.6 | Low | 53.6 | Low | 78 Ų | 78 | 117.9 Ų | 117.9 | 41% | 0.408 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -83 | -42.2 | 172.1 | -179 | 64.6 | 0 | 0 | 0 | 111.8 | F747 E750 E751 F756 L757 | F747-L753 HydrophobicContact CD2-CD1 4.09Å; F747-L753 HydrophobicContact CE2-CD1 3.94Å; F747-L753 HydrophobicContact CZ-CD1 4.32Å; E750-L753 WeakPolarHBondContact O-CB 3.31Å; E750-L753 PolarHBondContact O-N 2.83Å; E750-L753 VanDerWaalsContact O-N 3.09Å; E751-L753 VanDerWaalsContact C-N 3.31Å; L753-F756 WeakPolarHBondContact O-CB 3.43Å; L753-F756 PolarHBondContact O-N 3.32Å; L753-L757 HydrophobicContact CG-CD1 4.28Å; L753-L757 PolarHBondContact O-N 3.01Å |
| 754 | D | 59.6 | Low | 53.6 | Low | 89 Ų | 89 | 116.5 Ų | 116.5 | 48% | 0.476 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -65.9 | -40.2 | 177.3 | -85.5 | -5.5 | 0 | 0 | 0 | 111.8 | E750 F756 L757 M758 | E750-D754 PolarHBondContact O-N 3.22Å; D754-F756 VanDerWaalsContact C-N 3.28Å; D754-F756 PolarHBondContact O-N 3.08Å; D754-L757 PolarHBondContact O-N 3.47Å; D754-L757 VanDerWaalsContact O-N 3.09Å; D754-M758 VanDerWaalsContact O-CG 3.27Å; D754-M758 WeakPolarHBondContact O-CG 3.3Å; D754-M758 PolarHBondContact O-N 3.42Å |
| 755 | A | 69.6 | Low | 53.1 | Low | 61 Ų | 61 | 116.5 Ų | 116.5 | 50% | 0.504 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -58.3 | -41.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112 | E751 L757 M758 D759 | E751-A755 VanDerWaalsContact O-CB 3.31Å; E751-A755 WeakPolarHBondContact O-CB 3.35Å; E751-A755 PolarHBondContact O-N 3.43Å; A755-L757 VanDerWaalsContact C-N 3.31Å; A755-L757 PolarHBondContact O-N 2.9Å; A755-M758 PolarHBondContact O-N 3.16Å; A755-D759 PolarHBondContact O-N 3.12Å |
| 756 | F | 76.3 | Confident | 52.4 | Low | 108 Ų | 108 | 115.8 Ų | 115.8 | 47% | 0.474 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -68.3 | -26.4 | 176.1 | 178.9 | -97.6 | 0 | 0 | 0 | 113.4 | F747 L753 D754 F760 | F747-F756 HydrophobicContact CE1-CB 3.91Å; F747-F756 HydrophobicContact CE1-CD2 4.46Å; F747-F756 HydrophobicContact CE1-CG 4.05Å; F747-F756 HydrophobicContact CZ-CB 4.18Å; F747-F756 AromaticContact CZ-CD1 3.95Å; F747-F756 HydrophobicContact CZ-CD1 3.95Å; F747-F756 HydrophobicContact CZ-CD2 4.34Å; F747-F756 HydrophobicContact CZ-CE1 4.48Å; F747-F756 AromaticContact CZ-CG 3.88Å; F747-F756 HydrophobicContact CZ-CG 3.88Å; L753-F756 WeakPolarHBondContact O-CB 3.43Å; L753-F756 PolarHBondContact O-N 3.32Å; D754-F756 VanDerWaalsContact C-N 3.28Å; D754-F756 PolarHBondContact O-N 3.08Å; F756-F760 HydrophobicContact CE2-CE2 4.45Å; F756-F760 WeakPolarHBondContact O-CD2 3.3Å |
| 757 | L | 64.6 | Low | 51.9 | Low | 100 Ų | 100 | 112.1 Ų | 112.1 | 52% | 0.524 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -81.2 | -37.3 | 175.2 | -76.7 | 164.1 | 0 | 0 | 0 | 112.8 | L753 D754 A755 D759 | L753-L757 HydrophobicContact CG-CD1 4.28Å; L753-L757 PolarHBondContact O-N 3.01Å; D754-L757 PolarHBondContact O-N 3.47Å; D754-L757 VanDerWaalsContact O-N 3.09Å; A755-L757 VanDerWaalsContact C-N 3.31Å; A755-L757 PolarHBondContact O-N 2.9Å; L757-D759 VanDerWaalsContact C-N 3.35Å; L757-D759 PolarHBondContact O-N 3.02Å |
| 758 | M | 54.3 | Low | 50.4 | Low | 140 Ų | 140 | 117.9 Ų | 117.9 | 69% | 0.69 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -73.9 | -22.2 | -176.5 | -66 | -65 | 159.9 | 0 | 0 | 113.7 | D754 A755 F760 | D754-M758 VanDerWaalsContact O-CG 3.27Å; D754-M758 WeakPolarHBondContact O-CG 3.3Å; D754-M758 PolarHBondContact O-N 3.42Å; A755-M758 PolarHBondContact O-N 3.16Å; M758-F760 PolarHBondContact O-N 3.37Å |
| 759 | D | 49.6 | Very low | 48.9 | Very low | 140 Ų | 140 | 112.6 Ų | 112.6 | 75% | 0.749 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | -2.1 | 176.2 | -105.3 | 6.5 | 0 | 0 | 0 | 114.3 | A755 L757 | A755-D759 PolarHBondContact O-N 3.12Å; L757-D759 VanDerWaalsContact C-N 3.35Å; L757-D759 PolarHBondContact O-N 3.02Å |
| 760 | F | 44.3 | Very low | 47.3 | Very low | 155 Ų | 155 | 114.3 Ų | 114.3 | 68% | 0.68 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.8 | 18.6 | -171.6 | -69.3 | -72.9 | 0 | 0 | 0 | 116.6 | F756 M758 | F756-F760 HydrophobicContact CE2-CE2 4.45Å; F756-F760 WeakPolarHBondContact O-CD2 3.3Å; M758-F760 PolarHBondContact O-N 3.37Å |
| 761 | S | 32.7 | Very low | 45.9 | Very low | 97 Ų | 97 | 115.4 Ų | 115.4 | 68% | 0.678 | 67% | 0.67 | S | S | * | * | trans | -158.3 | 141.2 | 174.8 | -78.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 762 | T | 37.6 | Very low | 44.2 | Very low | 131 Ų | 131 | 113.7 Ų | 113.7 | 80% | 0.804 | 67% | 0.674 | S | S | * | * | cis | -148.6 | -179.5 | 3.6 | 16.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 763 | D | 33.6 | Very low | 42.6 | Very low | 147 Ų | 147 | 116.7 Ų | 116.7 | 79% | 0.786 | 70% | 0.697 | S | S | * | * | cis | -127.6 | -123.9 | 8.6 | -171.4 | 29.4 | 0 | 0 | 0 | 109.7 | ||||
| 764 | G | 30.7 | Very low | 40.8 | Very low | 64 Ų | 64 | 119.2 Ų | 119.2 | 66% | 0.66 | 71% | 0.711 | S | S | * | * | cis | 152 | 138.1 | -4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 765 | N | 31.1 | Very low | 39.4 | Very low | 155 Ų | 155 | 123.9 Ų | 123.9 | 83% | 0.829 | 73% | 0.727 | S | S | * | * | cis | -146.9 | 131.9 | -17.1 | 173.3 | 12.1 | 0 | 0 | 0 | 108.4 | ||||
| 766 | G | 31.3 | Very low | 37.4 | Very low | 69 Ų | 69 | 126.7 Ų | 126.7 | 71% | 0.711 | 74% | 0.743 | S | S | * | * | trans | 81.2 | 142.6 | 161.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 767 | S | 29.9 | Very low | 35.1 | Very low | 107 Ų | 107 | 126.2 Ų | 126.2 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | cis | -163.2 | 160 | -13.3 | 76.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 768 | Q | 31.9 | Very low | 33.6 | Very low | 192 Ų | 192 | 129.7 Ų | 129.7 | 90% | 0.897 | 78% | 0.777 | S | S | * | * | trans | 68.3 | 140.5 | 163.7 | -61.8 | -67.1 | -12.1 | 0 | 0 | 119.5 | ||||
| 769 | G | 27 | Very low | 32.4 | Very low | 68 Ų | 68 | 128.6 Ų | 128.6 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | trans | 119.5 | 68.2 | 159.1 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 770 | S | 30.2 | Very low | 31.8 | Very low | 111 Ų | 111 | 132.3 Ų | 132.3 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | trans | 13.8 | 125.8 | 155.6 | 60.5 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 771 | H | 29.7 | Very low | 31.4 | Very low | 191 Ų | 191 | 133.9 Ų | 133.9 | 88% | 0.884 | 80% | 0.802 | S | S | * | * | trans | 16.9 | 111 | 150.1 | -63.4 | -59.4 | 0 | 0 | 0 | 120.4 | ||||
| 772 | S | 27.9 | Very low | 31.6 | Very low | 109 Ų | 109 | 140.8 Ų | 140.8 | 76% | 0.762 | 81% | 0.814 | S | S | * | * | 168.6 | 137.5 | 101.4 | 51.7 | 0 | 0 | 0 | 0 | 113 | N774 | S772-N774 PolarHBondContact O-N 3.03Š| |||
| 773 | P | 33.6 | Very low | 31.5 | Very low | 138 Ų | 138 | 138 Ų | 138 | 90% | 0.896 | 80% | 0.803 | S | S | * | * | trans | -93 | 97.2 | 175 | 33.7 | -30.1 | 0 | 0 | 0 | 111 | ||||
| 774 | N | 31.9 | Very low | 31.6 | Very low | 131 Ų | 131 | 140.1 Ų | 140.1 | 70% | 0.701 | 81% | 0.809 | S | S | * | * | trans | -141.7 | 113.1 | 171.9 | -142.1 | -25.1 | 0 | 0 | 0 | 110.6 | S772 | S772-N774 PolarHBondContact O-N 3.03Š| ||
| 775 | K | 29.2 | Very low | 31.7 | Very low | 188 Ų | 188 | 146.1 Ų | 146.1 | 82% | 0.817 | 82% | 0.817 | S | S | * | * | trans | 64.8 | 115.2 | 172.4 | -49 | 166.4 | -172.4 | 173 | 0 | 117 | ||||
| 776 | S | 29.3 | Very low | 31.8 | Very low | 119 Ų | 119 | 142.2 Ų | 142.2 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | -173 | 136.5 | 117.4 | 39.8 | 0 | 0 | 0 | 0 | 112 | |||||
| 777 | A | 27.3 | Very low | 31.8 | Very low | 99 Ų | 99 | 147.1 Ų | 147.1 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | trans | -149 | 38.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 778 | L | 32.4 | Very low | 32 | Very low | 173 Ų | 173 | 148.7 Ų | 148.7 | 91% | 0.906 | 82% | 0.821 | S | S | * | * | trans | -145.5 | 71 | -174.8 | -76.6 | -179.9 | 0 | 0 | 0 | 111.7 | ||||
| 779 | S | 30.1 | Very low | 32 | Very low | 117 Ų | 117 | 146.7 Ų | 146.7 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | -173.8 | 72.2 | 159.4 | 55.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 780 | K | 35.9 | Very low | 32.1 | Very low | 217 Ų | 217 | 148.1 Ų | 148.1 | 94% | 0.943 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -132.3 | 35.7 | 162.1 | -151.5 | -177 | 178.1 | 178.8 | 0 | 113.3 | ||
| 781 | E | 35.9 | Very low | 32.1 | Very low | 189 Ų | 189 | 146.9 Ų | 146.9 | 88% | 0.883 | 82% | 0.818 | S | S | * | * | trans | -142.4 | 68.6 | 169.7 | -166.4 | 176.4 | -122.2 | 0 | 0 | 109.6 | ||||
| 782 | R | 37.1 | Very low | 33 | Very low | 242 Ų | 242 | 143.4 Ų | 143.4 | 91% | 0.913 | 81% | 0.812 | S | S | * | * | trans | -156.6 | 121.9 | 165.5 | -148.9 | 169 | -171.2 | 142.9 | 3.6 | 110.7 | ||||
| 783 | A | 35.1 | Very low | 33 | Very low | 71 Ų | 71 | 143.8 Ų | 143.8 | 59% | 0.587 | 82% | 0.815 | S | S | * | * | trans | 62.4 | 119.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | F785 | A783-F785 VanDerWaalsContact C-N 3.3Å; A783-F785 HydrophobicContact CB-CB 4.03Å; A783-F785 VanDerWaalsContact CB-N 3.34Å | ||
| 784 | E | 36.8 | Very low | 32.8 | Very low | 192 Ų | 192 | 145.4 Ų | 145.4 | 90% | 0.897 | 81% | 0.811 | S | S | * | * | cis | 51.1 | 19.7 | -6.1 | -138.4 | -166.2 | -174.2 | 0 | 0 | 119.1 | ||||
| 785 | F | 32.6 | Very low | 34.2 | Very low | 190 Ų | 190 | 143.7 Ų | 143.7 | 83% | 0.833 | 81% | 0.807 | S | S | * | * | trans | -149.2 | 100.7 | 163 | -82.9 | -70.5 | 0 | 0 | 0 | 106.4 | A783 | A783-F785 VanDerWaalsContact C-N 3.3Å; A783-F785 HydrophobicContact CB-CB 4.03Å; A783-F785 VanDerWaalsContact CB-N 3.34Å | ||
| 786 | G | 33.5 | Very low | 34 | Very low | 73 Ų | 73 | 144.7 Ų | 144.7 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | trans | -85.4 | 161.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 787 | I | 30.6 | Very low | 34 | Very low | 173 Ų | 173 | 144.3 Ų | 144.3 | 89% | 0.887 | 81% | 0.809 | S | S | * | * | trans | -158 | 154.5 | 141 | -99.9 | 149.3 | 0 | 0 | 0 | 107 | ||||
| 788 | L | 34.8 | Very low | 33.9 | Very low | 140 Ų | 140 | 146.9 Ų | 146.9 | 73% | 0.733 | 81% | 0.808 | S | S | * | * | trans | -91.3 | 169.6 | -167.7 | -66.6 | 88.1 | 0 | 0 | 0 | 113.9 | ||||
| 789 | D | 30.9 | Very low | 33.7 | Very low | 150 Ų | 150 | 142.9 Ų | 142.9 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | trans | 71 | 156.2 | 148 | -65.6 | -30.6 | 0 | 0 | 0 | 118 | ||||
| 790 | A | 30.1 | Very low | 33.6 | Very low | 97 Ų | 97 | 145.6 Ų | 145.6 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | cis | -134 | 167 | 12.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 791 | A | 29.1 | Very low | 33.3 | Very low | 86 Ų | 86 | 141.1 Ų | 141.1 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | trans | -95.9 | -156.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 792 | P | 48.7 | Very low | 32.8 | Very low | 117 Ų | 117 | 140.3 Ų | 140.3 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | -125.8 | -175.2 | -70.3 | 34.2 | -18.8 | 0 | 0 | 0 | 112.4 | |||||
| 793 | S | 28.6 | Very low | 32.4 | Very low | 118 Ų | 118 | 133.7 Ų | 133.7 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | 154.8 | 164.2 | 125.5 | 57.3 | 0 | 0 | 0 | 0 | 114 | |||||
| 794 | Q | 29 | Very low | 32 | Very low | 171 Ų | 171 | 138.4 Ų | 138.4 | 80% | 0.799 | 78% | 0.777 | S | S | * | * | trans | -123.6 | -151.2 | 179.5 | -69.4 | -169.2 | -21.1 | 0 | 0 | 110 | ||||
| 795 | P | 61.1 | Low | 31.6 | Very low | 95 Ų | 95 | 133.1 Ų | 133.1 | 62% | 0.617 | 77% | 0.766 | S | S | * | * | -128.6 | 156.4 | -89.4 | 38.7 | -22.8 | 0 | 0 | 0 | 114.1 | |||||
| 796 | F | 24.9 | Very low | 31.5 | Very low | 209 Ų | 209 | 129.3 Ų | 129.3 | 92% | 0.917 | 75% | 0.754 | S | S | * | * | trans | -140.4 | 168.9 | 171.8 | -58.6 | -73.4 | 0 | 0 | 0 | 112.6 | ||||
| 797 | S | 29.1 | Very low | 31.4 | Very low | 112 Ų | 112 | 134 Ų | 134 | 78% | 0.783 | 75% | 0.754 | S | S | * | * | trans | -135 | 178.5 | -163.8 | -171.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 798 | L | 25.9 | Very low | 31.4 | Very low | 152 Ų | 152 | 132.6 Ų | 132.6 | 80% | 0.796 | 74% | 0.743 | S | S | * | * | trans | 88.9 | 119.5 | 168.5 | -62.9 | 169.2 | 0 | 0 | 0 | 120 | ||||
| 799 | S | 27.6 | Very low | 31.3 | Very low | 89 Ų | 89 | 134 Ų | 134 | 62% | 0.622 | 74% | 0.743 | S | S | * | * | 81.3 | 141.2 | 123.3 | -67.5 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 800 | E | 28.4 | Very low | 31.3 | Very low | 175 Ų | 175 | 131.9 Ų | 131.9 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | trans | 69.2 | 144.7 | 146.6 | -69.3 | 173.2 | 135.1 | 0 | 0 | 118.3 | ||||
| 801 | L | 28.7 | Very low | 31.3 | Very low | 123 Ų | 123 | 132.8 Ų | 132.8 | 64% | 0.644 | 74% | 0.741 | S | S | * | * | cis | -160 | 172.3 | 9.5 | -154.1 | 67.1 | 0 | 0 | 0 | 111.4 | ||||
| 802 | Q | 27.3 | Very low | 31.5 | Very low | 172 Ų | 172 | 135.4 Ų | 135.4 | 80% | 0.804 | 74% | 0.743 | S | S | * | * | trans | 65.4 | 153.2 | 159.6 | -73.5 | 154.4 | -13 | 0 | 0 | 118.4 | ||||
| 803 | S | 28.5 | Very low | 30.8 | Very low | 102 Ų | 102 | 136.5 Ų | 136.5 | 71% | 0.713 | 74% | 0.743 | S | S | * | * | cis | -176.5 | 169.8 | -24.9 | 66 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 804 | H | 25.9 | Very low | 30.9 | Very low | 171 Ų | 171 | 139.1 Ų | 139.1 | 79% | 0.792 | 74% | 0.742 | S | S | * | * | cis | -162.6 | 168 | 3.6 | -155.9 | -80.4 | 0 | 0 | 0 | 109.5 | ||||
| 805 | A | 28.3 | Very low | 31.1 | Very low | 81 Ų | 81 | 137.6 Ų | 137.6 | 67% | 0.669 | 74% | 0.737 | S | S | * | * | trans | 71.9 | 143.2 | 159.1 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 806 | D | 30.2 | Very low | 30 | Very low | 110 Ų | 110 | 139.7 Ų | 139.7 | 59% | 0.588 | 74% | 0.744 | S | S | * | * | cis | -161 | 142.8 | -10.6 | -127.8 | 28.2 | 0 | 0 | 0 | 112.3 | ||||
| 807 | K | 31 | Very low | 30.5 | Very low | 172 Ų | 172 | 140.8 Ų | 140.8 | 75% | 0.748 | 74% | 0.742 | S | S | * | * | trans | 68.7 | 147.2 | 154 | -67.2 | 163.9 | -176.2 | 134.9 | 0 | 121.6 | ||||
| 808 | E | 32 | Very low | 31 | Very low | 143 Ų | 143 | 139 Ų | 139 | 67% | 0.668 | 73% | 0.734 | S | S | * | * | cis | -169.8 | 155.6 | -29.9 | -138.8 | -178.5 | -143.5 | 0 | 0 | 112.3 | ||||
| 809 | K | 31.7 | Very low | 31.3 | Very low | 169 Ų | 169 | 140.9 Ų | 140.9 | 74% | 0.735 | 74% | 0.739 | S | S | * | * | trans | 71.8 | 126.1 | 163.5 | -61.6 | 170.3 | 174.8 | 112.4 | 0 | 119.2 | ||||
| 810 | S | 30.5 | Very low | 31.7 | Very low | 105 Ų | 105 | 141.4 Ų | 141.4 | 73% | 0.734 | 75% | 0.748 | S | S | * | * | cis | 96.3 | 118.4 | 4.4 | 90.5 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 811 | S | 31.2 | Very low | 31.9 | Very low | 117 Ų | 117 | 137.1 Ų | 137.1 | 82% | 0.818 | 74% | 0.737 | S | S | * | * | trans | -177.6 | 140.9 | 137 | 59 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 812 | D | 32.8 | Very low | 31.9 | Very low | 140 Ų | 140 | 139.8 Ų | 139.8 | 75% | 0.749 | 74% | 0.744 | S | S | * | * | trans | -115.7 | -179.7 | -167.5 | -50.5 | -80.7 | 0 | 0 | 0 | 115.8 | ||||
| 813 | N | 33.2 | Very low | 32.1 | Very low | 141 Ų | 141 | 138.6 Ų | 138.6 | 75% | 0.754 | 74% | 0.743 | S | S | * | * | trans | 94.8 | 101.8 | 152 | -57.1 | -37.6 | 0 | 0 | 0 | 121 | ||||
| 814 | E | 31.9 | Very low | 32.2 | Very low | 173 Ų | 173 | 140.7 Ų | 140.7 | 81% | 0.808 | 75% | 0.746 | S | S | * | * | 51.2 | 123.8 | 106.1 | -169.6 | 176.4 | -128.9 | 0 | 0 | 120.6 | |||||
| 815 | I | 33.9 | Very low | 32.7 | Very low | 138 Ų | 138 | 136.2 Ų | 136.2 | 71% | 0.708 | 74% | 0.738 | S | S | * | * | -175.4 | 146.3 | 128.6 | -96.6 | 155.6 | 0 | 0 | 0 | 110.3 | |||||
| 816 | N | 36.5 | Very low | 33.5 | Very low | 140 Ų | 140 | 138.1 Ų | 138.1 | 75% | 0.749 | 74% | 0.744 | S | S | * | * | trans | -104 | 143 | -179.1 | -176.8 | -0.6 | 0 | 0 | 0 | 111.6 | A818 | N816-A818 PolarHBondContact OD1-N 3.2Š| ||
| 817 | W | 36.7 | Very low | 33.5 | Very low | 231 Ų | 231 | 137.4 Ų | 137.4 | 88% | 0.875 | 75% | 0.753 | S | S | * | * | trans | -137.3 | 49.8 | -179.9 | -80.2 | 104.2 | 0 | 0 | 0 | 113.6 | ||||
| 818 | A | 37.9 | Very low | 33.9 | Very low | 75 Ų | 75 | 138.7 Ų | 138.7 | 62% | 0.62 | 76% | 0.759 | S | S | * | * | trans | -66.6 | 155.2 | 158.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | N816 | N816-A818 PolarHBondContact OD1-N 3.2Š| ||
| 819 | E | 32.7 | Very low | 34.6 | Very low | 192 Ų | 192 | 137 Ų | 137 | 90% | 0.897 | 76% | 0.76 | S | S | * | * | trans | 87.4 | 78.9 | 175.7 | -55 | -165.4 | 174.1 | 0 | 0 | 119.6 | ||||
| 820 | A | 35.8 | Very low | 34.5 | Very low | 100 Ų | 100 | 136.8 Ų | 136.8 | 83% | 0.826 | 77% | 0.766 | S | S | * | * | trans | -158.5 | 68.8 | 146.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 821 | S | 32.2 | Very low | 34.5 | Very low | 84 Ų | 84 | 136.7 Ų | 136.7 | 59% | 0.587 | 77% | 0.766 | S | S | * | * | 50.9 | 111.9 | 80 | -167.7 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 822 | F | 30.1 | Very low | 34.5 | Very low | 180 Ų | 180 | 142.5 Ų | 142.5 | 79% | 0.789 | 77% | 0.77 | S | S | * | * | 170.3 | 119.2 | 107 | -92.3 | -68.8 | 0 | 0 | 0 | 112.2 | |||||
| 823 | L | 31.8 | Very low | 34.4 | Very low | 146 Ų | 146 | 147.4 Ų | 147.4 | 76% | 0.764 | 78% | 0.778 | S | S | * | * | trans | 63.2 | 148.1 | 145.4 | -67.1 | 166.6 | 0 | 0 | 0 | 119.7 | ||||
| 824 | D | 30.5 | Very low | 34.4 | Very low | 147 Ų | 147 | 145.8 Ų | 145.8 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | cis | -152.4 | 172.9 | -11.7 | -153.4 | -13 | 0 | 0 | 0 | 110.2 | ||||
| 825 | A | 35.3 | Very low | 34.6 | Very low | 76 Ų | 76 | 142 Ų | 142 | 63% | 0.628 | 77% | 0.77 | S | S | * | * | trans | -95.7 | -165.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 826 | P | 45.8 | Very low | 34.9 | Very low | 122 Ų | 122 | 143.7 Ų | 143.7 | 79% | 0.792 | 78% | 0.775 | S | S | * | * | cis | -134.6 | -177.1 | -9.7 | 42.2 | -25.6 | 0 | 0 | 0 | 114.6 | ||||
| 827 | A | 29.8 | Very low | 35.2 | Very low | 95 Ų | 95 | 145.6 Ų | 145.6 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | 150.1 | 154.9 | 129.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 828 | K | 38.8 | Very low | 35.3 | Very low | 198 Ų | 198 | 141.4 Ų | 141.4 | 86% | 0.861 | 76% | 0.764 | S | S | * | * | trans | -133 | 174.7 | 159 | -53.2 | 177.4 | 179.6 | 173.7 | 0 | 106.1 | ||||
| 829 | P | 47.6 | Very low | 35.5 | Very low | 107 Ų | 107 | 144.4 Ų | 144.4 | 70% | 0.695 | 77% | 0.77 | S | S | * | * | cis | -142.2 | -169.2 | 0.4 | 45.3 | -26.7 | 0 | 0 | 0 | 116.1 | ||||
| 830 | L | 29.7 | Very low | 36.1 | Very low | 165 Ų | 165 | 140.9 Ų | 140.9 | 86% | 0.864 | 75% | 0.754 | S | S | * | * | trans | 77.8 | 135 | 150.1 | -72.2 | 173 | 0 | 0 | 0 | 124.7 | ||||
| 831 | S | 30.3 | Very low | 36.5 | Very low | 103 Ų | 103 | 141.7 Ų | 141.7 | 72% | 0.72 | 74% | 0.743 | S | S | * | * | trans | 85.6 | 88.4 | 134.8 | -168.3 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 832 | R | 30.8 | Very low | 37.2 | Very low | 239 Ų | 239 | 144 Ų | 144 | 90% | 0.902 | 75% | 0.748 | S | S | * | * | 54.7 | 104.3 | 114.2 | -163.6 | -170.3 | -159.6 | -157.9 | 7.3 | 122.2 | |||||
| 833 | R | 31.6 | Very low | 37.8 | Very low | 243 Ų | 243 | 138.9 Ų | 138.9 | 92% | 0.917 | 74% | 0.74 | S | S | * | * | trans | -166.9 | 134.7 | 140.3 | -108.1 | 179.1 | 179.4 | -163.1 | -0.4 | 110.3 | ||||
| 834 | S | 33 | Very low | 38.1 | Very low | 107 Ų | 107 | 139 Ų | 139 | 75% | 0.748 | 73% | 0.734 | S | S | * | * | 69.7 | 133.9 | 95 | -166.2 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 835 | S | 35.9 | Very low | 38.5 | Very low | 93 Ų | 93 | 139.6 Ų | 139.6 | 65% | 0.65 | 74% | 0.736 | S | S | * | * | cis | -166.8 | 171 | -13.5 | 56.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 836 | H | 39.6 | Very low | 38.3 | Very low | 175 Ų | 175 | 140.7 Ų | 140.7 | 81% | 0.81 | 74% | 0.738 | S | S | * | * | trans | 32.2 | 110.7 | 163.2 | -65.3 | -71.6 | 0 | 0 | 0 | 120.7 | ||||
| 837 | K | 42.7 | Very low | 37.5 | Very low | 180 Ų | 180 | 144.4 Ų | 144.4 | 78% | 0.783 | 74% | 0.742 | S | S | * | * | trans | -159.3 | 5.9 | 150 | -120.5 | 168.6 | -173.4 | -177.8 | 0 | 118.6 | ||||
| 838 | F | 38.6 | Very low | 38.2 | Very low | 142 Ų | 142 | 145.7 Ų | 145.7 | 62% | 0.623 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -85 | -36.3 | -171.9 | -163.5 | -112.9 | 0 | 0 | 0 | 114.9 | E840 L841 L842 | F838-E840 PolarHBondContact O-N 3.15Å; F838-E840 VanDerWaalsContact O-N 3.08Å; F838-L841 PolarHBondContact O-N 3.04Å; F838-L842 HydrophobicContact CD1-CD1 4.26Å; F838-L842 HydrophobicContact CE1-CD1 3.92Å; F838-L842 HydrophobicContact CE1-CG 4.45Å |
| 839 | N | 42.5 | Very low | 37.7 | Very low | 138 Ų | 138 | 140.3 Ų | 140.3 | 74% | 0.738 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | -8.9 | -172.6 | -65.3 | 12.2 | 0 | 0 | 0 | 114.7 | ||
| 840 | E | 46 | Very low | 36.8 | Very low | 119 Ų | 119 | 143.4 Ų | 143.4 | 56% | 0.556 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | -22.3 | 178.2 | -155.4 | -169.6 | 144 | 0 | 0 | 112.9 | F838 K844 | F838-E840 PolarHBondContact O-N 3.15Å; F838-E840 VanDerWaalsContact O-N 3.08Å; E840-K844 IonicContact OE1-NZ 3.93Å; E840-K844 PolarHBondContact OE1-NZ 3.37Å; E840-K844 VanDerWaalsContact OE1-NZ 3.17Å |
| 841 | L | 44.4 | Very low | 36.7 | Very low | 117 Ų | 117 | 142.4 Ų | 142.4 | 61% | 0.613 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | -35.1 | -178.3 | -68.6 | 169.4 | 0 | 0 | 0 | 112.4 | F838 A843 K844 | F838-L841 PolarHBondContact O-N 3.04Å; L841-A843 PolarHBondContact O-N 2.92Å; L841-K844 PolarHBondContact O-N 3.46Å |
| 842 | L | 46.2 | Very low | 37 | Very low | 131 Ų | 131 | 143.2 Ų | 143.2 | 69% | 0.686 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | -11.5 | 179.8 | -65.5 | 175 | 0 | 0 | 0 | 113.9 | F838 | F838-L842 HydrophobicContact CD1-CD1 4.26Å; F838-L842 HydrophobicContact CE1-CD1 3.92Å; F838-L842 HydrophobicContact CE1-CG 4.45Å |
| 843 | A | 42.5 | Very low | 37 | Very low | 74 Ų | 74 | 135.3 Ų | 135.3 | 61% | 0.612 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | -2.2 | -179 | 0 | 0 | 0 | 0 | 0 | 114.4 | L841 | L841-A843 PolarHBondContact O-N 2.92Š|
| 844 | K | 39.5 | Very low | 37.5 | Very low | 147 Ų | 147 | 130.7 Ų | 130.7 | 64% | 0.639 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -115.1 | 5.4 | -166.5 | -74.3 | 176.9 | 178.4 | 163.6 | 0 | 116 | E840 L841 | E840-K844 IonicContact OE1-NZ 3.93Å; E840-K844 PolarHBondContact OE1-NZ 3.37Å; E840-K844 VanDerWaalsContact OE1-NZ 3.17Å; L841-K844 PolarHBondContact O-N 3.46Å |
| 845 | I | 38.3 | Very low | 37.9 | Very low | 161 Ų | 161 | 133.3 Ų | 133.3 | 83% | 0.826 | 73% | 0.733 | S | S | * | * | trans | -124.9 | 50.5 | -176.2 | -37.8 | -178.1 | 0 | 0 | 0 | 111.5 | ||||
| 846 | S | 30.1 | Very low | 38.1 | Very low | 98 Ų | 98 | 135.5 Ų | 135.5 | 69% | 0.685 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -130.5 | 75.9 | 179.5 | 64.9 | 0 | 0 | 0 | 0 | 113.6 | ||
| 847 | K | 30.6 | Very low | 38.9 | Very low | 200 Ų | 200 | 133.5 Ų | 133.5 | 87% | 0.87 | 73% | 0.727 | S | S | * | * | trans | 70.1 | 169.1 | 170.8 | -46.7 | -179.1 | -179.4 | -176.5 | 0 | 114.3 | ||||
| 848 | P | 44.1 | Very low | 39.1 | Very low | 122 Ų | 122 | 132.7 Ų | 132.7 | 79% | 0.792 | 73% | 0.726 | S | S | * | * | -134.8 | -161.4 | -60.8 | 41 | -26.2 | 0 | 0 | 0 | 111.8 | |||||
| 849 | A | 27.4 | Very low | 39.7 | Very low | 86 Ų | 86 | 133.1 Ų | 133.1 | 71% | 0.711 | 73% | 0.727 | S | S | * | * | trans | 93.2 | 109.1 | 158.3 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 850 | H | 29.1 | Very low | 40.3 | Very low | 172 Ų | 172 | 130.4 Ų | 130.4 | 80% | 0.796 | 71% | 0.713 | S | S | * | * | 49 | 139.9 | 123.5 | -96.9 | -85.8 | 0 | 0 | 0 | 122.5 | |||||
| 851 | N | 28.4 | Very low | 40.6 | Very low | 144 Ų | 144 | 129.1 Ų | 129.1 | 77% | 0.77 | 71% | 0.707 | S | S | * | * | trans | 81.4 | 138.9 | 165.9 | -47.2 | -25.1 | 0 | 0 | 0 | 114.2 | ||||
| 852 | S | 35.4 | Very low | 40.9 | Very low | 119 Ų | 119 | 130.5 Ų | 130.5 | 83% | 0.832 | 71% | 0.712 | S | S | * | * | cis | -167.5 | 157.1 | -3.4 | 43.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 853 | G | 31.4 | Very low | 41.2 | Very low | 73 Ų | 73 | 128.2 Ų | 128.2 | 75% | 0.753 | 70% | 0.703 | S | S | * | * | trans | 97.3 | 117.1 | -171.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 854 | D | 41.2 | Very low | 41.6 | Very low | 146 Ų | 146 | 132.9 Ų | 132.9 | 78% | 0.781 | 71% | 0.71 | S | S | * | * | cis | 76.1 | 50.2 | 25.2 | -148.7 | 33.8 | 0 | 0 | 0 | 114.8 | ||||
| 855 | D | 42 | Very low | 41.4 | Very low | 163 Ų | 163 | 132.3 Ų | 132.3 | 87% | 0.872 | 71% | 0.71 | S | S | * | * | trans | -114.3 | 112.2 | 148.9 | -74.8 | -56.2 | 0 | 0 | 0 | 106.4 | ||||
| 856 | F | 39.3 | Very low | 41.1 | Very low | 138 Ų | 138 | 129.9 Ų | 129.9 | 61% | 0.605 | 71% | 0.707 | S | S | * | * | trans | -116.8 | 104.4 | -177.3 | -124.6 | -75.2 | 0 | 0 | 0 | 108.9 | D860 | F856-D860 HydrophobicContact CD1-CB 4.01Å; F856-D860 HydrophobicContact CE1-CB 3.88Å | ||
| 857 | D | 57.1 | Low | 41.3 | Very low | 134 Ų | 134 | 131.9 Ų | 131.9 | 72% | 0.717 | 72% | 0.715 | S | S | * | * | trans | -70.1 | 151.3 | -174.3 | -85.2 | -35.9 | 0 | 0 | 0 | 113.1 | F859 D860 | D857-F859 PolarHBondContact O-N 3.32Å; D857-D860 PolarHBondContact O-N 3.06Å; D857-D860 VanDerWaalsContact O-N 3.11Å | ||
| 858 | E | 47.8 | Very low | 41.5 | Very low | 163 Ų | 163 | 131.3 Ų | 131.3 | 76% | 0.762 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -54.1 | -25.5 | -170.3 | -169.6 | 175 | 167.4 | 0 | 0 | 114.6 | ||
| 859 | F | 50.6 | Low | 40.8 | Very low | 150 Ų | 150 | 134 Ų | 134 | 66% | 0.658 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -67.3 | -44.7 | 179 | -166.8 | -101.9 | 0 | 0 | 0 | 112.8 | D857 Q861 M862 | D857-F859 PolarHBondContact O-N 3.32Å; F859-Q861 VanDerWaalsContact C-N 3.29Å; F859-Q861 PolarHBondContact O-N 3.43Å; F859-M862 PolarHBondContact O-N 2.97Å |
| 860 | D | 54.8 | Low | 40.9 | Very low | 82 Ų | 82 | 134.6 Ų | 134.6 | 44% | 0.439 | 72% | 0.72 | S | S | . | * | H | α-helix | trans | -73 | -23.4 | -174.5 | -72.7 | -23.8 | 0 | 0 | 0 | 112.5 | F856 D857 M862 V863 | F856-D860 HydrophobicContact CD1-CB 4.01Å; F856-D860 HydrophobicContact CE1-CB 3.88Å; D857-D860 PolarHBondContact O-N 3.06Å; D857-D860 VanDerWaalsContact O-N 3.11Å; D860-M862 VanDerWaalsContact C-N 3.35Å; D860-V863 PolarHBondContact O-N 2.92Å |
| 861 | Q | 53.4 | Low | 41.1 | Very low | 92 Ų | 92 | 131.6 Ų | 131.6 | 43% | 0.43 | 72% | 0.724 | S | S | . | * | H | α-helix | trans | -69.5 | -31 | 173.5 | -63.2 | -159.5 | 30.3 | 0 | 0 | 112.6 | F859 Q865 | F859-Q861 VanDerWaalsContact C-N 3.29Å; F859-Q861 PolarHBondContact O-N 3.43Å; Q861-Q865 WeakPolarHBondContact O-CB 3.47Å; Q861-Q865 WeakPolarHBondContact O-CG 3.41Å |
| 862 | M | 49.5 | Very low | 41.3 | Very low | 146 Ų | 146 | 129.7 Ų | 129.7 | 72% | 0.719 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -74.1 | -23.5 | 177.3 | -75.2 | -169 | -75.5 | 0 | 0 | 113.7 | F859 D860 | F859-M862 PolarHBondContact O-N 2.97Å; D860-M862 VanDerWaalsContact C-N 3.35Å |
| 863 | V | 52.8 | Low | 41.2 | Very low | 83 Ų | 83 | 129.3 Ų | 129.3 | 50% | 0.503 | 72% | 0.72 | S | S | . | * | H | α-helix | trans | -84.5 | -25.9 | -175 | -174.6 | 0 | 0 | 0 | 0 | 112.7 | D860 | D860-V863 PolarHBondContact O-N 2.92Å |
| 864 | F | 50 | Low | 41.2 | Very low | 172 Ų | 172 | 131.2 Ų | 131.2 | 75% | 0.754 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -130.1 | 12.6 | -169.8 | -66.8 | -69.7 | 0 | 0 | 0 | 116.7 | ||
| 865 | Q | 36.8 | Very low | 40.7 | Very low | 134 Ų | 134 | 127.9 Ų | 127.9 | 63% | 0.626 | 73% | 0.728 | S | S | * | * | trans | -106.4 | 56.6 | 178.8 | -66.8 | -166.3 | 39.6 | 0 | 0 | 115.3 | Q861 | Q861-Q865 WeakPolarHBondContact O-CB 3.47Å; Q861-Q865 WeakPolarHBondContact O-CG 3.41Å | ||
| 866 | S | 31.8 | Very low | 40.4 | Very low | 111 Ų | 111 | 128.9 Ų | 128.9 | 78% | 0.776 | 73% | 0.728 | S | S | * | * | trans | -173.7 | 131.2 | 148.3 | 44.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 867 | T | 33.1 | Very low | 40.2 | Very low | 139 Ų | 139 | 129 Ų | 129 | 85% | 0.853 | 74% | 0.74 | S | S | * | * | cis | -138.1 | 154.5 | 12.5 | 49.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 868 | K | 35 | Very low | 39.3 | Very low | 189 Ų | 189 | 128.2 Ų | 128.2 | 82% | 0.822 | 75% | 0.745 | S | S | * | * | trans | -144 | 125.8 | 160.1 | -163.6 | 178 | -177.4 | -179.1 | 0 | 108.6 | ||||
| 869 | E | 29.5 | Very low | 39 | Very low | 179 Ų | 179 | 128.3 Ų | 128.3 | 84% | 0.836 | 75% | 0.751 | S | S | * | * | S | Bend | trans | 67.9 | 134.7 | -170.5 | -55.4 | 175.3 | -146.3 | 0 | 0 | 113 | ||
| 870 | A | 30.1 | Very low | 38.3 | Very low | 98 Ų | 98 | 129.3 Ų | 129.3 | 81% | 0.81 | 76% | 0.759 | S | S | * | * | cis | -135.8 | 166.4 | 4.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 871 | A | 33.9 | Very low | 38.1 | Very low | 108 Ų | 108 | 130.7 Ų | 130.7 | 89% | 0.893 | 77% | 0.773 | S | S | * | * | trans | -72.2 | 124.2 | -167 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 872 | S | 32.1 | Very low | 37.8 | Very low | 105 Ų | 105 | 135.9 Ų | 135.9 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | trans | -159.7 | 140.5 | 151.1 | 57.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 873 | S | 32.8 | Very low | 38.1 | Very low | 110 Ų | 110 | 130.7 Ų | 130.7 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | trans | 55.7 | 103.1 | 160.9 | 58.4 | 0 | 0 | 0 | 0 | 121 | ||||
| 874 | A | 31 | Very low | 38.3 | Very low | 114 Ų | 114 | 132.7 Ų | 132.7 | 94% | 0.942 | 79% | 0.789 | S | S | * | * | trans | 64.7 | 138.8 | 134.7 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 875 | G | 31.8 | Very low | 38.6 | Very low | 75 Ų | 75 | 129.6 Ų | 129.6 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | trans | 125.4 | 84.5 | 150.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 876 | E | 35.9 | Very low | 39.6 | Very low | 185 Ų | 185 | 129.2 Ų | 129.2 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | trans | 24.3 | 138.6 | 144 | -64.3 | 177.4 | 145.1 | 0 | 0 | 123.8 | ||||
| 877 | T | 34.7 | Very low | 40.7 | Very low | 139 Ų | 139 | 130.3 Ų | 130.3 | 85% | 0.853 | 78% | 0.778 | S | S | * | * | trans | 62.7 | 119.4 | 158.2 | 59.4 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 878 | S | 38.4 | Very low | 41.4 | Very low | 118 Ų | 118 | 130.3 Ų | 130.3 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | -170.7 | 153.1 | 76.3 | 38.4 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 879 | D | 41.9 | Very low | 42.2 | Very low | 166 Ų | 166 | 127.9 Ų | 127.9 | 89% | 0.888 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 130.1 | -178 | -69.6 | -73.3 | 0 | 0 | 0 | 113.4 | ||
| 880 | M | 35.8 | Very low | 43 | Very low | 170 Ų | 170 | 122.6 Ų | 122.6 | 84% | 0.837 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 118.8 | 170.5 | -175.1 | 71.7 | 71.9 | 0 | 0 | 109.7 | Q882 | M880-Q882 PolarHBondContact O-N 3.4Š|
| 881 | P | 50 | Low | 43.8 | Very low | 112 Ų | 112 | 123.6 Ų | 123.6 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -69 | 120.9 | -176.8 | 26.4 | -33.7 | 0 | 0 | 0 | 112 | G883 | P881-G883 PolarHBondContact O-N 2.99Š|
| 882 | Q | 46.3 | Very low | 44.4 | Very low | 201 Ų | 201 | 125.6 Ų | 125.6 | 94% | 0.939 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | 122.1 | 177.5 | -61.4 | -178.2 | 11.2 | 0 | 0 | 110.8 | M880 | M880-Q882 PolarHBondContact O-N 3.4Š|
| 883 | G | 56.7 | Low | 44.8 | Very low | 37 Ų | 37 | 127.1 Ų | 127.1 | 38% | 0.381 | 73% | 0.73 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 162.3 | -30.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | P881 D885 L886 L887 | P881-G883 PolarHBondContact O-N 2.99Å; G883-D885 PolarHBondContact O-N 3.36Å; G883-D885 VanDerWaalsContact O-N 3.16Å; G883-L886 PolarHBondContact O-N 2.82Å; G883-L887 PolarHBondContact O-N 3.31Å |
| 884 | L | 57.8 | Low | 45.1 | Very low | 125 Ų | 125 | 128.6 Ų | 128.6 | 65% | 0.654 | 74% | 0.735 | S | S | * | * | H | α-helix | trans | -56.2 | -36.1 | -178.5 | -126.8 | 163.9 | 0 | 0 | 0 | 112.6 | L886 L887 L888 | L884-L886 VanDerWaalsContact C-N 3.26Å; L884-L886 PolarHBondContact O-N 3.24Å; L884-L887 PolarHBondContact O-N 2.93Å; L884-L888 HydrophobicContact CD2-CD1 3.9Å; L884-L888 HydrophobicContact CD2-CG 4.46Å; L884-L888 PolarHBondContact O-N 2.93Å; L884-L888 VanDerWaalsContact O-N 3.15Å |
| 885 | D | 55.8 | Low | 45.2 | Very low | 106 Ų | 106 | 129.3 Ų | 129.3 | 57% | 0.567 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -66.8 | -17.2 | 179.6 | -123.3 | 54.7 | 0 | 0 | 0 | 115.3 | G883 K889 | G883-D885 PolarHBondContact O-N 3.36Å; G883-D885 VanDerWaalsContact O-N 3.16Å; D885-K889 WeakPolarHBondContact O-CD 3.49Å; D885-K889 WeakPolarHBondContact O-CE 3.44Å; D885-K889 PolarHBondContact O-NZ 3.41Å; D885-K889 IonicContact OD2-NZ 2.82Å; D885-K889 PolarHBondContact OD2-NZ 3.11Å |
| 886 | L | 57.7 | Low | 45.1 | Very low | 127 Ų | 127 | 130.1 Ų | 130.1 | 67% | 0.665 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -91.4 | -33.7 | 172.1 | -75.6 | 112.6 | 0 | 0 | 0 | 111.8 | G883 L884 K889 | G883-L886 PolarHBondContact O-N 2.82Å; L884-L886 VanDerWaalsContact C-N 3.26Å; L884-L886 PolarHBondContact O-N 3.24Å; L886-K889 PolarHBondContact O-N 2.83Å |
| 887 | L | 53.6 | Low | 45 | Very low | 134 Ų | 134 | 128.6 Ų | 128.6 | 70% | 0.702 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -64 | -45.1 | 176.5 | -145.5 | 89.9 | 0 | 0 | 0 | 110.9 | G883 L884 K889 G890 | G883-L887 PolarHBondContact O-N 3.31Å; L884-L887 PolarHBondContact O-N 2.93Å; L887-K889 PolarHBondContact O-N 2.86Å; L887-K889 VanDerWaalsContact O-N 3.15Å; L887-G890 PolarHBondContact O-N 2.79Å |
| 888 | L | 49.5 | Very low | 45.2 | Very low | 139 Ų | 139 | 128 Ų | 128 | 73% | 0.728 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | -12.6 | 178.8 | -83.9 | 159.6 | 0 | 0 | 0 | 114.7 | L884 | L884-L888 HydrophobicContact CD2-CD1 3.9Å; L884-L888 HydrophobicContact CD2-CG 4.46Å; L884-L888 PolarHBondContact O-N 2.93Å; L884-L888 VanDerWaalsContact O-N 3.15Å |
| 889 | K | 50.6 | Low | 44.7 | Very low | 137 Ų | 137 | 130.5 Ų | 130.5 | 60% | 0.596 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.9 | -5.2 | 177.7 | -68.8 | 173.2 | -169.2 | 123.5 | 0 | 113.4 | D885 L886 L887 E891 | D885-K889 WeakPolarHBondContact O-CD 3.49Å; D885-K889 WeakPolarHBondContact O-CE 3.44Å; D885-K889 PolarHBondContact O-NZ 3.41Å; D885-K889 IonicContact OD2-NZ 2.82Å; D885-K889 PolarHBondContact OD2-NZ 3.11Å; L886-K889 PolarHBondContact O-N 2.83Å; L887-K889 PolarHBondContact O-N 2.86Å; L887-K889 VanDerWaalsContact O-N 3.15Å; K889-E891 VanDerWaalsContact C-N 3.26Å; K889-E891 PolarHBondContact O-N 2.69Å |
| 890 | G | 47.7 | Very low | 44 | Very low | 68 Ų | 68 | 128.6 Ų | 128.6 | 70% | 0.701 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 69 | 13.2 | 172 | 0 | 0 | 0 | 0 | 0 | 116 | L887 | L887-G890 PolarHBondContact O-N 2.79Š|
| 891 | E | 45 | Very low | 43.5 | Very low | 119 Ų | 119 | 131.9 Ų | 131.9 | 56% | 0.556 | 72% | 0.718 | S | S | * | * | trans | -103.5 | 72.1 | -176.2 | -67.7 | -159.8 | 139.3 | 0 | 0 | 113.3 | K889 K893 | K889-E891 VanDerWaalsContact C-N 3.26Å; K889-E891 PolarHBondContact O-N 2.69Å; E891-K893 PolarHBondContact O-N 3.46Å; E891-K893 IonicContact OE1-NZ 2.61Å; E891-K893 PolarHBondContact OE1-NZ 2.91Å; E891-K893 WeakPolarHBondContact OE2-CE 3.43Å; E891-K893 IonicContact OE2-NZ 3.17Å; E891-K893 PolarHBondContact OE2-NZ 3.44Å | ||
| 892 | I | 47.5 | Very low | 42.6 | Very low | 151 Ų | 151 | 130.9 Ų | 130.9 | 77% | 0.774 | 72% | 0.719 | S | S | * | * | trans | -82.5 | 93.7 | 166.9 | -54.6 | 178.7 | 0 | 0 | 0 | 108.7 | T894 | I892-T894 PolarHBondContact O-N 2.91Š| ||
| 893 | K | 40 | Very low | 41.8 | Very low | 136 Ų | 136 | 127.7 Ų | 127.7 | 59% | 0.591 | 72% | 0.716 | S | S | * | * | trans | -89.8 | 102.1 | -177.1 | -72.9 | 171 | 175.9 | 154.7 | 0 | 112 | E891 T895 | E891-K893 PolarHBondContact O-N 3.46Å; E891-K893 IonicContact OE1-NZ 2.61Å; E891-K893 PolarHBondContact OE1-NZ 2.91Å; E891-K893 WeakPolarHBondContact OE2-CE 3.43Å; E891-K893 IonicContact OE2-NZ 3.17Å; E891-K893 PolarHBondContact OE2-NZ 3.44Å; K893-T895 HydrophobicContact CB-CG2 4.31Å; K893-T895 PolarHBondContact O-N 3.19Å; K893-T895 VanDerWaalsContact O-N 3.15Å | ||
| 894 | T | 39 | Very low | 40.3 | Very low | 142 Ų | 142 | 129 Ų | 129 | 87% | 0.871 | 73% | 0.73 | S | S | * | * | trans | -72.4 | 98 | 163.2 | 42.2 | 0 | 0 | 0 | 0 | 109.5 | I892 | I892-T894 PolarHBondContact O-N 2.91Š| ||
| 895 | T | 34 | Very low | 39.2 | Very low | 128 Ų | 128 | 130.6 Ų | 130.6 | 79% | 0.785 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 125.5 | -173.6 | 44 | 0 | 0 | 0 | 0 | 112.5 | K893 | K893-T895 HydrophobicContact CB-CG2 4.31Å; K893-T895 PolarHBondContact O-N 3.19Å; K893-T895 VanDerWaalsContact O-N 3.15Å |
| 896 | A | 28.5 | Very low | 38 | Very low | 93 Ų | 93 | 134.3 Ų | 134.3 | 77% | 0.769 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 171.7 | 164.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 897 | I | 35.1 | Very low | 36.7 | Very low | 152 Ų | 152 | 134 Ų | 134 | 78% | 0.779 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 145 | -174.1 | -58.1 | 152.8 | 0 | 0 | 0 | 113.2 | E899 | I897-E899 HydrophobicContact CG2-CG 4.37Š|
| 898 | P | 37.6 | Very low | 35.8 | Very low | 126 Ų | 126 | 133.7 Ų | 133.7 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | -125.8 | 151 | 125.4 | 3.7 | 17.6 | 0 | 0 | 0 | 113.5 | |||||
| 899 | E | 28.8 | Very low | 35.3 | Very low | 172 Ų | 172 | 135 Ų | 135 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | trans | -83.2 | 160.4 | -178.5 | -57.2 | 162.6 | 99.8 | 0 | 0 | 113.3 | I897 | I897-E899 HydrophobicContact CG2-CG 4.37Š| ||
| 900 | T | 27.5 | Very low | 34.5 | Very low | 125 Ų | 125 | 137 Ų | 137 | 77% | 0.767 | 78% | 0.78 | S | S | * | * | 162.4 | 139.8 | 109.1 | -53.2 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 901 | R | 23.9 | Very low | 34.2 | Very low | 240 Ų | 240 | 136 Ų | 136 | 91% | 0.906 | 76% | 0.761 | S | S | * | * | trans | 91 | 142 | 168.3 | -57.8 | -171.8 | 169.2 | 172.6 | -3.3 | 117.1 | ||||
| 902 | A | 31.8 | Very low | 34.2 | Very low | 90 Ų | 90 | 137.6 Ų | 137.6 | 74% | 0.744 | 77% | 0.769 | S | S | * | * | trans | -78 | 154.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 903 | P | 30.1 | Very low | 34.3 | Very low | 134 Ų | 134 | 136.5 Ų | 136.5 | 87% | 0.87 | 76% | 0.76 | S | S | * | * | -118.7 | -159.1 | 81.8 | 41.8 | -36.4 | 0 | 0 | 0 | 109.8 | |||||
| 904 | G | 24.4 | Very low | 35 | Very low | 66 Ų | 66 | 133.3 Ų | 133.3 | 68% | 0.68 | 75% | 0.752 | S | S | * | * | cis | 154.9 | 150.3 | 17.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 905 | N | 35.5 | Very low | 35.3 | Very low | 158 Ų | 158 | 131.3 Ų | 131.3 | 85% | 0.845 | 74% | 0.736 | S | S | * | * | trans | -73.4 | 138.4 | -174 | -59 | -21.5 | 0 | 0 | 0 | 112.8 | ||||
| 906 | Q | 29.7 | Very low | 36 | Very low | 183 Ų | 183 | 128.8 Ų | 128.8 | 86% | 0.855 | 72% | 0.72 | S | S | * | * | trans | -172 | 141.5 | 137.4 | -106.9 | 148.1 | 104.5 | 0 | 0 | 114.9 | ||||
| 907 | T | 30.6 | Very low | 36.6 | Very low | 121 Ų | 121 | 131.8 Ų | 131.8 | 74% | 0.742 | 72% | 0.723 | S | S | * | * | trans | 34.9 | 136.5 | 153.8 | 53.4 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 908 | P | 35.6 | Very low | 37.9 | Very low | 127 Ų | 127 | 127.6 Ų | 127.6 | 83% | 0.825 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 153 | 168.9 | 35 | -34.4 | 0 | 0 | 0 | 112.8 | ||
| 909 | I | 38.3 | Very low | 38.4 | Very low | 166 Ų | 166 | 126 Ų | 126 | 85% | 0.851 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -95.5 | 135.7 | 173.9 | -62.2 | 169.6 | 0 | 0 | 0 | 109.3 | ||
| 910 | E | 34.4 | Very low | 39.8 | Very low | 180 Ų | 180 | 122 Ų | 122 | 84% | 0.841 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 138.3 | 176 | -65 | -170.9 | 129.8 | 0 | 0 | 112.1 | ||
| 911 | P | 40.8 | Very low | 41 | Very low | 47 Ų | 47 | 122.1 Ų | 122.1 | 31% | 0.305 | 68% | 0.676 | S | S | . | * | P | Polyproline II helix | trans | -79 | 123.4 | 175.4 | 31.8 | -32.2 | 0 | 0 | 0 | 110.7 | Q913 R924 | P911-Q913 PolarHBondContact O-N 3.28Å; P911-R924 HydrophobicContact CB-CG 4.19Å |
| 912 | Q | 45.6 | Very low | 42.1 | Very low | 153 Ų | 153 | 113.6 Ų | 113.6 | 72% | 0.715 | 65% | 0.653 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -63.8 | 123 | 176.1 | -170.9 | 173.1 | 9.4 | 0 | 0 | 110.3 | V923 | Q912-V923 PolarHBondContact O-N 3.03Å |
| 913 | Q | 49.2 | Very low | 43.1 | Very low | 127 Ų | 127 | 112.9 Ų | 112.9 | 59% | 0.593 | 64% | 0.64 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -89.2 | 141.3 | 177.5 | -71.1 | -178.7 | -9.7 | 0 | 0 | 111 | P911 V920 Y921 | P911-Q913 PolarHBondContact O-N 3.28Å; Q913-V920 HydrophobicContact CB-CG1 3.76Å; Q913-V920 HydrophobicContact CG-CG1 3.88Å; Q913-Y921 WeakPolarHBondContact CA-O 3.3Å |
| 914 | V | 54 | Low | 44 | Very low | 69 Ų | 69 | 115.3 Ų | 115.3 | 42% | 0.418 | 63% | 0.632 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -133.8 | 124.9 | 173.7 | -176.4 | 0 | 0 | 0 | 0 | 107.9 | V916 Y921 V923 | V914-V916 HydrophobicContact CG1-CG2 4.28Å; V914-Y921 PolarHBondContact N-O 3.1Å; V914-Y921 PolarHBondContact O-N 2.88Å; V914-V923 HydrophobicContact CB-CG2 4.25Å; V914-V923 HydrophobicContact CG2-CG2 3.83Å |
| 915 | D | 45.1 | Very low | 45.1 | Very low | 100 Ų | 100 | 117.5 Ų | 117.5 | 54% | 0.535 | 63% | 0.632 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.4 | 132.4 | 174.2 | -172.5 | 4.7 | 0 | 0 | 0 | 110.1 | G918 N919 | D915-G918 VanDerWaalsContact OD1-C 3.31Å; D915-G918 VanDerWaalsContact OD1-CA 3.26Å; D915-G918 WeakPolarHBondContact OD1-CA 3.45Å; D915-G918 PolarHBondContact OD1-N 3.25Å; D915-N919 PolarHBondContact OD1-N 2.88Å |
| 916 | V | 50.3 | Low | 45.4 | Very low | 75 Ų | 75 | 113.3 Ų | 113.3 | 46% | 0.455 | 61% | 0.614 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -141.5 | 127.5 | 170.1 | -174.1 | 0 | 0 | 0 | 0 | 107.6 | V914 G918 N919 Y921 | V914-V916 HydrophobicContact CG1-CG2 4.28Å; V916-G918 PolarHBondContact O-N 3.38Å; V916-N919 PolarHBondContact N-O 3.15Å; V916-N919 PolarHBondContact O-N 2.91Å; V916-Y921 HydrophobicContact CB-CD2 4.44Å; V916-Y921 HydrophobicContact CB-CE2 4.22Å |
| 917 | D | 41 | Very low | 46.2 | Very low | 156 Ų | 156 | 112.6 Ų | 112.6 | 83% | 0.834 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 50.8 | 39.1 | -177.6 | -57.4 | -26.5 | 0 | 0 | 0 | 113.8 | N919 | D917-N919 VanDerWaalsContact C-N 3.33Å; D917-N919 PolarHBondContact O-N 2.81Å; D917-N919 PolarHBondContact O-ND2 2.99Å |
| 918 | G | 61.6 | Low | 47.1 | Very low | 64 Ų | 64 | 110.9 Ų | 110.9 | 66% | 0.66 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 75 | 17 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | D915 V916 | D915-G918 VanDerWaalsContact OD1-C 3.31Å; D915-G918 VanDerWaalsContact OD1-CA 3.26Å; D915-G918 WeakPolarHBondContact OD1-CA 3.45Å; D915-G918 PolarHBondContact OD1-N 3.25Å; V916-G918 PolarHBondContact O-N 3.38Å |
| 919 | N | 49.3 | Very low | 48.1 | Very low | 92 Ų | 92 | 110.3 Ų | 110.3 | 49% | 0.492 | 60% | 0.596 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -119.4 | 122.3 | 176 | -73.4 | -81.6 | 0 | 0 | 0 | 110.2 | D915 V916 D917 Y921 | D915-N919 PolarHBondContact OD1-N 2.88Å; V916-N919 PolarHBondContact N-O 3.15Å; V916-N919 PolarHBondContact O-N 2.91Å; D917-N919 VanDerWaalsContact C-N 3.33Å; D917-N919 PolarHBondContact O-N 2.81Å; D917-N919 PolarHBondContact O-ND2 2.99Å; N919-Y921 HydrophobicContact CB-CD2 4.44Å; N919-Y921 HydrophobicContact CB-CE1 4.48Å; N919-Y921 HydrophobicContact CB-CE2 3.65Å; N919-Y921 WeakPolarHBondContact O-CD2 3.36Å; N919-Y921 WeakPolarHBondContact O-CE2 3.5Å; N919-Y921 PolarHBondContact O-N 3.07Å |
| 920 | V | 57.6 | Low | 49.2 | Very low | 88 Ų | 88 | 107.2 Ų | 107.2 | 53% | 0.533 | 58% | 0.576 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -83.5 | 101.3 | -177.2 | -175.8 | 0 | 0 | 0 | 0 | 110.7 | Q913 | Q913-V920 HydrophobicContact CB-CG1 3.76Å; Q913-V920 HydrophobicContact CG-CG1 3.88Å |
| 921 | Y | 52.8 | Low | 50.7 | Low | 129 Ų | 129 | 101.2 Ų | 101.2 | 51% | 0.506 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.8 | 122.6 | 179.1 | -60.7 | -80.2 | 0 | 0 | 0 | 111.5 | Q913 V914 V916 N919 V923 | Q913-Y921 WeakPolarHBondContact CA-O 3.3Å; V914-Y921 PolarHBondContact N-O 3.1Å; V914-Y921 PolarHBondContact O-N 2.88Å; V916-Y921 HydrophobicContact CB-CD2 4.44Å; V916-Y921 HydrophobicContact CB-CE2 4.22Å; N919-Y921 HydrophobicContact CB-CD2 4.44Å; N919-Y921 HydrophobicContact CB-CE1 4.48Å; N919-Y921 HydrophobicContact CB-CE2 3.65Å; N919-Y921 WeakPolarHBondContact O-CD2 3.36Å; N919-Y921 WeakPolarHBondContact O-CE2 3.5Å; N919-Y921 PolarHBondContact O-N 3.07Å; Y921-V923 PolarHBondContact O-N 3.15Å |
| 922 | S | 45.8 | Very low | 52.1 | Low | 60 Ų | 60 | 103.5 Ų | 103.5 | 42% | 0.42 | 56% | 0.562 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.1 | 98.6 | 172.6 | -68.5 | 0 | 0 | 0 | 0 | 110.9 | R924 | S922-R924 PolarHBondContact O-N 2.91Å |
| 923 | V | 53.8 | Low | 53.3 | Low | 76 Ų | 76 | 96.8 Ų | 96.8 | 46% | 0.461 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 118.8 | -177.9 | -177.1 | 0 | 0 | 0 | 0 | 110.1 | Q912 V914 Y921 | Q912-V923 PolarHBondContact O-N 3.03Å; V914-V923 HydrophobicContact CB-CG2 4.25Å; V914-V923 HydrophobicContact CG2-CG2 3.83Å; Y921-V923 PolarHBondContact O-N 3.15Å |
| 924 | R | 47.9 | Very low | 54.2 | Low | 185 Ų | 185 | 93.6 Ų | 93.6 | 70% | 0.698 | 53% | 0.526 | S | S | * | . | trans | -116.4 | 122.5 | 172.4 | -63.9 | -171.7 | -176.7 | -141.1 | 0.3 | 109.9 | P911 S922 C926 | P911-R924 HydrophobicContact CB-CG 4.19Å; S922-R924 PolarHBondContact O-N 2.91Å; R924-C926 PolarHBondContact O-N 3.19Å | ||
| 925 | V | 48.2 | Very low | 55.1 | Low | 112 Ų | 112 | 95.1 Ų | 95.1 | 68% | 0.679 | 54% | 0.536 | S | S | * | . | trans | -77.6 | 89.5 | 177.9 | -170.1 | 0 | 0 | 0 | 0 | 109.6 | H927 | V925-H927 WeakPolarHBondContact CG1-CE1 3.12Å; V925-H927 PolarHBondContact O-N 2.84Å; V925-H927 PolarHBondContact O-ND1 2.78Å | ||
| 926 | C | 41.4 | Very low | 56.5 | Low | 70 Ų | 70 | 92 Ų | 92 | 47% | 0.473 | 52% | 0.519 | S | S | . | . | trans | -69.3 | 96 | 178.1 | -71.3 | 0 | 0 | 0 | 0 | 111.5 | R924 T928 | R924-C926 PolarHBondContact O-N 3.19Å; C926-T928 PolarHBondContact O-N 2.92Å | ||
| 927 | H | 45.8 | Very low | 58 | Low | 168 Ų | 168 | 91.6 Ų | 91.6 | 78% | 0.778 | 52% | 0.518 | S | S | * | . | trans | -75.2 | 6.7 | 175.1 | -69.4 | 78.7 | 0 | 0 | 0 | 113.9 | V925 P929 | V925-H927 WeakPolarHBondContact CG1-CE1 3.12Å; V925-H927 PolarHBondContact O-N 2.84Å; V925-H927 PolarHBondContact O-ND1 2.78Å; H927-P929 WeakPolarHBondContact O-CD 3.28Å | ||
| 928 | T | 50.5 | Low | 59.7 | Low | 85 Ų | 85 | 88.5 Ų | 88.5 | 52% | 0.521 | 50% | 0.498 | S | S | . | . | P | Polyproline II helix | trans | -77.4 | 118.8 | 178.8 | 48.9 | 0 | 0 | 0 | 0 | 110.7 | C926 | C926-T928 PolarHBondContact O-N 2.92Š|
| 929 | P | 57.3 | Low | 60.4 | Low | 114 Ų | 114 | 89.6 Ų | 89.6 | 74% | 0.74 | 50% | 0.496 | S | S | * | . | P | Polyproline II helix | trans | -64.2 | 144.7 | 173.4 | 27.8 | -34.2 | 0 | 0 | 0 | 110.4 | H927 P931 | H927-P929 WeakPolarHBondContact O-CD 3.28Å; P929-P931 WeakPolarHBondContact O-CD 3.31Å; P929-P931 VanDerWaalsContact O-N 3.15Å |
| 930 | K | 60.8 | Low | 62 | Low | 101 Ų | 101 | 88.8 Ų | 88.8 | 44% | 0.439 | 49% | 0.489 | S | S | . | . | P | Polyproline II helix | trans | -51.5 | 118.9 | -179.4 | 177.3 | 174.9 | 173.9 | 176.3 | 0 | 110.6 | D932 E963 Y966 | K930-D932 PolarHBondContact O-N 3.13Å; K930-E963 IonicContact NZ-OE1 3.91Å; K930-E963 PolarHBondContact NZ-OE1 3Å; K930-Y966 WeakPolarHBondContact CA-OH 3.46Å; K930-Y966 HydrophobicContact CB-CE1 4Å; K930-Y966 HydrophobicContact CD-CD1 4.38Å; K930-Y966 HydrophobicContact CD-CE1 4.24Å; K930-Y966 HydrophobicContact CG-CD1 4.19Å; K930-Y966 HydrophobicContact CG-CE1 3.88Å |
| 931 | P | 66.9 | Low | 63.1 | Low | 54 Ų | 54 | 84.6 Ų | 84.6 | 35% | 0.351 | 46% | 0.464 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 128.5 | 176.7 | -22.7 | 33.6 | 0 | 0 | 0 | 110.5 | P929 F933 | P929-P931 WeakPolarHBondContact O-CD 3.31Å; P929-P931 VanDerWaalsContact O-N 3.15Å; P931-F933 VanDerWaalsContact C-N 3.26Å; P931-F933 HydrophobicContact CB-CD1 4.38Å; P931-F933 HydrophobicContact CB-CE1 4Å; P931-F933 HydrophobicContact CB-CE2 4.37Å; P931-F933 HydrophobicContact CB-CZ 4Å; P931-F933 HydrophobicContact CG-CE1 4.44Å; P931-F933 HydrophobicContact CG-CZ 4.14Å; P931-F933 WeakPolarHBondContact O-CD2 3.39Å; P931-F933 PolarHBondContact O-N 3.4Å |
| 932 | D | 68.7 | Low | 64.4 | Low | 95 Ų | 95 | 81 Ų | 81 | 51% | 0.508 | 45% | 0.453 | S | S | . | . | trans | -77.9 | 82.3 | 172.7 | -172 | -4.4 | 0 | 0 | 0 | 110.2 | K930 A934 T935 | K930-D932 PolarHBondContact O-N 3.13Å; D932-A934 PolarHBondContact O-N 3.11Å; D932-A934 WeakPolarHBondContact OD1-CB 3.44Å; D932-A934 PolarHBondContact OD1-N 2.9Å; D932-T935 HydrophobicContact CB-CG2 4.25Å; D932-T935 PolarHBondContact O-N 3.06Å; D932-T935 PolarHBondContact O-OG1 3.26Å; D932-T935 WeakPolarHBondContact OD2-CG2 3.26Å | ||
| 933 | F | 70.9 | Confident | 66.1 | Low | 13 Ų | 13 | 83.6 Ų | 83.6 | 6% | 0.057 | 46% | 0.458 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -18.5 | 175.2 | -57.1 | -71.2 | 0 | 0 | 0 | 113.4 | P931 T935 L936 I941 Q944 V959 L962 Y966 | P931-F933 VanDerWaalsContact C-N 3.26Å; P931-F933 HydrophobicContact CB-CD1 4.38Å; P931-F933 HydrophobicContact CB-CE1 4Å; P931-F933 HydrophobicContact CB-CE2 4.37Å; P931-F933 HydrophobicContact CB-CZ 4Å; P931-F933 HydrophobicContact CG-CE1 4.44Å; P931-F933 HydrophobicContact CG-CZ 4.14Å; P931-F933 WeakPolarHBondContact O-CD2 3.39Å; P931-F933 PolarHBondContact O-N 3.4Å; F933-T935 VanDerWaalsContact C-N 3.33Å; F933-L936 HydrophobicContact CD1-CD1 4.12Å; F933-I941 VanDerWaalsContact O-CD1 3.3Å; F933-I941 WeakPolarHBondContact O-CD1 3.19Å; F933-Q944 VanDerWaalsContact CE1-OE1 3.31Å; F933-V959 HydrophobicContact CB-CB 4.5Å; F933-V959 HydrophobicContact CB-CG1 4.05Å; F933-V959 HydrophobicContact CB-CG2 4.28Å; F933-V959 VanDerWaalsContact O-CG2 3.26Å; F933-V959 WeakPolarHBondContact O-CG2 3.1Å; F933-L962 HydrophobicContact CD1-CB 3.87Å; F933-L962 HydrophobicContact CD1-CD1 3.85Å; F933-L962 HydrophobicContact CD1-CG 4.47Å; F933-L962 HydrophobicContact CD2-CB 4.29Å; F933-L962 HydrophobicContact CE1-CB 3.9Å; F933-L962 HydrophobicContact CE1-CD1 4.24Å; F933-L962 HydrophobicContact CE2-CB 4.32Å; F933-L962 HydrophobicContact CG-CB 4.08Å; F933-L962 HydrophobicContact CZ-CB 4.13Å; F933-Y966 HydrophobicContact CE2-CD2 4.47Å; F933-Y966 HydrophobicContact CE2-CG 4.4Å; F933-Y966 HydrophobicContact CZ-CD2 4.38Å |
| 934 | A | 68.7 | Low | 67.3 | Low | 59 Ų | 59 | 81.6 Ų | 81.6 | 49% | 0.488 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -25.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | D932 R955 | D932-A934 PolarHBondContact O-N 3.11Å; D932-A934 WeakPolarHBondContact OD1-CB 3.44Å; D932-A934 PolarHBondContact OD1-N 2.9Å; A934-R955 PolarHBondContact O-NH2 3.16Å |
| 935 | T | 71.8 | Confident | 69.1 | Low | 101 Ų | 101 | 72.8 Ų | 72.8 | 62% | 0.62 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -34.2 | -179.2 | 63.1 | 0 | 0 | 0 | 0 | 113.8 | D932 F933 | D932-T935 HydrophobicContact CB-CG2 4.25Å; D932-T935 PolarHBondContact O-N 3.06Å; D932-T935 PolarHBondContact O-OG1 3.26Å; D932-T935 WeakPolarHBondContact OD2-CG2 3.26Å; F933-T935 VanDerWaalsContact C-N 3.33Å |
| 936 | L | 75.3 | Confident | 70.8 | Confident | 34 Ų | 34 | 73.2 Ų | 73.2 | 18% | 0.178 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -57.2 | 147.2 | -174.7 | -63.2 | -179 | 0 | 0 | 0 | 113.2 | F933 I941 R955 | F933-L936 HydrophobicContact CD1-CD1 4.12Å; L936-I941 HydrophobicContact CB-CD1 4.29Å; L936-I941 HydrophobicContact CB-CG1 3.89Å; L936-I941 WeakPolarHBondContact O-CD1 3.49Å; L936-R955 PolarHBondContact O-NH1 2.91Å; L936-R955 PolarHBondContact O-NH2 3.4Å |
| 937 | P | 81.3 | Confident | 72.9 | Confident | 67 Ų | 67 | 77.5 Ų | 77.5 | 44% | 0.435 | 41% | 0.412 | S | S | . | . | trans | -64 | 151.4 | 175.8 | 26.5 | -33.1 | 0 | 0 | 0 | 111.8 | S939 E940 I941 | P937-S939 PolarHBondContact O-N 3.38Å; P937-E940 WeakPolarHBondContact CD-OE2 3.15Å; P937-E940 HydrophobicContact CG-CB 3.8Å; P937-E940 PolarHBondContact O-N 2.92Å; P937-I941 PolarHBondContact O-N 3.23Å; P937-I941 VanDerWaalsContact O-N 3.08Å | ||
| 938 | E | 78.5 | Confident | 74.5 | Confident | 91 Ų | 91 | 75.3 Ų | 75.3 | 43% | 0.425 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.8 | -31.4 | -174.9 | -173.1 | 160.1 | -157.2 | 0 | 0 | 112.5 | E940 I941 L942 R955 | E938-E940 VanDerWaalsContact C-N 3.32Å; E938-E940 PolarHBondContact O-N 3.31Å; E938-I941 PolarHBondContact O-N 2.9Å; E938-L942 HydrophobicContact CG-CD1 4.29Å; E938-L942 HydrophobicContact CG-CG 4.37Å; E938-L942 WeakPolarHBondContact O-CB 3.49Å; E938-L942 WeakPolarHBondContact O-CG 3.39Å; E938-L942 PolarHBondContact O-N 3.39Å; E938-R955 HydrophobicContact CG-CB 4.41Å; E938-R955 WeakPolarHBondContact OE1-CB 3.41Å; E938-R955 PolarHBondContact OE1-N 3.04Å |
| 939 | S | 75.6 | Confident | 76 | Confident | 88 Ų | 88 | 74.6 Ų | 74.6 | 62% | 0.615 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -59.2 | -39.2 | 171.5 | 50 | 0 | 0 | 0 | 0 | 113.4 | P937 Q943 | P937-S939 PolarHBondContact O-N 3.38Å; S939-Q943 WeakPolarHBondContact O-CB 3.21Å; S939-Q943 PolarHBondContact O-N 3.13Å |
| 940 | E | 81.9 | Confident | 77.3 | Confident | 74 Ų | 74 | 71.4 Ų | 71.4 | 35% | 0.346 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -79.5 | -38.2 | -178.1 | -175 | 172.7 | -175.7 | 0 | 0 | 111.6 | P937 E938 L942 Q943 Q944 | P937-E940 WeakPolarHBondContact CD-OE2 3.15Å; P937-E940 HydrophobicContact CG-CB 3.8Å; P937-E940 PolarHBondContact O-N 2.92Å; E938-E940 VanDerWaalsContact C-N 3.32Å; E938-E940 PolarHBondContact O-N 3.31Å; E940-L942 VanDerWaalsContact C-N 3.31Å; E940-L942 PolarHBondContact O-N 2.98Å; E940-Q943 CarbonylContact O-C 3.6Å; E940-Q943 PolarHBondContact O-N 2.72Å; E940-Q944 WeakPolarHBondContact O-CB 3.16Å; E940-Q944 WeakPolarHBondContact O-CG 3.31Å; E940-Q944 PolarHBondContact O-N 3.39Å |
| 941 | I | 82.2 | Confident | 78.5 | Confident | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -57.7 | -44.7 | 169.8 | -69.7 | 169.4 | 0 | 0 | 0 | 110.6 | F933 L936 P937 E938 Q944 L945 R955 A958 V959 L962 | F933-I941 VanDerWaalsContact O-CD1 3.3Å; F933-I941 WeakPolarHBondContact O-CD1 3.19Å; L936-I941 HydrophobicContact CB-CD1 4.29Å; L936-I941 HydrophobicContact CB-CG1 3.89Å; L936-I941 WeakPolarHBondContact O-CD1 3.49Å; P937-I941 PolarHBondContact O-N 3.23Å; P937-I941 VanDerWaalsContact O-N 3.08Å; E938-I941 PolarHBondContact O-N 2.9Å; I941-Q944 PolarHBondContact O-N 2.87Å; I941-L945 PolarHBondContact O-N 2.99Å; I941-R955 HydrophobicContact CD1-CG 4.1Å; I941-A958 HydrophobicContact CG2-CB 3.37Å; I941-V959 HydrophobicContact CD1-CG2 3.89Å; I941-L962 HydrophobicContact CB-CD1 4.43Å; I941-L962 HydrophobicContact CG2-CD1 3.93Å |
| 942 | L | 78.8 | Confident | 79.1 | Confident | 54 Ų | 54 | 77 Ų | 77 | 28% | 0.283 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -69.4 | -34.9 | 176 | -68.5 | -178.2 | 0 | 0 | 0 | 112.4 | E938 E940 L945 Y946 P952 L953 | E938-L942 HydrophobicContact CG-CD1 4.29Å; E938-L942 HydrophobicContact CG-CG 4.37Å; E938-L942 WeakPolarHBondContact O-CB 3.49Å; E938-L942 WeakPolarHBondContact O-CG 3.39Å; E938-L942 PolarHBondContact O-N 3.39Å; E940-L942 VanDerWaalsContact C-N 3.31Å; E940-L942 PolarHBondContact O-N 2.98Å; L942-L945 HydrophobicContact CD2-CD1 4.24Å; L942-L945 PolarHBondContact O-N 3.47Å; L942-Y946 WeakPolarHBondContact O-CB 3.44Å; L942-Y946 PolarHBondContact O-N 3.1Å; L942-P952 HydrophobicContact CD1-CB 4.38Å; L942-P952 HydrophobicContact CD2-CB 3.63Å; L942-P952 HydrophobicContact CG-CB 4.48Å; L942-L953 WeakPolarHBondContact CD2-O 3.4Å |
| 943 | Q | 81.6 | Confident | 79.7 | Confident | 114 Ų | 114 | 74.9 Ų | 74.9 | 53% | 0.533 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -67 | -37.7 | 173.8 | -170.1 | -178.7 | 15.5 | 0 | 0 | 112 | S939 E940 Y946 K947 | S939-Q943 WeakPolarHBondContact O-CB 3.21Å; S939-Q943 PolarHBondContact O-N 3.13Å; E940-Q943 CarbonylContact O-C 3.6Å; E940-Q943 PolarHBondContact O-N 2.72Å; Q943-Y946 PolarHBondContact O-N 3.44Å; Q943-K947 WeakPolarHBondContact O-CG 3.49Å; Q943-K947 PolarHBondContact O-N 2.87Å |
| 944 | Q | 80.5 | Confident | 80.3 | Confident | 34 Ų | 34 | 82.1 Ų | 82.1 | 16% | 0.159 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -66.6 | -44.5 | 174 | -72.7 | 173 | 0.1 | 0 | 0 | 111 | F933 E940 I941 Y946 K947 Y948 L962 | F933-Q944 VanDerWaalsContact CE1-OE1 3.31Å; E940-Q944 WeakPolarHBondContact O-CB 3.16Å; E940-Q944 WeakPolarHBondContact O-CG 3.31Å; E940-Q944 PolarHBondContact O-N 3.39Å; I941-Q944 PolarHBondContact O-N 2.87Å; Q944-Y946 VanDerWaalsContact C-N 3.3Å; Q944-Y946 PolarHBondContact O-N 3.04Å; Q944-K947 WeakPolarHBondContact O-CB 3.43Å; Q944-K947 PolarHBondContact O-N 3.49Å; Q944-Y948 WeakPolarHBondContact O-CD2 3.28Å; Q944-Y948 PolarHBondContact O-N 3.38Å; Q944-Y948 VanDerWaalsContact O-N 3.16Å; Q944-L962 HydrophobicContact CB-CD1 3.97Å; Q944-L962 HydrophobicContact CB-CD2 3.82Å |
| 945 | L | 84.7 | Confident | 80.8 | Confident | 0 Ų | 0 | 83.1 Ų | 83.1 | 0% | 0 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -57 | -43.6 | 171.1 | -75.6 | -177.4 | 0 | 0 | 0 | 112.2 | I941 L942 K947 Y948 G949 I950 L953 A958 M961 L962 | I941-L945 PolarHBondContact O-N 2.99Å; L942-L945 HydrophobicContact CD2-CD1 4.24Å; L942-L945 PolarHBondContact O-N 3.47Å; L945-K947 VanDerWaalsContact C-N 3.34Å; L945-K947 PolarHBondContact O-N 3.04Å; L945-Y948 CarbonylContact O-C 3.59Å; L945-Y948 WeakPolarHBondContact O-CA 3.4Å; L945-Y948 PolarHBondContact O-N 2.95Å; L945-Y948 VanDerWaalsContact O-N 3.07Å; L945-G949 PolarHBondContact O-N 3.03Å; L945-I950 CarbonylContact C-O 3.59Å; L945-I950 HydrophobicContact CB-CB 4.3Å; L945-I950 HydrophobicContact CD2-CB 4.13Å; L945-I950 HydrophobicContact CD2-CD1 4.36Å; L945-I950 HydrophobicContact CD2-CG2 4.08Å; L945-I950 PolarHBondContact O-N 3.06Å; L945-L953 HydrophobicContact CD1-CB 3.89Å; L945-L953 HydrophobicContact CD1-CD1 4.04Å; L945-L953 HydrophobicContact CD1-CG 4.35Å; L945-A958 HydrophobicContact CD1-CB 3.5Å; L945-A958 VanDerWaalsContact CD1-CB 3.5Å; L945-A958 HydrophobicContact CG-CB 4.27Å; L945-M961 HydrophobicContact CD2-CB 4.11Å; L945-M961 HydrophobicContact CD2-CG 3.92Å; L945-L962 HydrophobicContact CD2-CD2 3.85Å; L945-L962 HydrophobicContact CD2-CG 3.89Å; L945-L962 HydrophobicContact CG-CD2 4.28Å; L945-L962 HydrophobicContact CG-CG 4.28Å |
| 946 | Y | 84.4 | Confident | 81.2 | Confident | 122 Ų | 122 | 87.1 Ų | 87.1 | 48% | 0.478 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -64.6 | -35.1 | 178.3 | -173.4 | -92.9 | 0 | 0 | 0 | 112.6 | L942 Q943 Q944 Y948 G949 R1124 | L942-Y946 WeakPolarHBondContact O-CB 3.44Å; L942-Y946 PolarHBondContact O-N 3.1Å; Q943-Y946 PolarHBondContact O-N 3.44Å; Q944-Y946 VanDerWaalsContact C-N 3.3Å; Q944-Y946 PolarHBondContact O-N 3.04Å; Y946-Y948 VanDerWaalsContact C-N 3.28Å; Y946-Y948 PolarHBondContact O-N 2.97Å; Y946-G949 PolarHBondContact O-N 3.16Å; Y946-R1124 PolarHBondContact OH-NH2 3.03Å; Y946-R1124 VanDerWaalsContact OH-NH2 3.1Å |
| 947 | K | 84.9 | Confident | 81.6 | Confident | 160 Ų | 160 | 90.8 Ų | 90.8 | 70% | 0.696 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -61.8 | -34.7 | 170.5 | -74.7 | 176.1 | 178.1 | -175.8 | 0 | 112.3 | Q943 Q944 L945 G949 | Q943-K947 WeakPolarHBondContact O-CG 3.49Å; Q943-K947 PolarHBondContact O-N 2.87Å; Q944-K947 WeakPolarHBondContact O-CB 3.43Å; Q944-K947 PolarHBondContact O-N 3.49Å; L945-K947 VanDerWaalsContact C-N 3.34Å; L945-K947 PolarHBondContact O-N 3.04Å; K947-G949 VanDerWaalsContact C-N 3.26Å; K947-G949 PolarHBondContact O-N 3.3Å |
| 948 | Y | 79.6 | Confident | 81.7 | Confident | 121 Ų | 121 | 87.6 Ų | 87.6 | 48% | 0.475 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | 10.6 | 172.4 | -63.2 | -64.7 | 0 | 0 | 0 | 113.6 | Q944 L945 Y946 I950 L962 I965 | Q944-Y948 WeakPolarHBondContact O-CD2 3.28Å; Q944-Y948 PolarHBondContact O-N 3.38Å; Q944-Y948 VanDerWaalsContact O-N 3.16Å; L945-Y948 CarbonylContact O-C 3.59Å; L945-Y948 WeakPolarHBondContact O-CA 3.4Å; L945-Y948 PolarHBondContact O-N 2.95Å; L945-Y948 VanDerWaalsContact O-N 3.07Å; Y946-Y948 VanDerWaalsContact C-N 3.28Å; Y946-Y948 PolarHBondContact O-N 2.97Å; Y948-I950 PolarHBondContact O-N 3.5Å; Y948-L962 HydrophobicContact CD2-CD2 3.71Å; Y948-L962 HydrophobicContact CE2-CD2 3.8Å; Y948-I965 HydrophobicContact CD1-CG2 3.94Å; Y948-I965 HydrophobicContact CD2-CD1 4.12Å; Y948-I965 HydrophobicContact CD2-CG2 4.3Å; Y948-I965 HydrophobicContact CE1-CG2 3.77Å; Y948-I965 HydrophobicContact CE2-CG2 4.15Å; Y948-I965 HydrophobicContact CG-CD1 4.18Å; Y948-I965 HydrophobicContact CG-CG2 4.21Å |
| 949 | G | 82.4 | Confident | 82 | Confident | 70 Ų | 70 | 84.5 Ų | 84.5 | 72% | 0.722 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.1 | 4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | L945 Y946 K947 | L945-G949 PolarHBondContact O-N 3.03Å; Y946-G949 PolarHBondContact O-N 3.16Å; K947-G949 VanDerWaalsContact C-N 3.26Å; K947-G949 PolarHBondContact O-N 3.3Å |
| 950 | I | 83.5 | Confident | 82.4 | Confident | 47 Ų | 47 | 87.5 Ų | 87.5 | 24% | 0.241 | 42% | 0.416 | C | S | . | . | P | Polyproline II helix | trans | -86.4 | 133 | -172.4 | -58.9 | -177.8 | 0 | 0 | 0 | 111.1 | L945 Y948 L953 M961 I965 | L945-I950 CarbonylContact C-O 3.59Å; L945-I950 HydrophobicContact CB-CB 4.3Å; L945-I950 HydrophobicContact CD2-CB 4.13Å; L945-I950 HydrophobicContact CD2-CD1 4.36Å; L945-I950 HydrophobicContact CD2-CG2 4.08Å; L945-I950 PolarHBondContact O-N 3.06Å; Y948-I950 PolarHBondContact O-N 3.5Å; I950-L953 HydrophobicContact CG2-CD1 3.82Å; I950-M961 HydrophobicContact CD1-CG 3.71Å; I950-M961 HydrophobicContact CD1-SD 4.09Å; I950-I965 HydrophobicContact CD1-CD1 3.45Å; I950-I965 VanDerWaalsContact CD1-CD1 3.45Å; I950-I965 HydrophobicContact CD1-CG1 4.48Å |
| 951 | K | 87.1 | Confident | 82.5 | Confident | 179 Ų | 179 | 87.3 Ų | 87.3 | 78% | 0.778 | 42% | 0.416 | S | S | * | . | P | Polyproline II helix | trans | -55.5 | 138.1 | 176.4 | -167.7 | 172.9 | -173.9 | 167.7 | 0 | 110.9 | L953 | K951-L953 PolarHBondContact O-N 3.24Å; K951-L953 VanDerWaalsContact O-N 3.08Å |
| 952 | P | 77.9 | Confident | 82.5 | Confident | 95 Ų | 95 | 87.3 Ų | 87.3 | 62% | 0.617 | 42% | 0.416 | S | S | * | . | P | Polyproline II helix | trans | -54.7 | 116.2 | -178.2 | 19.2 | -33.9 | 0 | 0 | 0 | 112.9 | L942 | L942-P952 HydrophobicContact CD1-CB 4.38Å; L942-P952 HydrophobicContact CD2-CB 3.63Å; L942-P952 HydrophobicContact CG-CB 4.48Å |
| 953 | L | 82.9 | Confident | 82.7 | Confident | 50 Ų | 50 | 88.2 Ų | 88.2 | 26% | 0.262 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -100.5 | 153.1 | 178.7 | -73.5 | 151.7 | 0 | 0 | 0 | 110.3 | L942 L945 I950 K951 R955 Q957 A958 M961 | L942-L953 WeakPolarHBondContact CD2-O 3.4Å; L945-L953 HydrophobicContact CD1-CB 3.89Å; L945-L953 HydrophobicContact CD1-CD1 4.04Å; L945-L953 HydrophobicContact CD1-CG 4.35Å; I950-L953 HydrophobicContact CG2-CD1 3.82Å; K951-L953 PolarHBondContact O-N 3.24Å; K951-L953 VanDerWaalsContact O-N 3.08Å; L953-R955 PolarHBondContact O-N 3.21Å; L953-Q957 HydrophobicContact CB-CB 4.17Å; L953-Q957 HydrophobicContact CD2-CB 4.27Å; L953-A958 HydrophobicContact CB-CB 4.06Å; L953-M961 HydrophobicContact CD1-CB 4.14Å; L953-M961 HydrophobicContact CD1-CE 4.48Å; L953-M961 HydrophobicContact CD1-CG 4.15Å |
| 954 | K | 82.3 | Confident | 82.7 | Confident | 165 Ų | 165 | 88.2 Ų | 88.2 | 72% | 0.717 | 42% | 0.417 | S | S | * | . | P | Polyproline II helix | trans | -59.3 | 136.8 | 174.4 | -64.2 | -179.3 | 178.7 | 179.4 | 0 | 109.9 | K956 Q957 A958 | K954-K956 VanDerWaalsContact C-N 3.29Å; K954-K956 PolarHBondContact O-N 3.15Å; K954-Q957 WeakPolarHBondContact O-CA 3.31Å; K954-Q957 WeakPolarHBondContact O-CB 3.44Å; K954-Q957 PolarHBondContact O-N 2.9Å; K954-A958 PolarHBondContact O-N 2.79Å |
| 955 | R | 79.3 | Confident | 82.8 | Confident | 79 Ų | 79 | 87.6 Ų | 87.6 | 30% | 0.298 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -30.4 | -53 | -174.5 | -167.9 | 179.6 | 175.3 | 87.4 | 4.7 | 116.2 | A934 L936 E938 I941 L953 Q957 A958 V959 | A934-R955 PolarHBondContact O-NH2 3.16Å; L936-R955 PolarHBondContact O-NH1 2.91Å; L936-R955 PolarHBondContact O-NH2 3.4Å; E938-R955 HydrophobicContact CG-CB 4.41Å; E938-R955 WeakPolarHBondContact OE1-CB 3.41Å; E938-R955 PolarHBondContact OE1-N 3.04Å; I941-R955 HydrophobicContact CD1-CG 4.1Å; L953-R955 PolarHBondContact O-N 3.21Å; R955-Q957 VanDerWaalsContact C-N 3.35Å; R955-Q957 PolarHBondContact O-N 2.99Å; R955-A958 PolarHBondContact O-N 3.47Å; R955-V959 HydrophobicContact CG-CG2 4.47Å; R955-V959 VanDerWaalsContact O-CG2 3.32Å; R955-V959 WeakPolarHBondContact O-CG2 3.3Å; R955-V959 PolarHBondContact O-N 3.02Å |
| 956 | K | 81 | Confident | 82.6 | Confident | 185 Ų | 185 | 89.3 Ų | 89.3 | 80% | 0.804 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -64.9 | -30.9 | -178.2 | -66.6 | -173 | 178.4 | -177 | 0 | 114.8 | K954 | K954-K956 VanDerWaalsContact C-N 3.29Å; K954-K956 PolarHBondContact O-N 3.15Å |
| 957 | Q | 82.5 | Confident | 82.4 | Confident | 111 Ų | 111 | 87.1 Ų | 87.1 | 52% | 0.519 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -82.3 | -38.3 | 173.1 | -69.5 | 170.7 | -49.9 | 0 | 0 | 110.6 | L953 K954 R955 K960 M961 | L953-Q957 HydrophobicContact CB-CB 4.17Å; L953-Q957 HydrophobicContact CD2-CB 4.27Å; K954-Q957 WeakPolarHBondContact O-CA 3.31Å; K954-Q957 WeakPolarHBondContact O-CB 3.44Å; K954-Q957 PolarHBondContact O-N 2.9Å; R955-Q957 VanDerWaalsContact C-N 3.35Å; R955-Q957 PolarHBondContact O-N 2.99Å; Q957-K960 PolarHBondContact O-N 3.45Å; Q957-M961 WeakPolarHBondContact O-CB 3.49Å; Q957-M961 PolarHBondContact O-N 3.36Å |
| 958 | A | 84.8 | Confident | 82 | Confident | 0 Ų | 0 | 85.3 Ų | 85.3 | 0% | 0 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -60.8 | -46.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I941 L945 L953 K954 R955 K960 M961 L962 | I941-A958 HydrophobicContact CG2-CB 3.37Å; L945-A958 HydrophobicContact CD1-CB 3.5Å; L945-A958 VanDerWaalsContact CD1-CB 3.5Å; L945-A958 HydrophobicContact CG-CB 4.27Å; L953-A958 HydrophobicContact CB-CB 4.06Å; K954-A958 PolarHBondContact O-N 2.79Å; R955-A958 PolarHBondContact O-N 3.47Å; A958-K960 PolarHBondContact O-N 2.98Å; A958-M961 PolarHBondContact O-N 3.27Å; A958-M961 VanDerWaalsContact O-N 3.16Å; A958-L962 WeakPolarHBondContact O-CG 3.36Å; A958-L962 PolarHBondContact O-N 3.23Å |
| 959 | V | 83.9 | Confident | 81.6 | Confident | 26 Ų | 26 | 83.2 Ų | 83.2 | 16% | 0.158 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -57.9 | -46.8 | 174.6 | 168.6 | 0 | 0 | 0 | 0 | 111.5 | F933 I941 R955 M961 L962 E963 | F933-V959 HydrophobicContact CB-CB 4.5Å; F933-V959 HydrophobicContact CB-CG1 4.05Å; F933-V959 HydrophobicContact CB-CG2 4.28Å; F933-V959 VanDerWaalsContact O-CG2 3.26Å; F933-V959 WeakPolarHBondContact O-CG2 3.1Å; I941-V959 HydrophobicContact CD1-CG2 3.89Å; R955-V959 HydrophobicContact CG-CG2 4.47Å; R955-V959 VanDerWaalsContact O-CG2 3.32Å; R955-V959 WeakPolarHBondContact O-CG2 3.3Å; R955-V959 PolarHBondContact O-N 3.02Å; V959-M961 VanDerWaalsContact C-N 3.31Å; V959-M961 PolarHBondContact O-N 2.89Å; V959-L962 PolarHBondContact O-N 3.08Å; V959-E963 VanDerWaalsContact O-CB 3.25Å; V959-E963 WeakPolarHBondContact O-CB 3.4Å; V959-E963 PolarHBondContact O-N 2.99Å |
| 960 | K | 85.1 | Confident | 81 | Confident | 151 Ų | 151 | 82.7 Ų | 82.7 | 66% | 0.657 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -63.7 | -35.2 | 176.3 | -76.8 | -170 | 170.8 | -159.7 | 0 | 113.2 | Q957 A958 F964 | Q957-K960 PolarHBondContact O-N 3.45Å; A958-K960 PolarHBondContact O-N 2.98Å; K960-F964 VanDerWaalsContact O-CB 3.25Å; K960-F964 WeakPolarHBondContact O-CB 3.32Å; K960-F964 PolarHBondContact O-N 3.43Å |
| 961 | M | 83.1 | Confident | 80.2 | Confident | 70 Ų | 70 | 85 Ų | 85 | 35% | 0.345 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -72.1 | -43.6 | 178.6 | -174.5 | 59.9 | 73.8 | 0 | 0 | 111.2 | L945 I950 L953 Q957 A958 V959 F964 I965 | L945-M961 HydrophobicContact CD2-CB 4.11Å; L945-M961 HydrophobicContact CD2-CG 3.92Å; I950-M961 HydrophobicContact CD1-CG 3.71Å; I950-M961 HydrophobicContact CD1-SD 4.09Å; L953-M961 HydrophobicContact CD1-CB 4.14Å; L953-M961 HydrophobicContact CD1-CE 4.48Å; L953-M961 HydrophobicContact CD1-CG 4.15Å; Q957-M961 WeakPolarHBondContact O-CB 3.49Å; Q957-M961 PolarHBondContact O-N 3.36Å; A958-M961 PolarHBondContact O-N 3.27Å; A958-M961 VanDerWaalsContact O-N 3.16Å; V959-M961 VanDerWaalsContact C-N 3.31Å; V959-M961 PolarHBondContact O-N 2.89Å; M961-F964 PolarHBondContact O-N 3.07Å; M961-F964 HydrophobicContact SD-CD1 4.47Å; M961-I965 HydrophobicContact CG-CD1 4.01Å; M961-I965 VanDerWaalsContact O-CD1 3.32Å; M961-I965 WeakPolarHBondContact O-CD1 3.3Å; M961-I965 WeakPolarHBondContact O-CG1 3.21Å; M961-I965 PolarHBondContact O-N 3.27Å; M961-I965 HydrophobicContact SD-CD1 4.46Å |
| 962 | L | 81.8 | Confident | 78.8 | Confident | 1 Ų | 1 | 83 Ų | 83 | 1% | 0.005 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -64.6 | -40.4 | 173.6 | -68.5 | 172.2 | 0 | 0 | 0 | 112.2 | F933 I941 Q944 L945 Y948 A958 V959 I965 Y966 | F933-L962 HydrophobicContact CD1-CB 3.87Å; F933-L962 HydrophobicContact CD1-CD1 3.85Å; F933-L962 HydrophobicContact CD1-CG 4.47Å; F933-L962 HydrophobicContact CD2-CB 4.29Å; F933-L962 HydrophobicContact CE1-CB 3.9Å; F933-L962 HydrophobicContact CE1-CD1 4.24Å; F933-L962 HydrophobicContact CE2-CB 4.32Å; F933-L962 HydrophobicContact CG-CB 4.08Å; F933-L962 HydrophobicContact CZ-CB 4.13Å; I941-L962 HydrophobicContact CB-CD1 4.43Å; I941-L962 HydrophobicContact CG2-CD1 3.93Å; Q944-L962 HydrophobicContact CB-CD1 3.97Å; Q944-L962 HydrophobicContact CB-CD2 3.82Å; L945-L962 HydrophobicContact CD2-CD2 3.85Å; L945-L962 HydrophobicContact CD2-CG 3.89Å; L945-L962 HydrophobicContact CG-CD2 4.28Å; L945-L962 HydrophobicContact CG-CG 4.28Å; Y948-L962 HydrophobicContact CD2-CD2 3.71Å; Y948-L962 HydrophobicContact CE2-CD2 3.8Å; A958-L962 WeakPolarHBondContact O-CG 3.36Å; A958-L962 PolarHBondContact O-N 3.23Å; V959-L962 PolarHBondContact O-N 3.08Å; L962-I965 PolarHBondContact O-N 3.33Å; L962-Y966 VanDerWaalsContact O-CB 3.29Å; L962-Y966 WeakPolarHBondContact O-CB 3.41Å; L962-Y966 PolarHBondContact O-N 2.84Å |
| 963 | E | 82.4 | Confident | 77.1 | Confident | 72 Ų | 72 | 87 Ų | 87 | 34% | 0.336 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -63.8 | -40.1 | 173 | 177.9 | 168.6 | -135.7 | 0 | 0 | 112.1 | K930 V959 Y966 N967 | K930-E963 IonicContact NZ-OE1 3.91Å; K930-E963 PolarHBondContact NZ-OE1 3Å; V959-E963 VanDerWaalsContact O-CB 3.25Å; V959-E963 WeakPolarHBondContact O-CB 3.4Å; V959-E963 PolarHBondContact O-N 2.99Å; E963-Y966 PolarHBondContact O-N 2.92Å; E963-N967 WeakPolarHBondContact O-CB 3.44Å; E963-N967 PolarHBondContact O-N 2.91Å; E963-N967 PolarHBondContact O-ND2 2.83Å; E963-N967 PolarHBondContact O-OD1 3.42Å |
| 964 | F | 82.4 | Confident | 75.2 | Confident | 114 Ų | 114 | 93.7 Ų | 93.7 | 50% | 0.5 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.4 | -48.3 | 173.6 | 178.1 | -98.7 | 0 | 0 | 0 | 111.7 | K960 M961 Y966 N967 Q968 | K960-F964 VanDerWaalsContact O-CB 3.25Å; K960-F964 WeakPolarHBondContact O-CB 3.32Å; K960-F964 PolarHBondContact O-N 3.43Å; M961-F964 PolarHBondContact O-N 3.07Å; M961-F964 HydrophobicContact SD-CD1 4.47Å; F964-Y966 VanDerWaalsContact C-N 3.32Å; F964-Y966 PolarHBondContact O-N 3.05Å; F964-N967 PolarHBondContact O-N 3.49Å; F964-Q968 HydrophobicContact CD1-CG 4.21Å; F964-Q968 HydrophobicContact CD2-CG 4.43Å; F964-Q968 HydrophobicContact CE1-CG 3.89Å; F964-Q968 HydrophobicContact CE2-CG 4.13Å; F964-Q968 HydrophobicContact CG-CG 4.47Å; F964-Q968 HydrophobicContact CZ-CG 3.85Å; F964-Q968 VanDerWaalsContact O-CG 3.27Å; F964-Q968 WeakPolarHBondContact O-CG 3.33Å; F964-Q968 PolarHBondContact O-N 2.95Å |
| 965 | I | 82.8 | Confident | 72.9 | Confident | 22 Ų | 22 | 91.6 Ų | 91.6 | 11% | 0.113 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -60.2 | -43.1 | 176.4 | -66.7 | 157.2 | 0 | 0 | 0 | 110.8 | Y948 I950 M961 L962 N967 Q968 T969 | Y948-I965 HydrophobicContact CD1-CG2 3.94Å; Y948-I965 HydrophobicContact CD2-CD1 4.12Å; Y948-I965 HydrophobicContact CD2-CG2 4.3Å; Y948-I965 HydrophobicContact CE1-CG2 3.77Å; Y948-I965 HydrophobicContact CE2-CG2 4.15Å; Y948-I965 HydrophobicContact CG-CD1 4.18Å; Y948-I965 HydrophobicContact CG-CG2 4.21Å; I950-I965 HydrophobicContact CD1-CD1 3.45Å; I950-I965 VanDerWaalsContact CD1-CD1 3.45Å; I950-I965 HydrophobicContact CD1-CG1 4.48Å; M961-I965 HydrophobicContact CG-CD1 4.01Å; M961-I965 VanDerWaalsContact O-CD1 3.32Å; M961-I965 WeakPolarHBondContact O-CD1 3.3Å; M961-I965 WeakPolarHBondContact O-CG1 3.21Å; M961-I965 PolarHBondContact O-N 3.27Å; M961-I965 HydrophobicContact SD-CD1 4.46Å; L962-I965 PolarHBondContact O-N 3.33Å; I965-N967 PolarHBondContact O-N 2.94Å; I965-Q968 PolarHBondContact O-N 2.97Å; I965-T969 HydrophobicContact CG2-CG2 4.07Å; I965-T969 WeakPolarHBondContact O-CB 3.45Å; I965-T969 WeakPolarHBondContact O-CG2 3.49Å; I965-T969 PolarHBondContact O-N 3.35Å; I965-T969 PolarHBondContact O-OG1 3.46Å |
| 966 | Y | 81.3 | Confident | 70.8 | Confident | 35 Ų | 35 | 93.6 Ų | 93.6 | 14% | 0.137 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -57.7 | -50 | 175.6 | -175.2 | -86.5 | 0 | 0 | 0 | 110.9 | K930 F933 L962 E963 F964 Q968 T969 H970 | K930-Y966 WeakPolarHBondContact CA-OH 3.46Å; K930-Y966 HydrophobicContact CB-CE1 4Å; K930-Y966 HydrophobicContact CD-CD1 4.38Å; K930-Y966 HydrophobicContact CD-CE1 4.24Å; K930-Y966 HydrophobicContact CG-CD1 4.19Å; K930-Y966 HydrophobicContact CG-CE1 3.88Å; F933-Y966 HydrophobicContact CE2-CD2 4.47Å; F933-Y966 HydrophobicContact CE2-CG 4.4Å; F933-Y966 HydrophobicContact CZ-CD2 4.38Å; L962-Y966 VanDerWaalsContact O-CB 3.29Å; L962-Y966 WeakPolarHBondContact O-CB 3.41Å; L962-Y966 PolarHBondContact O-N 2.84Å; E963-Y966 PolarHBondContact O-N 2.92Å; F964-Y966 VanDerWaalsContact C-N 3.32Å; F964-Y966 PolarHBondContact O-N 3.05Å; Y966-Q968 VanDerWaalsContact C-N 3.3Å; Y966-Q968 PolarHBondContact O-N 3.22Å; Y966-T969 PolarHBondContact O-N 3.32Å; Y966-T969 PolarHBondContact O-OG1 2.95Å; Y966-H970 WeakPolarHBondContact O-CB 3.48Å; Y966-H970 PolarHBondContact O-N 3.31Å; Y966-H970 PolarHBondContact O-ND1 3Å |
| 967 | N | 79.3 | Confident | 68.7 | Low | 76 Ų | 76 | 88.1 Ų | 88.1 | 41% | 0.406 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66 | -27.8 | 179.9 | -62.3 | -18.7 | 0 | 0 | 0 | 113.6 | E963 F964 I965 | E963-N967 WeakPolarHBondContact O-CB 3.44Å; E963-N967 PolarHBondContact O-N 2.91Å; E963-N967 PolarHBondContact O-ND2 2.83Å; E963-N967 PolarHBondContact O-OD1 3.42Å; F964-N967 PolarHBondContact O-N 3.49Å; I965-N967 PolarHBondContact O-N 2.94Å |
| 968 | Q | 76.3 | Confident | 66.7 | Low | 122 Ų | 122 | 89.7 Ų | 89.7 | 57% | 0.57 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -83.7 | -36.4 | 177 | -67.2 | -69.3 | -3.1 | 0 | 0 | 112.8 | F964 I965 Y966 | F964-Q968 HydrophobicContact CD1-CG 4.21Å; F964-Q968 HydrophobicContact CD2-CG 4.43Å; F964-Q968 HydrophobicContact CE1-CG 3.89Å; F964-Q968 HydrophobicContact CE2-CG 4.13Å; F964-Q968 HydrophobicContact CG-CG 4.47Å; F964-Q968 HydrophobicContact CZ-CG 3.85Å; F964-Q968 VanDerWaalsContact O-CG 3.27Å; F964-Q968 WeakPolarHBondContact O-CG 3.33Å; F964-Q968 PolarHBondContact O-N 2.95Å; I965-Q968 PolarHBondContact O-N 2.97Å; Y966-Q968 VanDerWaalsContact C-N 3.3Å; Y966-Q968 PolarHBondContact O-N 3.22Å |
| 969 | T | 72.6 | Confident | 64.4 | Low | 77 Ų | 77 | 98.8 Ų | 98.8 | 47% | 0.472 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -80.1 | -19.8 | 177.5 | 52.4 | 0 | 0 | 0 | 0 | 113 | I965 Y966 P971 | I965-T969 HydrophobicContact CG2-CG2 4.07Å; I965-T969 WeakPolarHBondContact O-CB 3.45Å; I965-T969 WeakPolarHBondContact O-CG2 3.49Å; I965-T969 PolarHBondContact O-N 3.35Å; I965-T969 PolarHBondContact O-OG1 3.46Å; Y966-T969 PolarHBondContact O-N 3.32Å; Y966-T969 PolarHBondContact O-OG1 2.95Å; T969-P971 VanDerWaalsContact C-CD 3.43Å; T969-P971 WeakPolarHBondContact O-CD 3.3Å |
| 970 | H | 69.1 | Low | 62 | Low | 59 Ų | 59 | 104.3 Ų | 104.3 | 27% | 0.273 | 56% | 0.557 | S | S | . | * | S | Bend | trans | -123.8 | 69.2 | 176 | -60 | 71.4 | 0 | 0 | 0 | 109.3 | Y966 I972 | Y966-H970 WeakPolarHBondContact O-CB 3.48Å; Y966-H970 PolarHBondContact O-N 3.31Å; Y966-H970 PolarHBondContact O-ND1 3Å; H970-I972 PolarHBondContact O-N 3.29Å |
| 971 | P | 67 | Low | 59.3 | Low | 96 Ų | 96 | 104.4 Ų | 104.4 | 62% | 0.623 | 56% | 0.564 | S | S | * | * | trans | -63.1 | 111.7 | 179.6 | 26.5 | -33.9 | 0 | 0 | 0 | 109.9 | T969 M973 | T969-P971 VanDerWaalsContact C-CD 3.43Å; T969-P971 WeakPolarHBondContact O-CD 3.3Å; P971-M973 PolarHBondContact O-N 3.41Å | ||
| 972 | I | 56.6 | Low | 56.9 | Low | 138 Ų | 138 | 107 Ų | 107 | 71% | 0.708 | 59% | 0.586 | S | S | * | * | trans | -73.7 | 96.7 | -177.4 | -56.5 | 173.6 | 0 | 0 | 0 | 108.9 | H970 K974 | H970-I972 PolarHBondContact O-N 3.29Å; I972-K974 PolarHBondContact O-N 3.37Å | ||
| 973 | M | 43.3 | Very low | 54.9 | Low | 177 Ų | 177 | 111.7 Ų | 111.7 | 87% | 0.872 | 63% | 0.625 | S | S | * | * | trans | -61.3 | 102.4 | 165.4 | -70.3 | -175.8 | 74.4 | 0 | 0 | 109 | P971 T975 | P971-M973 PolarHBondContact O-N 3.41Å; M973-T975 PolarHBondContact O-N 3.17Å | ||
| 974 | K | 42.7 | Very low | 52.2 | Low | 192 Ų | 192 | 119.7 Ų | 119.7 | 84% | 0.835 | 65% | 0.652 | S | S | * | * | trans | -74.1 | 106.1 | 168.6 | -67.2 | -178.2 | -179.9 | 179.6 | 0 | 108.1 | I972 A976 | I972-K974 PolarHBondContact O-N 3.37Å; K974-A976 PolarHBondContact O-N 3.47Å | ||
| 975 | T | 32.8 | Very low | 49.5 | Very low | 120 Ų | 120 | 118.5 Ų | 118.5 | 74% | 0.736 | 66% | 0.658 | S | S | * | * | trans | -50.9 | 137.4 | 163.6 | 47.2 | 0 | 0 | 0 | 0 | 109.6 | M973 A977 | M973-T975 PolarHBondContact O-N 3.17Å; T975-A977 PolarHBondContact O-N 2.86Å | ||
| 976 | A | 35.7 | Very low | 47.3 | Very low | 122 Ų | 122 | 125.8 Ų | 125.8 | 100% | 1.008 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -73.8 | 29.8 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115 | K974 | K974-A976 PolarHBondContact O-N 3.47Š|
| 977 | A | 37.4 | Very low | 45 | Very low | 69 Ų | 69 | 130.1 Ų | 130.1 | 57% | 0.57 | 72% | 0.724 | S | S | * | * | trans | -116.4 | 148.4 | 171 | 0 | 0 | 0 | 0 | 0 | 109.4 | T975 | T975-A977 PolarHBondContact O-N 2.86Š| ||
| 978 | V | 39.7 | Very low | 42.5 | Very low | 144 Ų | 144 | 133.3 Ų | 133.3 | 87% | 0.873 | 74% | 0.739 | S | S | * | * | trans | 71.2 | 69.9 | -173.7 | -162 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 979 | Q | 38 | Very low | 40.2 | Very low | 191 Ų | 191 | 133 Ų | 133 | 89% | 0.893 | 75% | 0.745 | S | S | * | * | trans | -128.1 | 109.5 | 134.4 | -78.7 | -168.6 | 89.5 | 0 | 0 | 108.5 | ||||
| 980 | D | 31.7 | Very low | 37.9 | Very low | 143 Ų | 143 | 139.5 Ų | 139.5 | 77% | 0.765 | 76% | 0.761 | S | S | * | * | trans | -166.8 | 117 | 144.7 | -110.6 | -25.9 | 0 | 0 | 0 | 113.2 | ||||
| 981 | L | 29.7 | Very low | 35.9 | Very low | 152 Ų | 152 | 141.5 Ų | 141.5 | 80% | 0.796 | 78% | 0.782 | S | S | * | * | trans | 64.6 | 170.4 | 155.5 | -49.6 | 179 | 0 | 0 | 0 | 118.3 | ||||
| 982 | P | 33.3 | Very low | 34.1 | Very low | 125 Ų | 125 | 146.7 Ų | 146.7 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | -131.8 | 178.7 | -69.9 | 39.7 | -25 | 0 | 0 | 0 | 114.2 | |||||
| 983 | A | 38.1 | Very low | 32.7 | Very low | 100 Ų | 100 | 145.9 Ų | 145.9 | 83% | 0.826 | 80% | 0.802 | S | S | * | * | trans | -94 | 139.9 | -167.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 984 | R | 25.6 | Very low | 31.8 | Very low | 240 Ų | 240 | 143.7 Ų | 143.7 | 91% | 0.906 | 80% | 0.798 | S | S | * | * | trans | -171.2 | 159.4 | 160.8 | -105.2 | -164.8 | 157.6 | 150.7 | -3 | 109.3 | ||||
| 985 | S | 27.2 | Very low | 31.7 | Very low | 88 Ų | 88 | 139.7 Ų | 139.7 | 62% | 0.615 | 79% | 0.792 | S | S | * | * | cis | -174.5 | 145.4 | -31.5 | 46.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 986 | E | 35.5 | Very low | 31.2 | Very low | 176 Ų | 176 | 139.4 Ų | 139.4 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 144.9 | 173.3 | -65.7 | -173.8 | 163.1 | 0 | 0 | 113.3 | ||
| 987 | P | 33 | Very low | 30.7 | Very low | 125 Ų | 125 | 139.9 Ų | 139.9 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -101.9 | 135.4 | 153.2 | 34.2 | -27.4 | 0 | 0 | 0 | 112 | ||
| 988 | I | 27.8 | Very low | 30.1 | Very low | 144 Ų | 144 | 144 Ų | 144 | 74% | 0.738 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 166 | -178.1 | -56.1 | 155.2 | 0 | 0 | 0 | 109.3 | ||
| 989 | V | 27 | Very low | 29.4 | Very low | 115 Ų | 115 | 142.2 Ų | 142.2 | 70% | 0.697 | 77% | 0.765 | S | S | * | * | trans | 156.3 | 104.6 | 131.4 | 164.4 | 0 | 0 | 0 | 0 | 116 | ||||
| 990 | R | 24.4 | Very low | 28.9 | Very low | 213 Ų | 213 | 142.6 Ų | 142.6 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | trans | 67.9 | 106.6 | 132.2 | -66.1 | -173.6 | 173.4 | 139.2 | -3.1 | 125.2 | ||||
| 991 | S | 27.5 | Very low | 29.1 | Very low | 102 Ų | 102 | 140 Ų | 140 | 71% | 0.713 | 75% | 0.75 | S | S | * | * | 89.6 | 144.5 | 99.5 | -58.6 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 992 | K | 28.8 | Very low | 28.8 | Very low | 204 Ų | 204 | 141.3 Ų | 141.3 | 89% | 0.887 | 75% | 0.751 | S | S | * | * | trans | 76.5 | 101.7 | 159.9 | -51.5 | -168.3 | -172.7 | -179.7 | 0 | 118.5 | ||||
| 993 | S | 26.7 | Very low | 28.6 | Very low | 122 Ų | 122 | 140.7 Ų | 140.7 | 85% | 0.853 | 75% | 0.75 | S | S | * | * | -177.2 | 149.4 | 99.8 | 57.5 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 994 | T | 24.8 | Very low | 28 | Very low | 131 Ų | 131 | 144.6 Ų | 144.6 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | trans | -107.8 | 171.3 | 159.8 | 18 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 995 | P | 40.3 | Very low | 28.1 | Very low | 107 Ų | 107 | 139.5 Ų | 139.5 | 70% | 0.695 | 75% | 0.746 | S | S | * | * | cis | -136.9 | -151.2 | -15.9 | 31.2 | -6.9 | 0 | 0 | 0 | 111.9 | ||||
| 996 | V | 23.1 | Very low | 27.9 | Very low | 114 Ų | 114 | 139 Ų | 139 | 69% | 0.691 | 75% | 0.748 | S | S | * | * | trans | 89.5 | 102.9 | 138.1 | 150.8 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 997 | I | 24.8 | Very low | 27.5 | Very low | 133 Ų | 133 | 140.1 Ų | 140.1 | 68% | 0.682 | 75% | 0.75 | S | S | * | * | 76.1 | 126.6 | 120.6 | -69.5 | 179.1 | 0 | 0 | 0 | 121 | |||||
| 998 | M | 24.8 | Very low | 27.1 | Very low | 155 Ų | 155 | 139.3 Ų | 139.3 | 76% | 0.764 | 75% | 0.747 | S | S | * | * | trans | 75.1 | 155.2 | 153.1 | -74 | 173.5 | 147 | 0 | 0 | 119.4 | ||||
| 999 | E | 24.4 | Very low | 27.1 | Very low | 106 Ų | 106 | 139 Ų | 139 | 50% | 0.495 | 75% | 0.753 | S | S | . | * | cis | -150.5 | 146.4 | 1.8 | -135.8 | -174.8 | -153.2 | 0 | 0 | 116.1 | ||||
| 1000 | R | 27.6 | Very low | 27 | Very low | 199 Ų | 199 | 138.9 Ų | 138.9 | 75% | 0.751 | 76% | 0.757 | S | S | * | * | trans | 59.6 | -174.1 | 142.9 | -87 | 178.1 | -158 | 146.7 | -2.2 | 117.2 | ||||
| 1001 | P | 36.5 | Very low | 27.2 | Very low | 89 Ų | 89 | 138.4 Ų | 138.4 | 58% | 0.578 | 76% | 0.76 | S | S | * | * | -136.5 | -162.9 | -83.3 | 42.5 | -22.3 | 0 | 0 | 0 | 113.4 | |||||
| 1002 | H | 23.5 | Very low | 27 | Very low | 179 Ų | 179 | 139.5 Ų | 139.5 | 83% | 0.829 | 76% | 0.763 | S | S | * | * | trans | 69.4 | 155.5 | 164.3 | -64 | -9.5 | 0 | 0 | 0 | 115.5 | ||||
| 1003 | S | 28.3 | Very low | 26.9 | Very low | 113 Ų | 113 | 138.3 Ų | 138.3 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | cis | -153.6 | 170.5 | -15.9 | 40.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1004 | Q | 27.5 | Very low | 27.3 | Very low | 182 Ų | 182 | 141.7 Ų | 141.7 | 85% | 0.85 | 76% | 0.764 | S | S | * | * | trans | -56.3 | 153.5 | 173.3 | -56.8 | 160.6 | -12.7 | 0 | 0 | 113.9 | ||||
| 1005 | V | 26.8 | Very low | 27.4 | Very low | 132 Ų | 132 | 140 Ų | 140 | 80% | 0.8 | 76% | 0.764 | S | S | * | * | trans | 171.1 | 108.7 | 130.3 | 151.7 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 1006 | A | 23.8 | Very low | 27 | Very low | 79 Ų | 79 | 142.4 Ų | 142.4 | 65% | 0.653 | 77% | 0.769 | S | S | * | * | 85.7 | 141.3 | 51.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 1007 | K | 26.8 | Very low | 27.3 | Very low | 199 Ų | 199 | 140.5 Ų | 140.5 | 87% | 0.865 | 77% | 0.772 | S | S | * | * | trans | 78.4 | 151.4 | -177.5 | -51.4 | 171 | -173.5 | 175.6 | 0 | 115.3 | ||||
| 1008 | S | 24.3 | Very low | 27.7 | Very low | 108 Ų | 108 | 140.3 Ų | 140.3 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | cis | -163.2 | 152.6 | -26.6 | 48.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1009 | T | 26.6 | Very low | 28.4 | Very low | 138 Ų | 138 | 140.6 Ų | 140.6 | 85% | 0.847 | 78% | 0.775 | S | S | * | * | trans | -53.1 | 135.4 | 174.1 | 49.8 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1010 | S | 25.7 | Very low | 29.2 | Very low | 112 Ų | 112 | 144 Ų | 144 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | trans | -162.7 | 94.2 | 144.7 | 58.7 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1011 | K | 28.5 | Very low | 29.9 | Very low | 203 Ų | 203 | 141.1 Ų | 141.1 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | trans | 34.6 | 104.3 | 141.7 | -60.3 | 179 | -179.8 | 178.8 | 0 | 120.8 | ||||
| 1012 | T | 23.6 | Very low | 30.9 | Very low | 125 Ų | 125 | 141 Ų | 141 | 77% | 0.767 | 78% | 0.781 | S | S | * | * | 1.5 | 136.1 | 126.1 | -47.1 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 1013 | L | 27.7 | Very low | 32.9 | Very low | 178 Ų | 178 | 137.9 Ų | 137.9 | 93% | 0.932 | 78% | 0.775 | S | S | * | * | trans | -121.4 | 167.3 | 141.9 | -79.6 | 176.6 | 0 | 0 | 0 | 110.2 | ||||
| 1014 | K | 34.2 | Very low | 35 | Very low | 193 Ų | 193 | 134.1 Ų | 134.1 | 84% | 0.839 | 75% | 0.745 | S | S | * | * | trans | -106.7 | 148.8 | -173.1 | -60.9 | 178.6 | 179.7 | 179.4 | 0 | 112.9 | ||||
| 1015 | A | 25.8 | Very low | 36.9 | Very low | 95 Ų | 95 | 130.1 Ų | 130.1 | 79% | 0.785 | 73% | 0.729 | S | S | * | * | trans | -136.5 | 116.4 | 137.2 | 0 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 1016 | I | 32.3 | Very low | 38.8 | Very low | 158 Ų | 158 | 127.9 Ų | 127.9 | 81% | 0.81 | 71% | 0.713 | S | S | * | * | 66 | 119.5 | 68.9 | -59.4 | 177.9 | 0 | 0 | 0 | 110.9 | |||||
| 1017 | G | 29.4 | Very low | 40.5 | Very low | 74 Ų | 74 | 125.8 Ų | 125.8 | 76% | 0.763 | 70% | 0.695 | S | S | * | * | trans | 164 | 51.4 | -166.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | K1019 | G1017-K1019 PolarHBondContact O-N 3.38Š| ||
| 1018 | T | 33.5 | Very low | 41.9 | Very low | 129 Ų | 129 | 120 Ų | 120 | 79% | 0.791 | 68% | 0.677 | S | S | * | * | trans | -68.2 | 125.1 | -177.6 | 40.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1019 | K | 40.7 | Very low | 43.4 | Very low | 161 Ų | 161 | 117.2 Ų | 117.2 | 70% | 0.7 | 67% | 0.666 | S | S | * | * | trans | -57.3 | 142.3 | 159.6 | -62.8 | -178.9 | 177.5 | -175.8 | 0 | 108 | G1017 D1021 | G1017-K1019 PolarHBondContact O-N 3.38Å; K1019-D1021 PolarHBondContact O-N 3.33Å | ||
| 1020 | K | 40.4 | Very low | 44.9 | Very low | 177 Ų | 177 | 117.1 Ų | 117.1 | 77% | 0.77 | 66% | 0.656 | S | S | * | * | trans | -74.2 | 110 | 163.4 | -64.4 | 179.7 | -178 | 177.6 | 0 | 106.5 | L1022 | K1020-L1022 PolarHBondContact O-N 2.93Š| ||
| 1021 | D | 41.8 | Very low | 46.4 | Very low | 140 Ų | 140 | 115 Ų | 115 | 75% | 0.749 | 63% | 0.633 | S | S | * | * | trans | -70.6 | 122.6 | 162.3 | -62.9 | -36.8 | 0 | 0 | 0 | 106.3 | K1019 T1023 | K1019-D1021 PolarHBondContact O-N 3.33Å; D1021-T1023 PolarHBondContact O-N 3.15Å | ||
| 1022 | L | 57.9 | Low | 48 | Very low | 85 Ų | 85 | 107.8 Ų | 107.8 | 45% | 0.445 | 60% | 0.604 | S | S | . | * | trans | -68.3 | 107 | 179.7 | -86.6 | 80.3 | 0 | 0 | 0 | 109.4 | K1020 F1024 | K1020-L1022 PolarHBondContact O-N 2.93Å; L1022-F1024 PolarHBondContact O-N 3.4Å | ||
| 1023 | T | 66 | Low | 49.6 | Very low | 114 Ų | 114 | 107 Ų | 107 | 70% | 0.699 | 60% | 0.595 | S | S | * | * | trans | -77.6 | 103.4 | 164.5 | 51 | 0 | 0 | 0 | 0 | 108.2 | D1021 N1025 | D1021-T1023 PolarHBondContact O-N 3.15Å; T1023-N1025 PolarHBondContact O-N 3.16Å | ||
| 1024 | F | 72.1 | Confident | 51 | Low | 34 Ų | 34 | 105.2 Ų | 105.2 | 15% | 0.149 | 58% | 0.576 | C | S | . | * | P | Polyproline II helix | trans | -66.4 | 131.6 | 168.7 | -55 | -74.9 | 0 | 0 | 0 | 109.6 | L1022 L1074 N1078 L1081 A1095 V1096 H1099 | L1022-F1024 PolarHBondContact O-N 3.4Å; F1024-L1074 HydrophobicContact CB-CD1 4.5Å; F1024-L1074 HydrophobicContact CD1-CD1 4.1Å; F1024-N1078 VanDerWaalsContact CA-OD1 3.31Å; F1024-N1078 WeakPolarHBondContact CA-OD1 3.35Å; F1024-L1081 HydrophobicContact CD1-CD1 4.41Å; F1024-L1081 HydrophobicContact CE1-CD1 3.72Å; F1024-A1095 HydrophobicContact CE2-CB 3.73Å; F1024-A1095 HydrophobicContact CZ-CB 4.01Å; F1024-V1096 HydrophobicContact CE1-CG2 4.12Å; F1024-V1096 HydrophobicContact CZ-CG2 3.77Å; F1024-H1099 HydrophobicContact CB-CB 4.42Å; F1024-H1099 WeakPolarHBondContact CB-ND1 3.26Å; F1024-H1099 HydrophobicContact CD2-CB 3.54Å; F1024-H1099 AromaticContact CD2-CG 3.76Å; F1024-H1099 HydrophobicContact CE2-CB 4.02Å; F1024-H1099 HydrophobicContact CG-CB 4.14Å; F1024-H1099 AromaticContact CG-CG 3.86Å |
| 1025 | N | 67.7 | Low | 51.7 | Low | 99 Ų | 99 | 100 Ų | 100 | 53% | 0.529 | 55% | 0.553 | S | S | . | * | P | Polyproline II helix | trans | -89.2 | 143.3 | 168.8 | -63.2 | -28.5 | 0 | 0 | 0 | 109.8 | T1023 N1078 | T1023-N1025 PolarHBondContact O-N 3.16Å; N1025-N1078 PolarHBondContact N-OD1 3.25Å; N1025-N1078 PolarHBondContact O-ND2 3.31Å; N1025-N1078 VanDerWaalsContact O-ND2 3.1Å |
| 1026 | D | 64.9 | Low | 53.1 | Low | 84 Ų | 84 | 99.2 Ų | 99.2 | 45% | 0.449 | 54% | 0.541 | S | S | . | . | P | Polyproline II helix | trans | -76.2 | 137 | 170.1 | -57.4 | -25.7 | 0 | 0 | 0 | 109 | T1028 H1099 M1103 | D1026-T1028 PolarHBondContact O-N 3.47Å; D1026-H1099 IonicContact OD1-CE1 2.72Å; D1026-H1099 PolarHBondContact OD1-CE1 2.87Å; D1026-H1099 VanDerWaalsContact OD1-CE1 3.23Å; D1026-H1099 IonicContact OD1-ND1 3.73Å; D1026-M1103 HydrophobicContact CB-CE 3.92Å; D1026-M1103 HydrophobicContact CB-SD 4.3Å; D1026-M1103 VanDerWaalsContact OD1-SD 3.33Å |
| 1027 | A | 59.8 | Low | 54.1 | Low | 35 Ų | 35 | 99.5 Ų | 99.5 | 29% | 0.289 | 54% | 0.54 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 125.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1032 A1077 | A1027-L1032 HydrophobicContact CB-CD1 3.94Å; A1027-L1032 HydrophobicContact CB-CD2 3.9Å; A1027-L1032 HydrophobicContact CB-CG 3.91Å; A1027-A1077 HydrophobicContact CB-CB 3.7Å |
| 1028 | T | 56.8 | Low | 54.9 | Low | 77 Ų | 77 | 99.8 Ų | 99.8 | 47% | 0.472 | 53% | 0.53 | S | S | . | . | P | Polyproline II helix | trans | -79 | 148 | 166.8 | 70.6 | 0 | 0 | 0 | 0 | 110.5 | D1026 E1030 E1031 L1032 | D1026-T1028 PolarHBondContact O-N 3.47Å; T1028-E1030 PolarHBondContact O-N 2.93Å; T1028-E1031 WeakPolarHBondContact CB-OE2 3.37Å; T1028-E1031 PolarHBondContact N-OE2 3.15Å; T1028-E1031 PolarHBondContact O-N 2.78Å; T1028-E1031 VanDerWaalsContact OG1-CD 3.23Å; T1028-E1031 VanDerWaalsContact OG1-CG 3.32Å; T1028-E1031 WeakPolarHBondContact OG1-CG 3.48Å; T1028-E1031 PolarHBondContact OG1-OE2 2.84Å; T1028-L1032 PolarHBondContact O-N 3.41Å |
| 1029 | G | 56.5 | Low | 55.5 | Low | 51 Ų | 51 | 98.1 Ų | 98.1 | 53% | 0.526 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.6 | -31.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | L1033 | G1029-L1033 WeakPolarHBondContact O-CG 3.32Å; G1029-L1033 PolarHBondContact O-N 3.08Å |
| 1030 | E | 56.6 | Low | 55.4 | Low | 136 Ų | 136 | 93.6 Ų | 93.6 | 64% | 0.636 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -68.7 | -36.7 | 178.2 | -161.7 | -164.4 | 127.5 | 0 | 0 | 112.5 | T1028 L1033 R1034 | T1028-E1030 PolarHBondContact O-N 2.93Å; E1030-L1033 PolarHBondContact O-N 3.27Å; E1030-R1034 PolarHBondContact O-N 3.02Å; E1030-R1034 IonicContact OE1-NH2 2.69Å; E1030-R1034 PolarHBondContact OE1-NH2 3.41Å |
| 1031 | E | 57.6 | Low | 55.6 | Low | 66 Ų | 66 | 90.8 Ų | 90.8 | 31% | 0.308 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -70 | -39.3 | 178.9 | -69.5 | 168.5 | 129.8 | 0 | 0 | 111.7 | T1028 L1033 R1034 F1035 | T1028-E1031 WeakPolarHBondContact CB-OE2 3.37Å; T1028-E1031 PolarHBondContact N-OE2 3.15Å; T1028-E1031 PolarHBondContact O-N 2.78Å; T1028-E1031 VanDerWaalsContact OG1-CD 3.23Å; T1028-E1031 VanDerWaalsContact OG1-CG 3.32Å; T1028-E1031 WeakPolarHBondContact OG1-CG 3.48Å; T1028-E1031 PolarHBondContact OG1-OE2 2.84Å; E1031-L1033 PolarHBondContact O-N 3.43Å; E1031-R1034 WeakPolarHBondContact O-CB 3.48Å; E1031-R1034 PolarHBondContact O-N 2.98Å; E1031-F1035 VanDerWaalsContact O-CD2 3.26Å; E1031-F1035 WeakPolarHBondContact O-CD2 3.45Å; E1031-F1035 PolarHBondContact O-N 3.4Å |
| 1032 | L | 61.8 | Low | 55.5 | Low | 52 Ų | 52 | 89 Ų | 89 | 27% | 0.272 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.7 | -42.3 | 175.4 | -65.5 | 176 | 0 | 0 | 0 | 111.8 | A1027 T1028 R1034 F1035 S1036 N1073 C1076 | A1027-L1032 HydrophobicContact CB-CD1 3.94Å; A1027-L1032 HydrophobicContact CB-CD2 3.9Å; A1027-L1032 HydrophobicContact CB-CG 3.91Å; T1028-L1032 PolarHBondContact O-N 3.41Å; L1032-R1034 PolarHBondContact O-N 3.28Å; L1032-F1035 PolarHBondContact O-N 2.89Å; L1032-S1036 PolarHBondContact O-N 3.07Å; L1032-S1036 VanDerWaalsContact O-N 3.08Å; L1032-N1073 HydrophobicContact CD2-CB 3.9Å; L1032-C1076 HydrophobicContact CD2-CB 4.36Å |
| 1033 | L | 57.8 | Low | 54.9 | Low | 110 Ų | 110 | 90.3 Ų | 90.3 | 58% | 0.576 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.8 | -22.6 | 177.5 | -71.9 | 170.3 | 0 | 0 | 0 | 113.6 | G1029 E1030 E1031 S1036 Q1037 | G1029-L1033 WeakPolarHBondContact O-CG 3.32Å; G1029-L1033 PolarHBondContact O-N 3.08Å; E1030-L1033 PolarHBondContact O-N 3.27Å; E1031-L1033 PolarHBondContact O-N 3.43Å; L1033-S1036 PolarHBondContact O-OG 3.47Å; L1033-Q1037 PolarHBondContact O-NE2 3.36Å |
| 1034 | R | 57.2 | Low | 53.8 | Low | 140 Ų | 140 | 89 Ų | 89 | 53% | 0.528 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -72.7 | -38.1 | 175.9 | -164.1 | 177.3 | -63.8 | 142.8 | 3 | 111.9 | E1030 E1031 L1032 | E1030-R1034 PolarHBondContact O-N 3.02Å; E1030-R1034 IonicContact OE1-NH2 2.69Å; E1030-R1034 PolarHBondContact OE1-NH2 3.41Å; E1031-R1034 WeakPolarHBondContact O-CB 3.48Å; E1031-R1034 PolarHBondContact O-N 2.98Å; L1032-R1034 PolarHBondContact O-N 3.28Å |
| 1035 | F | 50.2 | Low | 52.4 | Low | 84 Ų | 84 | 92.1 Ų | 92.1 | 37% | 0.368 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -86.9 | -27.1 | 179.5 | -67.5 | -69.6 | 0 | 0 | 0 | 113.8 | E1031 L1032 Q1037 S1038 C1076 | E1031-F1035 VanDerWaalsContact O-CD2 3.26Å; E1031-F1035 WeakPolarHBondContact O-CD2 3.45Å; E1031-F1035 PolarHBondContact O-N 3.4Å; L1032-F1035 PolarHBondContact O-N 2.89Å; F1035-Q1037 PolarHBondContact O-N 3.08Å; F1035-Q1037 VanDerWaalsContact O-N 3.14Å; F1035-S1038 PolarHBondContact O-N 3.16Å; F1035-S1038 PolarHBondContact O-OG 2.91Å; F1035-S1038 VanDerWaalsContact O-OG 3.06Å; F1035-C1076 HydrophobicContact CD2-CB 3.7Å; F1035-C1076 HydrophobicContact CE2-CB 4.12Å; F1035-C1076 HydrophobicContact CG-CB 4.35Å |
| 1036 | S | 55.1 | Low | 51.4 | Low | 77 Ų | 77 | 95 Ų | 95 | 54% | 0.538 | 54% | 0.542 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -12.4 | 178.9 | 67.8 | 0 | 0 | 0 | 0 | 114.4 | L1032 L1033 | L1032-S1036 PolarHBondContact O-N 3.07Å; L1032-S1036 VanDerWaalsContact O-N 3.08Å; L1033-S1036 PolarHBondContact O-OG 3.47Å |
| 1037 | Q | 51.8 | Low | 50.6 | Low | 165 Ų | 165 | 98.3 Ų | 98.3 | 77% | 0.771 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | -12.6 | 178.1 | -66.8 | 176.5 | 68.4 | 0 | 0 | 113.3 | L1033 F1035 | L1033-Q1037 PolarHBondContact O-NE2 3.36Å; F1035-Q1037 PolarHBondContact O-N 3.08Å; F1035-Q1037 VanDerWaalsContact O-N 3.14Å |
| 1038 | S | 45.9 | Very low | 50.4 | Low | 80 Ų | 80 | 97.9 Ų | 97.9 | 56% | 0.559 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -104.5 | -2.1 | -171.2 | 59.3 | 0 | 0 | 0 | 0 | 115.2 | F1035 | F1035-S1038 PolarHBondContact O-N 3.16Å; F1035-S1038 PolarHBondContact O-OG 2.91Å; F1035-S1038 VanDerWaalsContact O-OG 3.06Å |
| 1039 | L | 47.5 | Very low | 50.3 | Low | 94 Ų | 94 | 98.1 Ų | 98.1 | 49% | 0.492 | 55% | 0.546 | S | S | . | . | trans | -123.1 | 127.6 | -177.4 | -68.9 | 175.4 | 0 | 0 | 0 | 111.5 | L1043 | L1039-L1043 HydrophobicContact CD2-CD1 4.18Š| ||
| 1040 | A | 38.1 | Very low | 50.7 | Low | 66 Ų | 66 | 102.4 Ų | 102.4 | 55% | 0.545 | 55% | 0.55 | S | S | . | * | trans | -68.4 | 149.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | S1042 | A1040-S1042 PolarHBondContact O-N 2.82Š| ||
| 1041 | P | 44.6 | Very low | 51.5 | Low | 117 Ų | 117 | 97 Ų | 97 | 76% | 0.76 | 53% | 0.526 | S | S | * | . | G | 310 helix | trans | -59.8 | -5.2 | 179.4 | -27.1 | 36.1 | 0 | 0 | 0 | 116.4 | L1043 C1044 | P1041-L1043 PolarHBondContact O-N 3.47Å; P1041-L1043 VanDerWaalsContact O-N 3.07Å; P1041-C1044 WeakPolarHBondContact O-CB 3.46Å; P1041-C1044 PolarHBondContact O-N 2.91Å; P1041-C1044 VanDerWaalsContact O-N 3.15Å |
| 1042 | S | 40 | Very low | 52.4 | Low | 104 Ų | 104 | 98.7 Ų | 98.7 | 73% | 0.727 | 54% | 0.536 | S | S | * | . | G | 310 helix | trans | -72.1 | 8.7 | -175.7 | 57.9 | 0 | 0 | 0 | 0 | 115.9 | A1040 | A1040-S1042 PolarHBondContact O-N 2.82Š|
| 1043 | L | 44.3 | Very low | 53.2 | Low | 111 Ų | 111 | 97 Ų | 97 | 58% | 0.581 | 53% | 0.526 | S | S | * | . | G | 310 helix | trans | -99.9 | -8.4 | 168.4 | -77.1 | 173.1 | 0 | 0 | 0 | 113.5 | L1039 P1041 D1045 | L1039-L1043 HydrophobicContact CD2-CD1 4.18Å; P1041-L1043 PolarHBondContact O-N 3.47Å; P1041-L1043 VanDerWaalsContact O-N 3.07Å; L1043-D1045 PolarHBondContact O-N 3.34Å |
| 1044 | C | 44 | Very low | 53.8 | Low | 87 Ų | 87 | 93.7 Ų | 93.7 | 59% | 0.588 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -77.4 | 99.8 | 162.2 | -66 | 0 | 0 | 0 | 0 | 108 | P1041 | P1041-C1044 WeakPolarHBondContact O-CB 3.46Å; P1041-C1044 PolarHBondContact O-N 2.91Å; P1041-C1044 VanDerWaalsContact O-N 3.15Å |
| 1045 | D | 43 | Very low | 54 | Low | 99 Ų | 99 | 92.7 Ų | 92.7 | 53% | 0.529 | 52% | 0.516 | S | S | . | . | trans | -69.7 | 133.2 | 172.4 | -178.5 | 12.1 | 0 | 0 | 0 | 109 | L1043 F1047 E1048 | L1043-D1045 PolarHBondContact O-N 3.34Å; D1045-F1047 PolarHBondContact O-N 3.47Å; D1045-E1048 HydrophobicContact CB-CG 4.17Å; D1045-E1048 PolarHBondContact O-N 2.65Å | ||
| 1046 | D | 46.8 | Very low | 54.9 | Low | 161 Ų | 161 | 92.2 Ų | 92.2 | 86% | 0.861 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -11.2 | -174.6 | -84.7 | -39.3 | 0 | 0 | 0 | 113.3 | ||
| 1047 | F | 46.7 | Very low | 55.2 | Low | 152 Ų | 152 | 92.4 Ų | 92.4 | 67% | 0.667 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.1 | 8.5 | -179.8 | -57.9 | -79 | 0 | 0 | 0 | 114.5 | D1045 T1049 | D1045-F1047 PolarHBondContact O-N 3.47Å; F1047-T1049 PolarHBondContact O-N 3.41Å |
| 1048 | E | 56.9 | Low | 55.5 | Low | 27 Ų | 27 | 95.1 Ų | 95.1 | 13% | 0.126 | 53% | 0.527 | C | S | . | . | trans | -58.3 | 105.9 | 175.3 | -77.4 | -153.6 | -113.4 | 0 | 0 | 111.5 | D1045 F1050 H1068 R1119 | D1045-E1048 HydrophobicContact CB-CG 4.17Å; D1045-E1048 PolarHBondContact O-N 2.65Å; E1048-F1050 WeakPolarHBondContact O-CD2 3.45Å; E1048-F1050 WeakPolarHBondContact O-CE2 3.13Å; E1048-F1050 PolarHBondContact O-N 2.92Å; E1048-H1068 WeakPolarHBondContact OE2-CB 3.27Å; E1048-H1068 IonicContact OE2-CG 2.89Å; E1048-R1119 IonicContact OE1-CZ 2.69Å; E1048-R1119 IonicContact OE1-NH2 2.65Å; E1048-R1119 PolarHBondContact OE1-NH2 3.43Å; E1048-R1119 IonicContact OE2-CZ 2.96Å; E1048-R1119 IonicContact OE2-NE 3.84Å; E1048-R1119 IonicContact OE2-NH2 3.62Å; E1048-R1119 PolarHBondContact OE2-NH2 3.12Å | ||
| 1049 | T | 54.9 | Low | 56.2 | Low | 82 Ų | 82 | 100.7 Ų | 100.7 | 50% | 0.503 | 54% | 0.541 | S | S | . | . | trans | -68.3 | 110.6 | 179.7 | -55.4 | 0 | 0 | 0 | 0 | 108.5 | F1047 V1051 R1118 | F1047-T1049 PolarHBondContact O-N 3.41Å; T1049-V1051 VanDerWaalsContact C-N 3.26Å; T1049-V1051 PolarHBondContact O-N 2.87Å; T1049-R1118 PolarHBondContact OG1-NH1 3.31Å; T1049-R1118 PolarHBondContact OG1-NH2 3.43Å | ||
| 1050 | F | 63.4 | Low | 57 | Low | 141 Ų | 141 | 97.2 Ų | 97.2 | 62% | 0.618 | 52% | 0.524 | S | S | * | . | trans | -63.2 | 79.2 | -177.9 | -68.7 | -96.6 | 0 | 0 | 0 | 112.2 | E1048 M1052 H1068 | E1048-F1050 WeakPolarHBondContact O-CD2 3.45Å; E1048-F1050 WeakPolarHBondContact O-CE2 3.13Å; E1048-F1050 PolarHBondContact O-N 2.92Å; F1050-M1052 PolarHBondContact O-N 3.38Å; F1050-H1068 AromaticContact CD1-CE1 3.64Å; F1050-H1068 AromaticContact CE1-CE1 3.64Å | ||
| 1051 | V | 73.9 | Confident | 57.9 | Low | 21 Ų | 21 | 97.9 Ų | 97.9 | 13% | 0.127 | 52% | 0.523 | C | S | . | . | trans | -67.4 | 99.5 | 170.4 | 175.4 | 0 | 0 | 0 | 0 | 108 | T1049 L1067 Y1107 D1111 | T1049-V1051 VanDerWaalsContact C-N 3.26Å; T1049-V1051 PolarHBondContact O-N 2.87Å; V1051-L1067 HydrophobicContact CB-CB 3.82Å; V1051-L1067 HydrophobicContact CB-CD2 4.06Å; V1051-L1067 HydrophobicContact CG1-CB 3.92Å; V1051-L1067 HydrophobicContact CG1-CD2 3.83Å; V1051-L1067 HydrophobicContact CG2-CD2 4.47Å; V1051-L1067 WeakPolarHBondContact O-CB 3.47Å; V1051-L1067 PolarHBondContact O-N 3.39Å; V1051-Y1107 HydrophobicContact CG1-CD1 4.09Å; V1051-D1111 HydrophobicContact CB-CB 4.41Å; V1051-D1111 HydrophobicContact CG1-CB 3.54Å; V1051-D1111 HydrophobicContact CG2-CB 3.92Å | ||
| 1052 | M | 77.2 | Confident | 58.6 | Low | 103 Ų | 103 | 100.3 Ų | 100.3 | 51% | 0.507 | 52% | 0.524 | S | S | . | . | P | Polyproline II helix | trans | -81.1 | 169.1 | 173.3 | -66.7 | -164.8 | 75.8 | 0 | 0 | 111.4 | F1050 L1064 | F1050-M1052 PolarHBondContact O-N 3.38Å; M1052-L1064 HydrophobicContact CE-CB 4.05Å; M1052-L1064 HydrophobicContact CE-CD1 4.29Å |
| 1053 | Q | 78.3 | Confident | 59.9 | Low | 16 Ų | 16 | 100.7 Ų | 100.7 | 8% | 0.075 | 52% | 0.524 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 134.9 | 178.7 | -62 | -178.2 | 18 | 0 | 0 | 111.8 | L1064 V1065 H1105 R1106 Y1107 | Q1053-L1064 HydrophobicContact CB-CD2 4.12Å; Q1053-V1065 WeakPolarHBondContact CG-O 3.14Å; Q1053-V1065 PolarHBondContact NE2-O 3.46Å; Q1053-H1105 PolarHBondContact NE2-ND1 2.79Å; Q1053-R1106 CarbonylContact C-O 3.43Å; Q1053-R1106 VanDerWaalsContact C-O 3.31Å; Q1053-R1106 WeakPolarHBondContact CA-O 3.28Å; Q1053-R1106 VanDerWaalsContact CB-O 3.25Å; Q1053-R1106 WeakPolarHBondContact CB-O 3.45Å; Q1053-Y1107 HydrophobicContact CB-CE1 4.38Å; Q1053-Y1107 HydrophobicContact CG-CD1 4.21Å; Q1053-Y1107 HydrophobicContact CG-CE1 3.52Å |
| 1054 | T | 69.6 | Low | 61.3 | Low | 41 Ų | 41 | 98 Ų | 98 | 25% | 0.252 | 51% | 0.509 | S | S | . | . | S | Bend | trans | -92.1 | 148.4 | 176.7 | 68.8 | 0 | 0 | 0 | 0 | 110.8 | R1106 D1108 | T1054-R1106 PolarHBondContact N-O 3.39Å; T1054-R1106 WeakPolarHBondContact O-CB 3.41Å; T1054-D1108 HydrophobicContact CG2-CB 4.23Å |
| 1055 | N | 62 | Low | 63 | Low | 118 Ų | 118 | 95.1 Ų | 95.1 | 63% | 0.631 | 49% | 0.489 | S | S | * | . | S | Bend | trans | 60.9 | 46.7 | -177.7 | -49.5 | -91.5 | 0 | 0 | 0 | 113 | T1057 | N1055-T1057 PolarHBondContact O-N 3.36Š|
| 1056 | V | 68.1 | Low | 64.9 | Low | 75 Ų | 75 | 91.6 Ų | 91.6 | 46% | 0.455 | 47% | 0.472 | S | S | . | . | trans | -55.2 | 132.7 | 164.7 | -173.1 | 0 | 0 | 0 | 0 | 109.1 | L1064 | V1056-L1064 HydrophobicContact CB-CD2 4.48Å; V1056-L1064 HydrophobicContact CG1-CD1 4.29Å; V1056-L1064 HydrophobicContact CG1-CD2 4.07Å; V1056-L1064 HydrophobicContact CG2-CD1 4.16Å; V1056-L1064 HydrophobicContact CG2-CD2 3.63Å | ||
| 1057 | T | 62.5 | Low | 66.7 | Low | 81 Ų | 81 | 84 Ų | 84 | 50% | 0.497 | 43% | 0.431 | S | S | . | . | trans | -137.5 | 169.7 | 179.4 | 61.9 | 0 | 0 | 0 | 0 | 110.4 | N1055 K1059 T1060 | N1055-T1057 PolarHBondContact O-N 3.36Å; T1057-K1059 PolarHBondContact O-N 2.9Å; T1057-K1059 PolarHBondContact OG1-N 3.26Å; T1057-T1060 PolarHBondContact N-OG1 2.81Å; T1057-T1060 PolarHBondContact O-N 3.44Å; T1057-T1060 VanDerWaalsContact O-N 3.09Å; T1057-T1060 PolarHBondContact O-OG1 3.39Å | ||
| 1058 | K | 58.6 | Low | 68.3 | Low | 221 Ų | 221 | 78.2 Ų | 78.2 | 96% | 0.961 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | 8.6 | 172 | -58.8 | -168.7 | 177 | -168.1 | 0 | 114.7 | ||
| 1059 | K | 60.8 | Low | 69.6 | Low | 197 Ų | 197 | 80.4 Ų | 80.4 | 86% | 0.857 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.7 | 1.8 | 176.3 | -61.5 | -167.5 | 178 | -168 | 0 | 113.8 | T1057 | T1057-K1059 PolarHBondContact O-N 2.9Å; T1057-K1059 PolarHBondContact OG1-N 3.26Å |
| 1060 | T | 64.1 | Low | 70.9 | Confident | 21 Ų | 21 | 76.8 Ų | 76.8 | 13% | 0.129 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -82.4 | 128.9 | 168.1 | 43 | 0 | 0 | 0 | 0 | 108.4 | T1057 | T1057-T1060 PolarHBondContact N-OG1 2.81Å; T1057-T1060 PolarHBondContact O-N 3.44Å; T1057-T1060 VanDerWaalsContact O-N 3.09Å; T1057-T1060 PolarHBondContact O-OG1 3.39Å |
| 1061 | P | 57 | Low | 72 | Confident | 81 Ų | 81 | 70.6 Ų | 70.6 | 53% | 0.526 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 149.4 | 176.7 | 27.5 | -34.5 | 0 | 0 | 0 | 110.5 | ||
| 1062 | Q | 58.4 | Low | 72.4 | Confident | 168 Ų | 168 | 73.2 Ų | 73.2 | 79% | 0.785 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -103.8 | 148.4 | 167.9 | -62.5 | -175.4 | 10.8 | 0 | 0 | 107.8 | ||
| 1063 | P | 66.8 | Low | 72.7 | Confident | 112 Ų | 112 | 70.7 Ų | 70.7 | 73% | 0.727 | 37% | 0.368 | S | S | * | . | S | Bend | cis | -76.6 | 158 | 6.5 | 31.7 | -36.8 | 0 | 0 | 0 | 115 | V1065 | P1063-V1065 PolarHBondContact O-N 3.14Š|
| 1064 | L | 73.7 | Confident | 73 | Confident | 53 Ų | 53 | 70.3 Ų | 70.3 | 28% | 0.277 | 37% | 0.367 | S | S | . | . | trans | -79.7 | 96.8 | 175.7 | -75.5 | 164 | 0 | 0 | 0 | 110.8 | M1052 Q1053 V1056 P1066 | M1052-L1064 HydrophobicContact CE-CB 4.05Å; M1052-L1064 HydrophobicContact CE-CD1 4.29Å; Q1053-L1064 HydrophobicContact CB-CD2 4.12Å; V1056-L1064 HydrophobicContact CB-CD2 4.48Å; V1056-L1064 HydrophobicContact CG1-CD1 4.29Å; V1056-L1064 HydrophobicContact CG1-CD2 4.07Å; V1056-L1064 HydrophobicContact CG2-CD1 4.16Å; V1056-L1064 HydrophobicContact CG2-CD2 3.63Å; L1064-P1066 WeakPolarHBondContact O-CD 3.49Å | ||
| 1065 | V | 79.9 | Confident | 73.7 | Confident | 27 Ų | 27 | 69.9 Ų | 69.9 | 16% | 0.164 | 36% | 0.362 | C | S | . | . | trans | -70 | 121.3 | -178.2 | -172 | 0 | 0 | 0 | 0 | 111.3 | Q1053 P1063 I1069 A1070 Y1107 | Q1053-V1065 WeakPolarHBondContact CG-O 3.14Å; Q1053-V1065 PolarHBondContact NE2-O 3.46Å; P1063-V1065 PolarHBondContact O-N 3.14Å; V1065-I1069 HydrophobicContact CG1-CB 3.87Å; V1065-I1069 HydrophobicContact CG1-CG2 3.99Å; V1065-A1070 HydrophobicContact CG1-CB 3.95Å; V1065-Y1107 PolarHBondContact O-OH 3.32Å | ||
| 1066 | P | 84.1 | Confident | 74.5 | Confident | 25 Ų | 25 | 65 Ų | 65 | 16% | 0.162 | 34% | 0.338 | C | S | . | . | trans | -63.6 | 152.7 | 171.9 | -20 | 32.7 | 0 | 0 | 0 | 112.4 | L1064 H1068 I1069 A1070 | L1064-P1066 WeakPolarHBondContact O-CD 3.49Å; P1066-H1068 VanDerWaalsContact C-N 3.32Å; P1066-H1068 PolarHBondContact O-N 2.85Å; P1066-I1069 HydrophobicContact CB-CG1 4.46Å; P1066-I1069 HydrophobicContact CG-CD1 4.2Å; P1066-I1069 HydrophobicContact CG-CG1 4.41Å; P1066-I1069 PolarHBondContact O-N 2.85Å; P1066-I1069 VanDerWaalsContact O-N 3.15Å; P1066-A1070 PolarHBondContact O-N 3.42Å | ||
| 1067 | L | 83.8 | Confident | 75.1 | Confident | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -57.9 | -39.5 | -175.5 | 178.7 | 58.9 | 0 | 0 | 0 | 113.5 | V1051 I1069 A1070 W1071 L1100 Y1107 L1112 F1115 | V1051-L1067 HydrophobicContact CB-CB 3.82Å; V1051-L1067 HydrophobicContact CB-CD2 4.06Å; V1051-L1067 HydrophobicContact CG1-CB 3.92Å; V1051-L1067 HydrophobicContact CG1-CD2 3.83Å; V1051-L1067 HydrophobicContact CG2-CD2 4.47Å; V1051-L1067 WeakPolarHBondContact O-CB 3.47Å; V1051-L1067 PolarHBondContact O-N 3.39Å; L1067-I1069 VanDerWaalsContact C-N 3.35Å; L1067-I1069 PolarHBondContact O-N 3.44Å; L1067-A1070 PolarHBondContact O-N 3.14Å; L1067-W1071 WeakPolarHBondContact O-CB 3.39Å; L1067-W1071 PolarHBondContact O-N 2.95Å; L1067-L1100 HydrophobicContact CD1-CD1 4.44Å; L1067-Y1107 HydrophobicContact CB-CD1 4.02Å; L1067-Y1107 HydrophobicContact CB-CE1 3.84Å; L1067-Y1107 HydrophobicContact CD1-CD1 4.31Å; L1067-Y1107 HydrophobicContact CD1-CD2 3.81Å; L1067-Y1107 HydrophobicContact CD1-CE1 4.37Å; L1067-Y1107 HydrophobicContact CD1-CE2 3.88Å; L1067-Y1107 HydrophobicContact CD1-CG 4.04Å; L1067-L1112 HydrophobicContact CD1-CD1 3.71Å; L1067-L1112 HydrophobicContact CD2-CD1 4.06Å; L1067-L1112 HydrophobicContact CG-CD1 4.47Å; L1067-F1115 HydrophobicContact CD2-CB 3.75Å; L1067-F1115 HydrophobicContact CD2-CD1 3.88Å; L1067-F1115 HydrophobicContact CD2-CD2 4.43Å; L1067-F1115 HydrophobicContact CD2-CG 3.76Å; L1067-F1115 HydrophobicContact CG-CD1 4.08Å; L1067-F1115 HydrophobicContact CG-CE1 4.38Å; L1067-F1115 HydrophobicContact CG-CG 4.27Å |
| 1068 | H | 81.1 | Confident | 76 | Confident | 32 Ų | 32 | 58.4 Ų | 58.4 | 15% | 0.148 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.1 | -37.7 | 180 | 60.9 | -104.2 | 0 | 0 | 0 | 112.1 | E1048 F1050 P1066 H1072 F1115 | E1048-H1068 WeakPolarHBondContact OE2-CB 3.27Å; E1048-H1068 IonicContact OE2-CG 2.89Å; F1050-H1068 AromaticContact CD1-CE1 3.64Å; F1050-H1068 AromaticContact CE1-CE1 3.64Å; P1066-H1068 VanDerWaalsContact C-N 3.32Å; P1066-H1068 PolarHBondContact O-N 2.85Å; H1068-H1072 VanDerWaalsContact O-CB 3.25Å; H1068-H1072 WeakPolarHBondContact O-CB 3.36Å; H1068-H1072 PolarHBondContact O-N 3.46Å; H1068-F1115 HydrophobicContact CB-CE2 3.9Å; H1068-F1115 HydrophobicContact CB-CZ 4.02Å |
| 1069 | I | 82.8 | Confident | 77 | Confident | 72 Ų | 72 | 52.2 Ų | 52.2 | 37% | 0.369 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -69.8 | -45.4 | 175.6 | -51.6 | -168.3 | 0 | 0 | 0 | 110.2 | V1065 P1066 L1067 W1071 H1072 N1073 | V1065-I1069 HydrophobicContact CG1-CB 3.87Å; V1065-I1069 HydrophobicContact CG1-CG2 3.99Å; P1066-I1069 HydrophobicContact CB-CG1 4.46Å; P1066-I1069 HydrophobicContact CG-CD1 4.2Å; P1066-I1069 HydrophobicContact CG-CG1 4.41Å; P1066-I1069 PolarHBondContact O-N 2.85Å; P1066-I1069 VanDerWaalsContact O-N 3.15Å; L1067-I1069 VanDerWaalsContact C-N 3.35Å; L1067-I1069 PolarHBondContact O-N 3.44Å; I1069-W1071 VanDerWaalsContact C-N 3.29Å; I1069-W1071 PolarHBondContact O-N 3.29Å; I1069-H1072 PolarHBondContact O-N 2.99Å; I1069-N1073 WeakPolarHBondContact O-CB 3.47Å; I1069-N1073 PolarHBondContact O-N 3.01Å; I1069-N1073 PolarHBondContact O-OD1 2.98Å |
| 1070 | A | 83.6 | Confident | 77.7 | Confident | 6 Ų | 6 | 48.5 Ų | 48.5 | 5% | 0.05 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.2 | -37.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | V1065 P1066 L1067 L1074 L1100 Y1107 | V1065-A1070 HydrophobicContact CG1-CB 3.95Å; P1066-A1070 PolarHBondContact O-N 3.42Å; L1067-A1070 PolarHBondContact O-N 3.14Å; A1070-L1074 VanDerWaalsContact O-CB 3.31Å; A1070-L1074 WeakPolarHBondContact O-CB 3.27Å; A1070-L1074 PolarHBondContact O-N 2.67Å; A1070-L1100 HydrophobicContact CB-CD2 4.17Å; A1070-Y1107 HydrophobicContact CB-CE2 4.27Å; A1070-Y1107 VanDerWaalsContact CB-OH 3.25Å; A1070-Y1107 WeakPolarHBondContact CB-OH 3.32Å |
| 1071 | W | 85.4 | Confident | 78.6 | Confident | 11 Ų | 11 | 47.5 Ų | 47.5 | 4% | 0.042 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -72.6 | -42 | 176.5 | -179.2 | -109.9 | 0 | 0 | 0 | 112.8 | L1067 I1069 L1074 I1075 L1081 V1085 I1091 V1096 F1115 F1116 I1121 | L1067-W1071 WeakPolarHBondContact O-CB 3.39Å; L1067-W1071 PolarHBondContact O-N 2.95Å; I1069-W1071 VanDerWaalsContact C-N 3.29Å; I1069-W1071 PolarHBondContact O-N 3.29Å; W1071-L1074 HydrophobicContact CE3-CD2 3.85Å; W1071-L1074 HydrophobicContact CZ3-CD2 3.76Å; W1071-L1074 PolarHBondContact O-N 2.88Å; W1071-I1075 HydrophobicContact CD2-CD1 4.44Å; W1071-I1075 HydrophobicContact CG-CD1 4.47Å; W1071-I1075 HydrophobicContact CZ2-CD1 4.13Å; W1071-I1075 HydrophobicContact CZ2-CG1 4.27Å; W1071-I1075 VanDerWaalsContact NE1-CD1 3.27Å; W1071-I1075 WeakPolarHBondContact O-CG1 3.3Å; W1071-I1075 PolarHBondContact O-N 3.25Å; W1071-L1081 HydrophobicContact CH2-CD1 4Å; W1071-L1081 HydrophobicContact CH2-CD2 3.78Å; W1071-L1081 HydrophobicContact CH2-CG 4.39Å; W1071-L1081 HydrophobicContact CZ2-CD2 4.03Å; W1071-L1081 HydrophobicContact CZ3-CD1 4.3Å; W1071-L1081 HydrophobicContact CZ3-CD2 4.41Å; W1071-V1085 HydrophobicContact CZ2-CG2 4.24Å; W1071-I1091 HydrophobicContact CH2-CD1 4.28Å; W1071-V1096 HydrophobicContact CE3-CG1 4.31Å; W1071-V1096 HydrophobicContact CZ3-CG1 3.82Å; W1071-V1096 HydrophobicContact CZ3-CG2 4.14Å; W1071-F1115 HydrophobicContact CB-CE1 3.81Å; W1071-F1115 HydrophobicContact CB-CZ 4.24Å; W1071-F1115 AromaticContact CD1-CE1 3.5Å; W1071-F1115 VanDerWaalsContact CD1-CE1 3.5Å; W1071-F1115 AromaticContact CD1-CZ 3.9Å; W1071-F1115 HydrophobicContact CD2-CE1 4.4Å; W1071-F1115 AromaticContact CG-CE1 3.61Å; W1071-F1115 HydrophobicContact CG-CE1 3.61Å; W1071-F1115 HydrophobicContact CG-CZ 4.25Å; W1071-F1116 AromaticContact CD2-CE1 3.68Å; W1071-F1116 HydrophobicContact CD2-CE1 3.68Å; W1071-F1116 HydrophobicContact CD2-CZ 4.18Å; W1071-F1116 AromaticContact CE2-CE1 3.73Å; W1071-F1116 AromaticContact CE3-CE1 3.68Å; W1071-F1116 HydrophobicContact CE3-CE1 3.68Å; W1071-F1116 AromaticContact CE3-CZ 3.71Å; W1071-F1116 HydrophobicContact CE3-CZ 3.71Å; W1071-F1116 HydrophobicContact CG-CE1 4.42Å; W1071-F1116 AromaticContact CH2-CE1 3.84Å; W1071-F1116 HydrophobicContact CH2-CE1 3.84Å; W1071-F1116 HydrophobicContact CH2-CE2 4.39Å; W1071-F1116 AromaticContact CH2-CZ 3.58Å; W1071-F1116 HydrophobicContact CH2-CZ 3.58Å; W1071-F1116 AromaticContact CZ2-CE1 3.83Å; W1071-F1116 HydrophobicContact CZ2-CE1 3.83Å; W1071-F1116 HydrophobicContact CZ2-CZ 4.05Å; W1071-F1116 AromaticContact CZ3-CE1 3.78Å; W1071-F1116 HydrophobicContact CZ3-CE1 3.78Å; W1071-F1116 HydrophobicContact CZ3-CE2 4.45Å; W1071-F1116 AromaticContact CZ3-CZ 3.4Å; W1071-F1116 HydrophobicContact CZ3-CZ 3.4Å; W1071-I1121 HydrophobicContact CZ2-CD1 3.73Å |
| 1072 | H | 83.6 | Confident | 79.9 | Confident | 76 Ų | 76 | 47.9 Ų | 47.9 | 35% | 0.352 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -57.5 | -49.5 | 172.6 | 176.1 | -88 | 0 | 0 | 0 | 110.9 | H1068 I1069 L1074 I1075 C1076 | H1068-H1072 VanDerWaalsContact O-CB 3.25Å; H1068-H1072 WeakPolarHBondContact O-CB 3.36Å; H1068-H1072 PolarHBondContact O-N 3.46Å; I1069-H1072 PolarHBondContact O-N 2.99Å; H1072-L1074 VanDerWaalsContact C-N 3.3Å; H1072-L1074 PolarHBondContact O-N 3.45Å; H1072-I1075 WeakPolarHBondContact O-CB 3.31Å; H1072-I1075 PolarHBondContact O-N 2.71Å; H1072-I1075 VanDerWaalsContact O-N 3.17Å; H1072-C1076 PolarHBondContact CE1-SG 3.01Å; H1072-C1076 PolarHBondContact O-N 2.91Å; H1072-C1076 PolarHBondContact O-SG 3.19Å; H1072-C1076 VanDerWaalsContact O-SG 3.37Å |
| 1073 | N | 82.9 | Confident | 81.1 | Confident | 51 Ų | 51 | 46 Ų | 46 | 27% | 0.273 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.2 | -36.6 | 178.3 | -65.9 | 1.4 | 0 | 0 | 0 | 111.9 | L1032 I1069 C1076 A1077 | L1032-N1073 HydrophobicContact CD2-CB 3.9Å; I1069-N1073 WeakPolarHBondContact O-CB 3.47Å; I1069-N1073 PolarHBondContact O-N 3.01Å; I1069-N1073 PolarHBondContact O-OD1 2.98Å; N1073-C1076 PolarHBondContact O-N 3.44Å; N1073-A1077 WeakPolarHBondContact O-CB 3.43Å; N1073-A1077 PolarHBondContact O-N 3.24Å |
| 1074 | L | 84.3 | Confident | 81.9 | Confident | 7 Ų | 7 | 41.1 Ų | 41.1 | 4% | 0.037 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.1 | -40.6 | 174.5 | -176.5 | 60.7 | 0 | 0 | 0 | 112.4 | F1024 A1070 W1071 H1072 N1078 V1096 H1099 L1100 | F1024-L1074 HydrophobicContact CB-CD1 4.5Å; F1024-L1074 HydrophobicContact CD1-CD1 4.1Å; A1070-L1074 VanDerWaalsContact O-CB 3.31Å; A1070-L1074 WeakPolarHBondContact O-CB 3.27Å; A1070-L1074 PolarHBondContact O-N 2.67Å; W1071-L1074 HydrophobicContact CE3-CD2 3.85Å; W1071-L1074 HydrophobicContact CZ3-CD2 3.76Å; W1071-L1074 PolarHBondContact O-N 2.88Å; H1072-L1074 VanDerWaalsContact C-N 3.3Å; H1072-L1074 PolarHBondContact O-N 3.45Å; L1074-N1078 WeakPolarHBondContact O-CB 3.36Å; L1074-N1078 PolarHBondContact O-N 3.01Å; L1074-N1078 PolarHBondContact O-ND2 3.08Å; L1074-V1096 HydrophobicContact CD2-CG1 3.94Å; L1074-H1099 WeakPolarHBondContact CD1-CD2 3.36Å; L1074-H1099 VanDerWaalsContact CD1-NE2 3.31Å; L1074-H1099 WeakPolarHBondContact CD1-NE2 3.4Å; L1074-L1100 HydrophobicContact CD2-CD2 4.42Å |
| 1075 | I | 84.8 | Confident | 82.6 | Confident | 32 Ų | 32 | 40.2 Ų | 40.2 | 16% | 0.164 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.4 | -51.7 | 172.4 | -77 | 173.3 | 0 | 0 | 0 | 110.4 | W1071 H1072 A1077 N1078 L1081 H1082 | W1071-I1075 HydrophobicContact CD2-CD1 4.44Å; W1071-I1075 HydrophobicContact CG-CD1 4.47Å; W1071-I1075 HydrophobicContact CZ2-CD1 4.13Å; W1071-I1075 HydrophobicContact CZ2-CG1 4.27Å; W1071-I1075 VanDerWaalsContact NE1-CD1 3.27Å; W1071-I1075 WeakPolarHBondContact O-CG1 3.3Å; W1071-I1075 PolarHBondContact O-N 3.25Å; H1072-I1075 WeakPolarHBondContact O-CB 3.31Å; H1072-I1075 PolarHBondContact O-N 2.71Å; H1072-I1075 VanDerWaalsContact O-N 3.17Å; I1075-A1077 VanDerWaalsContact C-N 3.31Å; I1075-A1077 PolarHBondContact O-N 3.02Å; I1075-N1078 CarbonylContact O-C 3.12Å; I1075-N1078 PolarHBondContact O-N 3.13Å; I1075-N1078 VanDerWaalsContact O-N 3.08Å; I1075-L1081 HydrophobicContact CB-CD2 4.43Å; I1075-L1081 HydrophobicContact CG1-CD2 3.52Å; I1075-H1082 HydrophobicContact CG2-CB 3.93Å |
| 1076 | C | 79.1 | Confident | 82.8 | Confident | 17 Ų | 17 | 44.3 Ų | 44.3 | 12% | 0.115 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.2 | -37.5 | -178.1 | -70.4 | 0 | 0 | 0 | 0 | 113.1 | L1032 F1035 H1072 N1073 N1078 | L1032-C1076 HydrophobicContact CD2-CB 4.36Å; F1035-C1076 HydrophobicContact CD2-CB 3.7Å; F1035-C1076 HydrophobicContact CE2-CB 4.12Å; F1035-C1076 HydrophobicContact CG-CB 4.35Å; H1072-C1076 PolarHBondContact CE1-SG 3.01Å; H1072-C1076 PolarHBondContact O-N 2.91Å; H1072-C1076 PolarHBondContact O-SG 3.19Å; H1072-C1076 VanDerWaalsContact O-SG 3.37Å; N1073-C1076 PolarHBondContact O-N 3.44Å; C1076-N1078 VanDerWaalsContact C-N 3.33Å |
| 1077 | A | 79.3 | Confident | 82.9 | Confident | 6 Ų | 6 | 47.3 Ų | 47.3 | 5% | 0.05 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -77 | -15.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | A1027 N1073 I1075 | A1027-A1077 HydrophobicContact CB-CB 3.7Å; N1073-A1077 WeakPolarHBondContact O-CB 3.43Å; N1073-A1077 PolarHBondContact O-N 3.24Å; I1075-A1077 VanDerWaalsContact C-N 3.31Å; I1075-A1077 PolarHBondContact O-N 3.02Å |
| 1078 | N | 81.9 | Confident | 82.8 | Confident | 11 Ų | 11 | 54.2 Ų | 54.2 | 6% | 0.059 | 28% | 0.276 | C | S | . | . | trans | -131.6 | 81.9 | -171.8 | -66.7 | -86.8 | 0 | 0 | 0 | 110.7 | F1024 N1025 L1074 I1075 C1076 Q1080 L1081 H1082 | F1024-N1078 VanDerWaalsContact CA-OD1 3.31Å; F1024-N1078 WeakPolarHBondContact CA-OD1 3.35Å; N1025-N1078 PolarHBondContact N-OD1 3.25Å; N1025-N1078 PolarHBondContact O-ND2 3.31Å; N1025-N1078 VanDerWaalsContact O-ND2 3.1Å; L1074-N1078 WeakPolarHBondContact O-CB 3.36Å; L1074-N1078 PolarHBondContact O-N 3.01Å; L1074-N1078 PolarHBondContact O-ND2 3.08Å; I1075-N1078 CarbonylContact O-C 3.12Å; I1075-N1078 PolarHBondContact O-N 3.13Å; I1075-N1078 VanDerWaalsContact O-N 3.08Å; C1076-N1078 VanDerWaalsContact C-N 3.33Å; N1078-Q1080 PolarHBondContact O-N 3.16Å; N1078-Q1080 VanDerWaalsContact O-N 3.15Å; N1078-L1081 HydrophobicContact CB-CB 3.88Å; N1078-L1081 WeakPolarHBondContact O-CA 3.4Å; N1078-L1081 WeakPolarHBondContact O-CB 3.4Å; N1078-L1081 PolarHBondContact O-N 3.16Å; N1078-H1082 PolarHBondContact O-N 2.89Å | ||
| 1079 | P | 79 | Confident | 83 | Confident | 91 Ų | 91 | 58.7 Ų | 58.7 | 59% | 0.591 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -59.1 | -29.8 | -179.7 | 22.3 | -33.4 | 0 | 0 | 0 | 113 | L1081 H1082 E1083 | P1079-L1081 VanDerWaalsContact C-N 3.32Å; P1079-L1081 PolarHBondContact O-N 3.38Å; P1079-H1082 PolarHBondContact O-N 2.91Å; P1079-E1083 WeakPolarHBondContact O-CB 3.47Å; P1079-E1083 PolarHBondContact O-N 2.72Å |
| 1080 | Q | 77.3 | Confident | 83 | Confident | 119 Ų | 119 | 57.8 Ų | 57.8 | 56% | 0.556 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -65.9 | -32.8 | 172.5 | -64.8 | -179.9 | 23.5 | 0 | 0 | 112.6 | N1078 S1084 | N1078-Q1080 PolarHBondContact O-N 3.16Å; N1078-Q1080 VanDerWaalsContact O-N 3.15Å; Q1080-S1084 WeakPolarHBondContact O-CB 3.16Å; Q1080-S1084 PolarHBondContact O-N 3.25Å |
| 1081 | L | 82.5 | Confident | 83.1 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -74.5 | -41.3 | 173.2 | -178.6 | 143 | 0 | 0 | 0 | 110.5 | F1024 W1071 I1075 N1078 P1079 E1083 S1084 V1085 I1091 V1096 | F1024-L1081 HydrophobicContact CD1-CD1 4.41Å; F1024-L1081 HydrophobicContact CE1-CD1 3.72Å; W1071-L1081 HydrophobicContact CH2-CD1 4Å; W1071-L1081 HydrophobicContact CH2-CD2 3.78Å; W1071-L1081 HydrophobicContact CH2-CG 4.39Å; W1071-L1081 HydrophobicContact CZ2-CD2 4.03Å; W1071-L1081 HydrophobicContact CZ3-CD1 4.3Å; W1071-L1081 HydrophobicContact CZ3-CD2 4.41Å; I1075-L1081 HydrophobicContact CB-CD2 4.43Å; I1075-L1081 HydrophobicContact CG1-CD2 3.52Å; N1078-L1081 HydrophobicContact CB-CB 3.88Å; N1078-L1081 WeakPolarHBondContact O-CA 3.4Å; N1078-L1081 WeakPolarHBondContact O-CB 3.4Å; N1078-L1081 PolarHBondContact O-N 3.16Å; P1079-L1081 VanDerWaalsContact C-N 3.32Å; P1079-L1081 PolarHBondContact O-N 3.38Å; L1081-E1083 VanDerWaalsContact C-N 3.34Å; L1081-E1083 PolarHBondContact O-N 3.24Å; L1081-S1084 WeakPolarHBondContact CA-OG 3.36Å; L1081-S1084 PolarHBondContact O-N 3.35Å; L1081-S1084 VanDerWaalsContact O-N 3.16Å; L1081-S1084 PolarHBondContact O-OG 2.84Å; L1081-V1085 HydrophobicContact CD2-CG2 4.14Å; L1081-V1085 WeakPolarHBondContact O-CG2 3.16Å; L1081-V1085 PolarHBondContact O-N 3.28Å; L1081-I1091 HydrophobicContact CD1-CD1 4.41Å; L1081-I1091 HydrophobicContact CD1-CG2 4.39Å; L1081-I1091 HydrophobicContact CG-CD1 4.21Å; L1081-V1096 HydrophobicContact CD1-CG2 4.43Å |
| 1082 | H | 83.8 | Confident | 83.1 | Confident | 89 Ų | 89 | 60.2 Ų | 60.2 | 41% | 0.412 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -57.1 | -47 | 173.6 | -175.4 | -124.9 | 0 | 0 | 0 | 111.8 | I1075 N1078 P1079 S1084 V1085 L1086 | I1075-H1082 HydrophobicContact CG2-CB 3.93Å; N1078-H1082 PolarHBondContact O-N 2.89Å; P1079-H1082 PolarHBondContact O-N 2.91Å; H1082-S1084 PolarHBondContact O-N 3.1Å; H1082-V1085 PolarHBondContact O-N 3.03Å; H1082-L1086 WeakPolarHBondContact O-CG 3.29Å; H1082-L1086 PolarHBondContact O-N 2.79Å |
| 1083 | E | 84.1 | Confident | 83.1 | Confident | 127 Ų | 127 | 56.8 Ų | 56.8 | 59% | 0.593 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -57.4 | -47.9 | 172.6 | -171.9 | 179.6 | -172.7 | 0 | 0 | 111.1 | P1079 L1081 V1085 L1086 T1087 | P1079-E1083 WeakPolarHBondContact O-CB 3.47Å; P1079-E1083 PolarHBondContact O-N 2.72Å; L1081-E1083 VanDerWaalsContact C-N 3.34Å; L1081-E1083 PolarHBondContact O-N 3.24Å; E1083-V1085 VanDerWaalsContact C-N 3.3Å; E1083-V1085 PolarHBondContact O-N 3.37Å; E1083-L1086 PolarHBondContact O-N 2.88Å; E1083-L1086 VanDerWaalsContact O-N 3.12Å; E1083-T1087 HydrophobicContact CG-CG2 4.43Å; E1083-T1087 WeakPolarHBondContact O-CG2 3.17Å; E1083-T1087 PolarHBondContact O-N 2.93Å; E1083-T1087 PolarHBondContact O-OG1 2.99Å; E1083-T1087 VanDerWaalsContact O-OG1 3.07Å |
| 1084 | S | 84.1 | Confident | 83.1 | Confident | 11 Ų | 11 | 58 Ų | 58 | 8% | 0.077 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.7 | -34.1 | 177.8 | 77.3 | 0 | 0 | 0 | 0 | 113.8 | Q1080 L1081 H1082 T1087 Y1088 E1089 | Q1080-S1084 WeakPolarHBondContact O-CB 3.16Å; Q1080-S1084 PolarHBondContact O-N 3.25Å; L1081-S1084 WeakPolarHBondContact CA-OG 3.36Å; L1081-S1084 PolarHBondContact O-N 3.35Å; L1081-S1084 VanDerWaalsContact O-N 3.16Å; L1081-S1084 PolarHBondContact O-OG 2.84Å; H1082-S1084 PolarHBondContact O-N 3.1Å; S1084-T1087 PolarHBondContact O-OG1 3.4Å; S1084-Y1088 PolarHBondContact O-N 3.4Å; S1084-E1089 PolarHBondContact O-N 3.06Å |
| 1085 | V | 86.6 | Confident | 83 | Confident | 33 Ų | 33 | 59.1 Ų | 59.1 | 20% | 0.2 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -67.6 | -47.5 | 173.5 | 172.2 | 0 | 0 | 0 | 0 | 110.2 | W1071 L1081 H1082 E1083 T1087 Y1088 I1091 I1121 | W1071-V1085 HydrophobicContact CZ2-CG2 4.24Å; L1081-V1085 HydrophobicContact CD2-CG2 4.14Å; L1081-V1085 WeakPolarHBondContact O-CG2 3.16Å; L1081-V1085 PolarHBondContact O-N 3.28Å; H1082-V1085 PolarHBondContact O-N 3.03Å; E1083-V1085 VanDerWaalsContact C-N 3.3Å; E1083-V1085 PolarHBondContact O-N 3.37Å; V1085-T1087 VanDerWaalsContact C-N 3.35Å; V1085-T1087 PolarHBondContact O-N 2.88Å; V1085-Y1088 PolarHBondContact O-N 3.44Å; V1085-Y1088 VanDerWaalsContact O-N 3.17Å; V1085-I1091 HydrophobicContact CG2-CD1 3.6Å; V1085-I1121 HydrophobicContact CG1-CG1 4.31Å |
| 1086 | L | 84.9 | Confident | 83 | Confident | 114 Ų | 114 | 57.6 Ų | 57.6 | 60% | 0.597 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -65.7 | -34.1 | 179.9 | -69.3 | 174.7 | 0 | 0 | 0 | 113 | H1082 E1083 Y1088 | H1082-L1086 WeakPolarHBondContact O-CG 3.29Å; H1082-L1086 PolarHBondContact O-N 2.79Å; E1083-L1086 PolarHBondContact O-N 2.88Å; E1083-L1086 VanDerWaalsContact O-N 3.12Å; L1086-Y1088 VanDerWaalsContact C-N 3.3Å |
| 1087 | T | 85.4 | Confident | 83.3 | Confident | 88 Ų | 88 | 59.3 Ų | 59.3 | 54% | 0.54 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 1.8 | 175.9 | 61.5 | 0 | 0 | 0 | 0 | 113.6 | E1083 S1084 V1085 E1089 | E1083-T1087 HydrophobicContact CG-CG2 4.43Å; E1083-T1087 WeakPolarHBondContact O-CG2 3.17Å; E1083-T1087 PolarHBondContact O-N 2.93Å; E1083-T1087 PolarHBondContact O-OG1 2.99Å; E1083-T1087 VanDerWaalsContact O-OG1 3.07Å; S1084-T1087 PolarHBondContact O-OG1 3.4Å; V1085-T1087 VanDerWaalsContact C-N 3.35Å; V1085-T1087 PolarHBondContact O-N 2.88Å; T1087-E1089 PolarHBondContact O-N 3.05Å |
| 1088 | Y | 82.5 | Confident | 83.6 | Confident | 145 Ų | 145 | 63.3 Ų | 63.3 | 57% | 0.569 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 34.6 | -174.1 | -62.7 | -89.2 | 0 | 0 | 0 | 113.9 | S1084 V1085 L1086 I1122 | S1084-Y1088 PolarHBondContact O-N 3.4Å; V1085-Y1088 PolarHBondContact O-N 3.44Å; V1085-Y1088 VanDerWaalsContact O-N 3.17Å; L1086-Y1088 VanDerWaalsContact C-N 3.3Å; Y1088-I1122 HydrophobicContact CD1-CD1 4.39Å; Y1088-I1122 HydrophobicContact CD1-CG1 4.34Å |
| 1089 | E | 86 | Confident | 83.6 | Confident | 126 Ų | 126 | 63.9 Ų | 63.9 | 59% | 0.589 | 33% | 0.327 | S | S | * | . | trans | -73.2 | 134.4 | 173.1 | -168.1 | -179.8 | -178.1 | 0 | 0 | 109.9 | S1084 T1087 I1091 | S1084-E1089 PolarHBondContact O-N 3.06Å; T1087-E1089 PolarHBondContact O-N 3.05Å; E1089-I1091 PolarHBondContact O-N 2.89Å | ||
| 1090 | P | 82.3 | Confident | 83.7 | Confident | 54 Ų | 54 | 59.9 Ų | 59.9 | 35% | 0.351 | 30% | 0.3 | S | S | . | . | trans | -72.5 | 104.6 | -173.8 | 28.9 | -37.9 | 0 | 0 | 0 | 113.1 | I1122 R1124 | P1090-I1122 WeakPolarHBondContact CA-O 3.49Å; P1090-I1122 HydrophobicContact CB-CB 4.48Å; P1090-I1122 HydrophobicContact CB-CG2 3.81Å; P1090-R1124 HydrophobicContact CB-CG 3.74Å; P1090-R1124 HydrophobicContact CG-CG 4.36Å; P1090-R1124 VanDerWaalsContact O-CD 3.28Å; P1090-R1124 WeakPolarHBondContact O-CD 3.5Å; P1090-R1124 WeakPolarHBondContact O-CG 3.33Å | ||
| 1091 | I | 85.1 | Confident | 84.1 | Confident | 13 Ų | 13 | 58.4 Ų | 58.4 | 7% | 0.067 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 144.1 | -177.7 | -57.2 | 177.3 | 0 | 0 | 0 | 111.5 | W1071 L1081 V1085 E1089 L1093 V1096 I1121 I1122 F1123 R1124 | W1071-I1091 HydrophobicContact CH2-CD1 4.28Å; L1081-I1091 HydrophobicContact CD1-CD1 4.41Å; L1081-I1091 HydrophobicContact CD1-CG2 4.39Å; L1081-I1091 HydrophobicContact CG-CD1 4.21Å; V1085-I1091 HydrophobicContact CG2-CD1 3.6Å; E1089-I1091 PolarHBondContact O-N 2.89Å; I1091-L1093 PolarHBondContact O-N 2.65Å; I1091-V1096 HydrophobicContact CG2-CG2 3.87Å; I1091-I1121 HydrophobicContact CD1-CG2 3.93Å; I1091-I1122 PolarHBondContact N-O 2.68Å; I1091-F1123 CarbonylContact O-C 3.47Å; I1091-F1123 WeakPolarHBondContact O-CA 3.25Å; I1091-F1123 WeakPolarHBondContact O-CB 3.44Å; I1091-R1124 PolarHBondContact O-N 2.88Å |
| 1092 | D | 85.4 | Confident | 83.8 | Confident | 55 Ų | 55 | 65.6 Ų | 65.6 | 29% | 0.294 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 112.5 | 170.9 | -179.8 | 30.5 | 0 | 0 | 0 | 112.5 | Q1094 A1095 V1096 | D1092-Q1094 PolarHBondContact O-N 3.36Å; D1092-Q1094 WeakPolarHBondContact OD1-CB 3.41Å; D1092-Q1094 PolarHBondContact OD1-N 2.65Å; D1092-A1095 HydrophobicContact CB-CB 4.01Å; D1092-A1095 PolarHBondContact O-N 3.48Å; D1092-A1095 WeakPolarHBondContact OD2-CB 3.2Å; D1092-A1095 PolarHBondContact OD2-N 3.23Å; D1092-V1096 PolarHBondContact O-N 2.86Å |
| 1093 | L | 84.5 | Confident | 83.3 | Confident | 3 Ų | 3 | 65 Ų | 65 | 2% | 0.016 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59.5 | -33.3 | 174.7 | -169.8 | 77.5 | 0 | 0 | 0 | 112 | I1091 Y1097 L1112 K1113 F1116 F1123 R1124 Y1125 | I1091-L1093 PolarHBondContact O-N 2.65Å; L1093-Y1097 VanDerWaalsContact O-CB 3.23Å; L1093-Y1097 WeakPolarHBondContact O-CB 3.3Å; L1093-Y1097 PolarHBondContact O-N 2.91Å; L1093-L1112 HydrophobicContact CD1-CB 4.48Å; L1093-L1112 HydrophobicContact CD1-CD2 3.58Å; L1093-L1112 HydrophobicContact CD1-CG 3.71Å; L1093-L1112 HydrophobicContact CG-CD2 4.14Å; L1093-K1113 HydrophobicContact CD1-CG 4.46Å; L1093-K1113 HydrophobicContact CD2-CD 4.16Å; L1093-K1113 HydrophobicContact CD2-CG 3.65Å; L1093-F1116 HydrophobicContact CD1-CD2 3.6Å; L1093-F1116 HydrophobicContact CD1-CE2 3.51Å; L1093-F1123 HydrophobicContact CB-CB 4.44Å; L1093-F1123 HydrophobicContact CB-CD2 4.13Å; L1093-F1123 HydrophobicContact CD1-CD2 4.37Å; L1093-F1123 HydrophobicContact CD1-CG 4.42Å; L1093-F1123 HydrophobicContact CD2-CD2 4.23Å; L1093-F1123 HydrophobicContact CD2-CE2 4.32Å; L1093-F1123 HydrophobicContact CG-CD2 4.49Å; L1093-R1124 VanDerWaalsContact CB-O 3.32Å; L1093-R1124 WeakPolarHBondContact CB-O 3.21Å; L1093-R1124 PolarHBondContact N-O 3.36Å; L1093-Y1125 HydrophobicContact CD2-CD2 3.63Å; L1093-Y1125 HydrophobicContact CD2-CE2 3.87Å |
| 1094 | Q | 82.5 | Confident | 82.7 | Confident | 76 Ų | 76 | 59.9 Ų | 59.9 | 36% | 0.355 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -73.6 | -41.1 | -176.5 | -176.7 | 60.5 | 46 | 0 | 0 | 111.6 | D1092 Y1097 L1098 | D1092-Q1094 PolarHBondContact O-N 3.36Å; D1092-Q1094 WeakPolarHBondContact OD1-CB 3.41Å; D1092-Q1094 PolarHBondContact OD1-N 2.65Å; Q1094-Y1097 PolarHBondContact O-N 3Å; Q1094-L1098 HydrophobicContact CG-CD1 4.21Å; Q1094-L1098 WeakPolarHBondContact O-CB 3.49Å; Q1094-L1098 VanDerWaalsContact O-CG 3.26Å; Q1094-L1098 WeakPolarHBondContact O-CG 3.26Å; Q1094-L1098 PolarHBondContact O-N 2.68Å |
| 1095 | A | 83 | Confident | 82.4 | Confident | 32 Ų | 32 | 61.2 Ų | 61.2 | 26% | 0.264 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.3 | -49.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | F1024 D1092 Y1097 L1098 H1099 | F1024-A1095 HydrophobicContact CE2-CB 3.73Å; F1024-A1095 HydrophobicContact CZ-CB 4.01Å; D1092-A1095 HydrophobicContact CB-CB 4.01Å; D1092-A1095 PolarHBondContact O-N 3.48Å; D1092-A1095 WeakPolarHBondContact OD2-CB 3.2Å; D1092-A1095 PolarHBondContact OD2-N 3.23Å; A1095-Y1097 PolarHBondContact O-N 2.82Å; A1095-L1098 PolarHBondContact O-N 3.42Å; A1095-H1099 PolarHBondContact O-N 3.41Å |
| 1096 | V | 84.5 | Confident | 82.1 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58.1 | -47.7 | 175.9 | 171.7 | 0 | 0 | 0 | 0 | 111.4 | F1024 W1071 L1074 L1081 I1091 D1092 L1098 H1099 L1100 F1116 | F1024-V1096 HydrophobicContact CE1-CG2 4.12Å; F1024-V1096 HydrophobicContact CZ-CG2 3.77Å; W1071-V1096 HydrophobicContact CE3-CG1 4.31Å; W1071-V1096 HydrophobicContact CZ3-CG1 3.82Å; W1071-V1096 HydrophobicContact CZ3-CG2 4.14Å; L1074-V1096 HydrophobicContact CD2-CG1 3.94Å; L1081-V1096 HydrophobicContact CD1-CG2 4.43Å; I1091-V1096 HydrophobicContact CG2-CG2 3.87Å; D1092-V1096 PolarHBondContact O-N 2.86Å; V1096-L1098 VanDerWaalsContact C-N 3.31Å; V1096-L1098 PolarHBondContact O-N 2.9Å; V1096-H1099 PolarHBondContact O-N 2.78Å; V1096-L1100 HydrophobicContact CG1-CD1 3.85Å; V1096-L1100 HydrophobicContact CG1-CG 4.35Å; V1096-L1100 WeakPolarHBondContact O-CG 3.44Å; V1096-L1100 PolarHBondContact O-N 3.44Å; V1096-F1116 HydrophobicContact CG1-CZ 4.22Å |
| 1097 | Y | 84.9 | Confident | 82.1 | Confident | 52 Ų | 52 | 59.6 Ų | 59.6 | 20% | 0.204 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.7 | -37.6 | 179.2 | 175.9 | -102.2 | 0 | 0 | 0 | 112.8 | L1093 Q1094 A1095 K1101 Y1107 P1109 | L1093-Y1097 VanDerWaalsContact O-CB 3.23Å; L1093-Y1097 WeakPolarHBondContact O-CB 3.3Å; L1093-Y1097 PolarHBondContact O-N 2.91Å; Q1094-Y1097 PolarHBondContact O-N 3Å; A1095-Y1097 PolarHBondContact O-N 2.82Å; Y1097-K1101 HydrophobicContact CE1-CD 4.28Å; Y1097-K1101 WeakPolarHBondContact O-CB 3.48Å; Y1097-K1101 PolarHBondContact O-N 3.24Å; Y1097-K1101 VanDerWaalsContact O-N 3.15Å; Y1097-Y1107 WeakPolarHBondContact CE2-O 3.35Å; Y1097-P1109 HydrophobicContact CD2-CG 4.25Å; Y1097-P1109 HydrophobicContact CE2-CG 3.95Å |
| 1098 | L | 84.7 | Confident | 82 | Confident | 90 Ų | 90 | 57.8 Ų | 57.8 | 47% | 0.471 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -70.8 | -37.9 | 176.5 | -73.9 | 171.1 | 0 | 0 | 0 | 112.6 | Q1094 A1095 V1096 K1101 H1102 | Q1094-L1098 HydrophobicContact CG-CD1 4.21Å; Q1094-L1098 WeakPolarHBondContact O-CB 3.49Å; Q1094-L1098 VanDerWaalsContact O-CG 3.26Å; Q1094-L1098 WeakPolarHBondContact O-CG 3.26Å; Q1094-L1098 PolarHBondContact O-N 2.68Å; A1095-L1098 PolarHBondContact O-N 3.42Å; V1096-L1098 VanDerWaalsContact C-N 3.31Å; V1096-L1098 PolarHBondContact O-N 2.9Å; L1098-K1101 PolarHBondContact O-N 3.42Å; L1098-H1102 PolarHBondContact O-N 3.16Å |
| 1099 | H | 81.6 | Confident | 82.1 | Confident | 24 Ų | 24 | 52.8 Ų | 52.8 | 11% | 0.111 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -69.4 | -48.2 | 177.5 | 170.8 | 76.5 | 0 | 0 | 0 | 112 | F1024 D1026 L1074 A1095 V1096 K1101 H1102 M1103 | F1024-H1099 HydrophobicContact CB-CB 4.42Å; F1024-H1099 WeakPolarHBondContact CB-ND1 3.26Å; F1024-H1099 HydrophobicContact CD2-CB 3.54Å; F1024-H1099 AromaticContact CD2-CG 3.76Å; F1024-H1099 HydrophobicContact CE2-CB 4.02Å; F1024-H1099 HydrophobicContact CG-CB 4.14Å; F1024-H1099 AromaticContact CG-CG 3.86Å; D1026-H1099 IonicContact OD1-CE1 2.72Å; D1026-H1099 PolarHBondContact OD1-CE1 2.87Å; D1026-H1099 VanDerWaalsContact OD1-CE1 3.23Å; D1026-H1099 IonicContact OD1-ND1 3.73Å; L1074-H1099 WeakPolarHBondContact CD1-CD2 3.36Å; L1074-H1099 VanDerWaalsContact CD1-NE2 3.31Å; L1074-H1099 WeakPolarHBondContact CD1-NE2 3.4Å; A1095-H1099 PolarHBondContact O-N 3.41Å; V1096-H1099 PolarHBondContact O-N 2.78Å; H1099-K1101 PolarHBondContact O-N 3.47Å; H1099-H1102 WeakPolarHBondContact O-CA 3.48Å; H1099-H1102 VanDerWaalsContact O-CB 3.26Å; H1099-H1102 WeakPolarHBondContact O-CB 3.47Å; H1099-H1102 PolarHBondContact O-N 3.47Å; H1099-M1103 PolarHBondContact O-N 3.35Å |
| 1100 | L | 83 | Confident | 82 | Confident | 6 Ų | 6 | 53.6 Ų | 53.6 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -55.1 | -42.4 | 172.9 | -69.4 | 171.3 | 0 | 0 | 0 | 111.2 | L1067 A1070 L1074 V1096 H1102 M1103 G1104 H1105 Y1107 | L1067-L1100 HydrophobicContact CD1-CD1 4.44Å; A1070-L1100 HydrophobicContact CB-CD2 4.17Å; L1074-L1100 HydrophobicContact CD2-CD2 4.42Å; V1096-L1100 HydrophobicContact CG1-CD1 3.85Å; V1096-L1100 HydrophobicContact CG1-CG 4.35Å; V1096-L1100 WeakPolarHBondContact O-CG 3.44Å; V1096-L1100 PolarHBondContact O-N 3.44Å; L1100-H1102 VanDerWaalsContact C-N 3.29Å; L1100-H1102 PolarHBondContact O-N 3.47Å; L1100-M1103 CarbonylContact O-C 3.19Å; L1100-M1103 WeakPolarHBondContact O-CB 3.46Å; L1100-M1103 PolarHBondContact O-N 2.93Å; L1100-G1104 PolarHBondContact O-N 3.28Å; L1100-H1105 CarbonylContact C-O 3.37Å; L1100-H1105 HydrophobicContact CB-CB 4.46Å; L1100-H1105 CarbonylContact O-C 3.31Å; L1100-H1105 WeakPolarHBondContact O-CA 3.47Å; L1100-H1105 WeakPolarHBondContact O-CB 3.27Å; L1100-H1105 PolarHBondContact O-N 3.12Å; L1100-Y1107 HydrophobicContact CD1-CD2 4.12Å; L1100-Y1107 HydrophobicContact CD1-CE2 4.17Å |
| 1101 | K | 83.7 | Confident | 82.1 | Confident | 88 Ų | 88 | 53.7 Ų | 53.7 | 38% | 0.383 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -66.4 | -25.9 | 175.5 | -180 | -179.7 | 173.4 | -174.9 | 0 | 113.8 | Y1097 L1098 H1099 G1104 H1105 | Y1097-K1101 HydrophobicContact CE1-CD 4.28Å; Y1097-K1101 WeakPolarHBondContact O-CB 3.48Å; Y1097-K1101 PolarHBondContact O-N 3.24Å; Y1097-K1101 VanDerWaalsContact O-N 3.15Å; L1098-K1101 PolarHBondContact O-N 3.42Å; H1099-K1101 PolarHBondContact O-N 3.47Å; K1101-G1104 PolarHBondContact O-N 2.99Å; K1101-H1105 WeakPolarHBondContact CA-O 3.3Å; K1101-H1105 PolarHBondContact N-O 2.92Å |
| 1102 | H | 78 | Confident | 82.1 | Confident | 152 Ų | 152 | 53.1 Ų | 53.1 | 70% | 0.704 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -71.2 | -44.2 | 171.8 | -168.9 | 62.8 | 0 | 0 | 0 | 110.5 | L1098 H1099 L1100 G1104 | L1098-H1102 PolarHBondContact O-N 3.16Å; H1099-H1102 WeakPolarHBondContact O-CA 3.48Å; H1099-H1102 VanDerWaalsContact O-CB 3.26Å; H1099-H1102 WeakPolarHBondContact O-CB 3.47Å; H1099-H1102 PolarHBondContact O-N 3.47Å; L1100-H1102 VanDerWaalsContact C-N 3.29Å; L1100-H1102 PolarHBondContact O-N 3.47Å; H1102-G1104 PolarHBondContact O-N 2.79Å |
| 1103 | M | 71.6 | Confident | 82.1 | Confident | 76 Ų | 76 | 52.7 Ų | 52.7 | 37% | 0.374 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | 14.8 | 170.3 | -60.5 | -61.1 | -90.1 | 0 | 0 | 114.1 | D1026 H1099 L1100 H1105 | D1026-M1103 HydrophobicContact CB-CE 3.92Å; D1026-M1103 HydrophobicContact CB-SD 4.3Å; D1026-M1103 VanDerWaalsContact OD1-SD 3.33Å; H1099-M1103 PolarHBondContact O-N 3.35Å; L1100-M1103 CarbonylContact O-C 3.19Å; L1100-M1103 WeakPolarHBondContact O-CB 3.46Å; L1100-M1103 PolarHBondContact O-N 2.93Å; M1103-H1105 PolarHBondContact O-CE1 3.46Å; M1103-H1105 PolarHBondContact O-N 3.36Å; M1103-H1105 PolarHBondContact O-ND1 3.26Å |
| 1104 | G | 71.8 | Confident | 82.2 | Confident | 20 Ų | 20 | 55.6 Ų | 55.6 | 21% | 0.206 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.8 | -12.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | L1100 K1101 H1102 R1106 | L1100-G1104 PolarHBondContact O-N 3.28Å; K1101-G1104 PolarHBondContact O-N 2.99Å; H1102-G1104 PolarHBondContact O-N 2.79Å; G1104-R1106 PolarHBondContact O-N 3.24Å |
| 1105 | H | 79.3 | Confident | 82.3 | Confident | 39 Ų | 39 | 52.8 Ų | 52.8 | 18% | 0.181 | 26% | 0.261 | C | S | . | . | trans | -79 | 118.2 | -175.5 | -60.3 | 8.9 | 0 | 0 | 0 | 111.1 | Q1053 L1100 K1101 M1103 Y1107 | Q1053-H1105 PolarHBondContact NE2-ND1 2.79Å; L1100-H1105 CarbonylContact C-O 3.37Å; L1100-H1105 HydrophobicContact CB-CB 4.46Å; L1100-H1105 CarbonylContact O-C 3.31Å; L1100-H1105 WeakPolarHBondContact O-CA 3.47Å; L1100-H1105 WeakPolarHBondContact O-CB 3.27Å; L1100-H1105 PolarHBondContact O-N 3.12Å; K1101-H1105 WeakPolarHBondContact CA-O 3.3Å; K1101-H1105 PolarHBondContact N-O 2.92Å; M1103-H1105 PolarHBondContact O-CE1 3.46Å; M1103-H1105 PolarHBondContact O-N 3.36Å; M1103-H1105 PolarHBondContact O-ND1 3.26Å; H1105-Y1107 HydrophobicContact CB-CE2 3.76Å | ||
| 1106 | R | 79.9 | Confident | 82.5 | Confident | 109 Ų | 109 | 51.2 Ų | 51.2 | 41% | 0.411 | 25% | 0.248 | S | C | . | . | trans | -116.3 | 125.3 | -177.4 | -65.2 | -178.5 | -178.6 | -152.9 | 0.3 | 110.4 | Q1053 T1054 G1104 | Q1053-R1106 CarbonylContact C-O 3.43Å; Q1053-R1106 VanDerWaalsContact C-O 3.31Å; Q1053-R1106 WeakPolarHBondContact CA-O 3.28Å; Q1053-R1106 VanDerWaalsContact CB-O 3.25Å; Q1053-R1106 WeakPolarHBondContact CB-O 3.45Å; T1054-R1106 PolarHBondContact N-O 3.39Å; T1054-R1106 WeakPolarHBondContact O-CB 3.41Å; G1104-R1106 PolarHBondContact O-N 3.24Å | ||
| 1107 | Y | 83.8 | Confident | 82.7 | Confident | 3 Ų | 3 | 56.1 Ų | 56.1 | 1% | 0.012 | 27% | 0.274 | C | S | . | . | trans | -124.1 | 164.4 | 176.2 | -55.1 | -76.4 | 0 | 0 | 0 | 110.2 | V1051 Q1053 V1065 L1067 A1070 Y1097 L1100 H1105 | V1051-Y1107 HydrophobicContact CG1-CD1 4.09Å; Q1053-Y1107 HydrophobicContact CB-CE1 4.38Å; Q1053-Y1107 HydrophobicContact CG-CD1 4.21Å; Q1053-Y1107 HydrophobicContact CG-CE1 3.52Å; V1065-Y1107 PolarHBondContact O-OH 3.32Å; L1067-Y1107 HydrophobicContact CB-CD1 4.02Å; L1067-Y1107 HydrophobicContact CB-CE1 3.84Å; L1067-Y1107 HydrophobicContact CD1-CD1 4.31Å; L1067-Y1107 HydrophobicContact CD1-CD2 3.81Å; L1067-Y1107 HydrophobicContact CD1-CE1 4.37Å; L1067-Y1107 HydrophobicContact CD1-CE2 3.88Å; L1067-Y1107 HydrophobicContact CD1-CG 4.04Å; A1070-Y1107 HydrophobicContact CB-CE2 4.27Å; A1070-Y1107 VanDerWaalsContact CB-OH 3.25Å; A1070-Y1107 WeakPolarHBondContact CB-OH 3.32Å; Y1097-Y1107 WeakPolarHBondContact CE2-O 3.35Å; L1100-Y1107 HydrophobicContact CD1-CD2 4.12Å; L1100-Y1107 HydrophobicContact CD1-CE2 4.17Å; H1105-Y1107 HydrophobicContact CB-CE2 3.76Å | ||
| 1108 | D | 83.9 | Confident | 82.6 | Confident | 50 Ų | 50 | 60.8 Ų | 60.8 | 27% | 0.267 | 29% | 0.292 | S | S | . | . | trans | -75 | 130.4 | 167.1 | -168.2 | -40.7 | 0 | 0 | 0 | 108.9 | T1054 K1110 D1111 L1112 | T1054-D1108 HydrophobicContact CG2-CB 4.23Å; D1108-K1110 PolarHBondContact O-N 3.18Å; D1108-K1110 VanDerWaalsContact O-N 3.09Å; D1108-K1110 WeakPolarHBondContact OD1-CB 3.41Å; D1108-K1110 VanDerWaalsContact OD1-CG 3.31Å; D1108-K1110 WeakPolarHBondContact OD1-CG 3.23Å; D1108-K1110 PolarHBondContact OD1-N 2.81Å; D1108-K1110 IonicContact OD2-NZ 3.99Å; D1108-D1111 HydrophobicContact CB-CB 4.38Å; D1108-D1111 WeakPolarHBondContact CB-OD2 3.27Å; D1108-D1111 PolarHBondContact O-N 3.04Å; D1108-L1112 PolarHBondContact O-N 3.48Å; D1108-L1112 VanDerWaalsContact O-N 3.07Å | ||
| 1109 | P | 83.5 | Confident | 82.4 | Confident | 41 Ų | 41 | 61.7 Ų | 61.7 | 27% | 0.266 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -55.4 | -18.8 | 171.4 | -27.8 | 36.4 | 0 | 0 | 0 | 115.3 | Y1097 K1113 | Y1097-P1109 HydrophobicContact CD2-CG 4.25Å; Y1097-P1109 HydrophobicContact CE2-CG 3.95Å; P1109-K1113 VanDerWaalsContact O-CG 3.23Å; P1109-K1113 WeakPolarHBondContact O-CG 3.38Å; P1109-K1113 PolarHBondContact O-N 2.91Å |
| 1110 | K | 84.5 | Confident | 82.5 | Confident | 142 Ų | 142 | 64.6 Ų | 64.6 | 62% | 0.617 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -72.3 | -42.6 | 170 | -63.7 | 168.2 | -170.1 | 156.3 | 0 | 112.2 | D1108 K1113 T1114 | D1108-K1110 PolarHBondContact O-N 3.18Å; D1108-K1110 VanDerWaalsContact O-N 3.09Å; D1108-K1110 WeakPolarHBondContact OD1-CB 3.41Å; D1108-K1110 VanDerWaalsContact OD1-CG 3.31Å; D1108-K1110 WeakPolarHBondContact OD1-CG 3.23Å; D1108-K1110 PolarHBondContact OD1-N 2.81Å; D1108-K1110 IonicContact OD2-NZ 3.99Å; K1110-K1113 PolarHBondContact O-N 2.99Å; K1110-T1114 WeakPolarHBondContact O-CB 3.45Å; K1110-T1114 PolarHBondContact O-N 3.41Å; K1110-T1114 PolarHBondContact O-OG1 2.92Å |
| 1111 | D | 85.2 | Confident | 82.7 | Confident | 57 Ų | 57 | 64.9 Ų | 64.9 | 31% | 0.305 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -71.8 | -39.7 | -177.4 | -58.1 | -20.2 | 0 | 0 | 0 | 109.7 | V1051 D1108 K1113 T1114 F1115 | V1051-D1111 HydrophobicContact CB-CB 4.41Å; V1051-D1111 HydrophobicContact CG1-CB 3.54Å; V1051-D1111 HydrophobicContact CG2-CB 3.92Å; D1108-D1111 HydrophobicContact CB-CB 4.38Å; D1108-D1111 WeakPolarHBondContact CB-OD2 3.27Å; D1108-D1111 PolarHBondContact O-N 3.04Å; D1111-K1113 VanDerWaalsContact C-N 3.33Å; D1111-K1113 PolarHBondContact O-N 3.37Å; D1111-T1114 PolarHBondContact O-N 3.16Å; D1111-F1115 VanDerWaalsContact O-CB 3.28Å; D1111-F1115 WeakPolarHBondContact O-CB 3.26Å; D1111-F1115 PolarHBondContact O-N 3.42Å |
| 1112 | L | 85.1 | Confident | 82.8 | Confident | 1 Ų | 1 | 64.7 Ų | 64.7 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.9 | -42.1 | 173.2 | -171.8 | 65.1 | 0 | 0 | 0 | 112.1 | L1067 L1093 D1108 F1116 | L1067-L1112 HydrophobicContact CD1-CD1 3.71Å; L1067-L1112 HydrophobicContact CD2-CD1 4.06Å; L1067-L1112 HydrophobicContact CG-CD1 4.47Å; L1093-L1112 HydrophobicContact CD1-CB 4.48Å; L1093-L1112 HydrophobicContact CD1-CD2 3.58Å; L1093-L1112 HydrophobicContact CD1-CG 3.71Å; L1093-L1112 HydrophobicContact CG-CD2 4.14Å; D1108-L1112 PolarHBondContact O-N 3.48Å; D1108-L1112 VanDerWaalsContact O-N 3.07Å; L1112-F1116 HydrophobicContact CD1-CE1 3.85Å; L1112-F1116 HydrophobicContact CD1-CE2 4.28Å; L1112-F1116 HydrophobicContact CD1-CZ 3.69Å; L1112-F1116 HydrophobicContact CG-CE2 4.2Å; L1112-F1116 HydrophobicContact CG-CZ 4.11Å; L1112-F1116 WeakPolarHBondContact O-CG 3.48Å; L1112-F1116 PolarHBondContact O-N 3.14Å |
| 1113 | K | 85.1 | Confident | 83.2 | Confident | 46 Ų | 46 | 59.8 Ų | 59.8 | 20% | 0.2 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.4 | -52.2 | 172.4 | -73.7 | 175.3 | 177.6 | -165.8 | 0 | 111.9 | L1093 P1109 K1110 D1111 F1115 F1116 D1117 F1123 Y1125 | L1093-K1113 HydrophobicContact CD1-CG 4.46Å; L1093-K1113 HydrophobicContact CD2-CD 4.16Å; L1093-K1113 HydrophobicContact CD2-CG 3.65Å; P1109-K1113 VanDerWaalsContact O-CG 3.23Å; P1109-K1113 WeakPolarHBondContact O-CG 3.38Å; P1109-K1113 PolarHBondContact O-N 2.91Å; K1110-K1113 PolarHBondContact O-N 2.99Å; D1111-K1113 VanDerWaalsContact C-N 3.33Å; D1111-K1113 PolarHBondContact O-N 3.37Å; K1113-F1115 PolarHBondContact O-N 3.04Å; K1113-F1115 VanDerWaalsContact O-N 3.16Å; K1113-F1116 CarbonylContact O-C 3.45Å; K1113-F1116 PolarHBondContact O-N 3.36Å; K1113-D1117 WeakPolarHBondContact O-CB 3.2Å; K1113-D1117 VanDerWaalsContact O-CG 3.24Å; K1113-D1117 PolarHBondContact O-N 3.08Å; K1113-D1117 VanDerWaalsContact O-OD2 3.13Å; K1113-F1123 HydrophobicContact CB-CZ 4.06Å; K1113-F1123 HydrophobicContact CD-CE2 4.27Å; K1113-F1123 HydrophobicContact CD-CZ 4.3Å; K1113-F1123 HydrophobicContact CG-CE2 3.87Å; K1113-F1123 HydrophobicContact CG-CZ 3.71Å; K1113-Y1125 VanDerWaalsContact CE-CE2 3.47Å; K1113-Y1125 VanDerWaalsContact NZ-CD1 3.32Å; K1113-Y1125 VanDerWaalsContact NZ-CE2 3.29Å |
| 1114 | T | 85.7 | Confident | 83.9 | Confident | 64 Ų | 64 | 60.8 Ų | 60.8 | 39% | 0.393 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -57.3 | -34.2 | -179.6 | -52.9 | 0 | 0 | 0 | 0 | 111.6 | K1110 D1111 R1118 | K1110-T1114 WeakPolarHBondContact O-CB 3.45Å; K1110-T1114 PolarHBondContact O-N 3.41Å; K1110-T1114 PolarHBondContact O-OG1 2.92Å; D1111-T1114 PolarHBondContact O-N 3.16Å; T1114-R1118 WeakPolarHBondContact O-CB 3.33Å; T1114-R1118 WeakPolarHBondContact O-CD 3.44Å; T1114-R1118 WeakPolarHBondContact O-CG 3.23Å; T1114-R1118 PolarHBondContact O-N 2.95Å |
| 1115 | F | 85.6 | Confident | 84.1 | Confident | 16 Ų | 16 | 65.1 Ų | 65.1 | 7% | 0.07 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -71.2 | -43.3 | 174.5 | 178.6 | -102.7 | 0 | 0 | 0 | 112.6 | L1067 H1068 W1071 D1111 K1113 R1118 R1119 | L1067-F1115 HydrophobicContact CD2-CB 3.75Å; L1067-F1115 HydrophobicContact CD2-CD1 3.88Å; L1067-F1115 HydrophobicContact CD2-CD2 4.43Å; L1067-F1115 HydrophobicContact CD2-CG 3.76Å; L1067-F1115 HydrophobicContact CG-CD1 4.08Å; L1067-F1115 HydrophobicContact CG-CE1 4.38Å; L1067-F1115 HydrophobicContact CG-CG 4.27Å; H1068-F1115 HydrophobicContact CB-CE2 3.9Å; H1068-F1115 HydrophobicContact CB-CZ 4.02Å; W1071-F1115 HydrophobicContact CB-CE1 3.81Å; W1071-F1115 HydrophobicContact CB-CZ 4.24Å; W1071-F1115 AromaticContact CD1-CE1 3.5Å; W1071-F1115 VanDerWaalsContact CD1-CE1 3.5Å; W1071-F1115 AromaticContact CD1-CZ 3.9Å; W1071-F1115 HydrophobicContact CD2-CE1 4.4Å; W1071-F1115 AromaticContact CG-CE1 3.61Å; W1071-F1115 HydrophobicContact CG-CE1 3.61Å; W1071-F1115 HydrophobicContact CG-CZ 4.25Å; D1111-F1115 VanDerWaalsContact O-CB 3.28Å; D1111-F1115 WeakPolarHBondContact O-CB 3.26Å; D1111-F1115 PolarHBondContact O-N 3.42Å; K1113-F1115 PolarHBondContact O-N 3.04Å; K1113-F1115 VanDerWaalsContact O-N 3.16Å; F1115-R1118 PolarHBondContact O-N 3.05Å; F1115-R1119 HydrophobicContact CE2-CG 4.41Å; F1115-R1119 HydrophobicContact CZ-CG 4.3Å; F1115-R1119 WeakPolarHBondContact O-CG 3.4Å; F1115-R1119 PolarHBondContact O-N 2.75Å; F1115-R1119 VanDerWaalsContact O-N 3.08Å |
| 1116 | F | 87.3 | Confident | 83.1 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -68.5 | -42.9 | 175.6 | -71.1 | -3 | 0 | 0 | 0 | 113.1 | W1071 L1093 V1096 L1112 K1113 R1118 R1119 C1120 I1121 F1123 | W1071-F1116 AromaticContact CD2-CE1 3.68Å; W1071-F1116 HydrophobicContact CD2-CE1 3.68Å; W1071-F1116 HydrophobicContact CD2-CZ 4.18Å; W1071-F1116 AromaticContact CE2-CE1 3.73Å; W1071-F1116 AromaticContact CE3-CE1 3.68Å; W1071-F1116 HydrophobicContact CE3-CE1 3.68Å; W1071-F1116 AromaticContact CE3-CZ 3.71Å; W1071-F1116 HydrophobicContact CE3-CZ 3.71Å; W1071-F1116 HydrophobicContact CG-CE1 4.42Å; W1071-F1116 AromaticContact CH2-CE1 3.84Å; W1071-F1116 HydrophobicContact CH2-CE1 3.84Å; W1071-F1116 HydrophobicContact CH2-CE2 4.39Å; W1071-F1116 AromaticContact CH2-CZ 3.58Å; W1071-F1116 HydrophobicContact CH2-CZ 3.58Å; W1071-F1116 AromaticContact CZ2-CE1 3.83Å; W1071-F1116 HydrophobicContact CZ2-CE1 3.83Å; W1071-F1116 HydrophobicContact CZ2-CZ 4.05Å; W1071-F1116 AromaticContact CZ3-CE1 3.78Å; W1071-F1116 HydrophobicContact CZ3-CE1 3.78Å; W1071-F1116 HydrophobicContact CZ3-CE2 4.45Å; W1071-F1116 AromaticContact CZ3-CZ 3.4Å; W1071-F1116 HydrophobicContact CZ3-CZ 3.4Å; L1093-F1116 HydrophobicContact CD1-CD2 3.6Å; L1093-F1116 HydrophobicContact CD1-CE2 3.51Å; V1096-F1116 HydrophobicContact CG1-CZ 4.22Å; L1112-F1116 HydrophobicContact CD1-CE1 3.85Å; L1112-F1116 HydrophobicContact CD1-CE2 4.28Å; L1112-F1116 HydrophobicContact CD1-CZ 3.69Å; L1112-F1116 HydrophobicContact CG-CE2 4.2Å; L1112-F1116 HydrophobicContact CG-CZ 4.11Å; L1112-F1116 WeakPolarHBondContact O-CG 3.48Å; L1112-F1116 PolarHBondContact O-N 3.14Å; K1113-F1116 CarbonylContact O-C 3.45Å; K1113-F1116 PolarHBondContact O-N 3.36Å; F1116-R1118 VanDerWaalsContact C-N 3.26Å; F1116-R1118 PolarHBondContact O-N 3.17Å; F1116-R1119 CarbonylContact O-C 3.08Å; F1116-R1119 PolarHBondContact O-N 2.88Å; F1116-R1119 VanDerWaalsContact O-N 3.14Å; F1116-C1120 PolarHBondContact O-N 3.02Å; F1116-I1121 HydrophobicContact CB-CB 4.05Å; F1116-I1121 HydrophobicContact CD1-CD1 3.9Å; F1116-I1121 HydrophobicContact CD2-CG2 4.45Å; F1116-I1121 HydrophobicContact CE1-CD1 4.4Å; F1116-I1121 HydrophobicContact CG-CB 4.28Å; F1116-I1121 HydrophobicContact CG-CD1 4.46Å; F1116-I1121 HydrophobicContact CG-CG2 4.32Å; F1116-I1121 PolarHBondContact O-N 3.03Å; F1116-F1123 HydrophobicContact CB-CD1 3.77Å; F1116-F1123 HydrophobicContact CB-CE1 3.98Å; F1116-F1123 HydrophobicContact CD2-CB 4.27Å; F1116-F1123 AromaticContact CD2-CD1 3.93Å; F1116-F1123 HydrophobicContact CD2-CD1 3.93Å; F1116-F1123 HydrophobicContact CD2-CG 4.26Å; F1116-F1123 HydrophobicContact CG-CD1 4.38Å |
| 1117 | D | 87.8 | Confident | 81.6 | Confident | 103 Ų | 103 | 69.9 Ų | 69.9 | 55% | 0.551 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -56.2 | -41.9 | 174.7 | -68 | -39.1 | 0 | 0 | 0 | 110.7 | K1113 C1120 F1123 | K1113-D1117 WeakPolarHBondContact O-CB 3.2Å; K1113-D1117 VanDerWaalsContact O-CG 3.24Å; K1113-D1117 PolarHBondContact O-N 3.08Å; K1113-D1117 VanDerWaalsContact O-OD2 3.13Å; D1117-C1120 PolarHBondContact O-N 3.04Å; D1117-F1123 WeakPolarHBondContact OD1-CE1 3.44Å |
| 1118 | R | 83.3 | Confident | 79.4 | Confident | 150 Ų | 150 | 72.4 Ų | 72.4 | 57% | 0.566 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -70.2 | -34.3 | 176 | -76 | 172.6 | -177.7 | -159.9 | 8.3 | 114.4 | T1049 T1114 F1115 F1116 C1120 | T1049-R1118 PolarHBondContact OG1-NH1 3.31Å; T1049-R1118 PolarHBondContact OG1-NH2 3.43Å; T1114-R1118 WeakPolarHBondContact O-CB 3.33Å; T1114-R1118 WeakPolarHBondContact O-CD 3.44Å; T1114-R1118 WeakPolarHBondContact O-CG 3.23Å; T1114-R1118 PolarHBondContact O-N 2.95Å; F1115-R1118 PolarHBondContact O-N 3.05Å; F1116-R1118 VanDerWaalsContact C-N 3.26Å; F1116-R1118 PolarHBondContact O-N 3.17Å; R1118-C1120 PolarHBondContact O-N 3.41Å |
| 1119 | R | 81.6 | Confident | 77 | Confident | 108 Ų | 108 | 74.3 Ų | 74.3 | 41% | 0.408 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 7.6 | 175.8 | -67.1 | -70.2 | -164.2 | 169.6 | 7.5 | 112.3 | E1048 F1115 F1116 I1121 | E1048-R1119 IonicContact OE1-CZ 2.69Å; E1048-R1119 IonicContact OE1-NH2 2.65Å; E1048-R1119 PolarHBondContact OE1-NH2 3.43Å; E1048-R1119 IonicContact OE2-CZ 2.96Å; E1048-R1119 IonicContact OE2-NE 3.84Å; E1048-R1119 IonicContact OE2-NH2 3.62Å; E1048-R1119 PolarHBondContact OE2-NH2 3.12Å; F1115-R1119 HydrophobicContact CE2-CG 4.41Å; F1115-R1119 HydrophobicContact CZ-CG 4.3Å; F1115-R1119 WeakPolarHBondContact O-CG 3.4Å; F1115-R1119 PolarHBondContact O-N 2.75Å; F1115-R1119 VanDerWaalsContact O-N 3.08Å; F1116-R1119 CarbonylContact O-C 3.08Å; F1116-R1119 PolarHBondContact O-N 2.88Å; F1116-R1119 VanDerWaalsContact O-N 3.14Å; R1119-I1121 HydrophobicContact CB-CD1 3.61Å; R1119-I1121 HydrophobicContact CB-CG1 3.85Å; R1119-I1121 HydrophobicContact CG-CD1 4.43Å; R1119-I1121 PolarHBondContact O-N 3.37Å |
| 1120 | C | 83.3 | Confident | 74.8 | Confident | 85 Ų | 85 | 79 Ų | 79 | 57% | 0.574 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 25.8 | -176 | -61.4 | 0 | 0 | 0 | 0 | 114.6 | F1116 D1117 R1118 | F1116-C1120 PolarHBondContact O-N 3.02Å; D1117-C1120 PolarHBondContact O-N 3.04Å; R1118-C1120 PolarHBondContact O-N 3.41Å |
| 1121 | I | 87.3 | Confident | 72.8 | Confident | 13 Ų | 13 | 74.8 Ų | 74.8 | 7% | 0.067 | 41% | 0.41 | C | S | . | . | trans | -82.3 | 118.3 | -178.1 | -61.8 | 165.2 | 0 | 0 | 0 | 108.9 | W1071 V1085 I1091 F1116 R1119 F1123 | W1071-I1121 HydrophobicContact CZ2-CD1 3.73Å; V1085-I1121 HydrophobicContact CG1-CG1 4.31Å; I1091-I1121 HydrophobicContact CD1-CG2 3.93Å; F1116-I1121 HydrophobicContact CB-CB 4.05Å; F1116-I1121 HydrophobicContact CD1-CD1 3.9Å; F1116-I1121 HydrophobicContact CD2-CG2 4.45Å; F1116-I1121 HydrophobicContact CE1-CD1 4.4Å; F1116-I1121 HydrophobicContact CG-CB 4.28Å; F1116-I1121 HydrophobicContact CG-CD1 4.46Å; F1116-I1121 HydrophobicContact CG-CG2 4.32Å; F1116-I1121 PolarHBondContact O-N 3.03Å; R1119-I1121 HydrophobicContact CB-CD1 3.61Å; R1119-I1121 HydrophobicContact CB-CG1 3.85Å; R1119-I1121 HydrophobicContact CG-CD1 4.43Å; R1119-I1121 PolarHBondContact O-N 3.37Å; I1121-F1123 WeakPolarHBondContact O-CD1 3.2Å | ||
| 1122 | I | 85.6 | Confident | 70.8 | Confident | 84 Ų | 84 | 82.2 Ų | 82.2 | 43% | 0.431 | 44% | 0.439 | S | S | . | . | trans | -75.7 | 129.5 | 178.2 | -48.5 | -171 | 0 | 0 | 0 | 109.4 | Y1088 P1090 I1091 | Y1088-I1122 HydrophobicContact CD1-CD1 4.39Å; Y1088-I1122 HydrophobicContact CD1-CG1 4.34Å; P1090-I1122 WeakPolarHBondContact CA-O 3.49Å; P1090-I1122 HydrophobicContact CB-CB 4.48Å; P1090-I1122 HydrophobicContact CB-CG2 3.81Å; I1091-I1122 PolarHBondContact N-O 2.68Å | ||
| 1123 | F | 86.5 | Confident | 68.6 | Low | 48 Ų | 48 | 91.9 Ų | 91.9 | 21% | 0.211 | 49% | 0.485 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 156.3 | 178.5 | 63.7 | -93.2 | 0 | 0 | 0 | 114 | I1091 L1093 K1113 F1116 D1117 I1121 | I1091-F1123 CarbonylContact O-C 3.47Å; I1091-F1123 WeakPolarHBondContact O-CA 3.25Å; I1091-F1123 WeakPolarHBondContact O-CB 3.44Å; L1093-F1123 HydrophobicContact CB-CB 4.44Å; L1093-F1123 HydrophobicContact CB-CD2 4.13Å; L1093-F1123 HydrophobicContact CD1-CD2 4.37Å; L1093-F1123 HydrophobicContact CD1-CG 4.42Å; L1093-F1123 HydrophobicContact CD2-CD2 4.23Å; L1093-F1123 HydrophobicContact CD2-CE2 4.32Å; L1093-F1123 HydrophobicContact CG-CD2 4.49Å; K1113-F1123 HydrophobicContact CB-CZ 4.06Å; K1113-F1123 HydrophobicContact CD-CE2 4.27Å; K1113-F1123 HydrophobicContact CD-CZ 4.3Å; K1113-F1123 HydrophobicContact CG-CE2 3.87Å; K1113-F1123 HydrophobicContact CG-CZ 3.71Å; F1116-F1123 HydrophobicContact CB-CD1 3.77Å; F1116-F1123 HydrophobicContact CB-CE1 3.98Å; F1116-F1123 HydrophobicContact CD2-CB 4.27Å; F1116-F1123 AromaticContact CD2-CD1 3.93Å; F1116-F1123 HydrophobicContact CD2-CD1 3.93Å; F1116-F1123 HydrophobicContact CD2-CG 4.26Å; F1116-F1123 HydrophobicContact CG-CD1 4.38Å; D1117-F1123 WeakPolarHBondContact OD1-CE1 3.44Å; I1121-F1123 WeakPolarHBondContact O-CD1 3.2Å |
| 1124 | R | 85.6 | Confident | 66.2 | Low | 98 Ų | 98 | 94.8 Ų | 94.8 | 37% | 0.37 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 148.4 | 173.8 | -50 | -176.1 | 78.5 | 143.7 | 7 | 109.2 | Y946 P1090 I1091 L1093 | Y946-R1124 PolarHBondContact OH-NH2 3.03Å; Y946-R1124 VanDerWaalsContact OH-NH2 3.1Å; P1090-R1124 HydrophobicContact CB-CG 3.74Å; P1090-R1124 HydrophobicContact CG-CG 4.36Å; P1090-R1124 VanDerWaalsContact O-CD 3.28Å; P1090-R1124 WeakPolarHBondContact O-CD 3.5Å; P1090-R1124 WeakPolarHBondContact O-CG 3.33Å; I1091-R1124 PolarHBondContact O-N 2.88Å; L1093-R1124 VanDerWaalsContact CB-O 3.32Å; L1093-R1124 WeakPolarHBondContact CB-O 3.21Å; L1093-R1124 PolarHBondContact N-O 3.36Å |
| 1125 | Y | 75.8 | Confident | 63.9 | Low | 110 Ų | 110 | 100.5 Ų | 100.5 | 43% | 0.431 | 54% | 0.54 | S | S | . | . | trans | -129 | 77.6 | 179.2 | -164.8 | -125.5 | 0 | 0 | 0 | 110.7 | L1093 K1113 L1127 | L1093-Y1125 HydrophobicContact CD2-CD2 3.63Å; L1093-Y1125 HydrophobicContact CD2-CE2 3.87Å; K1113-Y1125 VanDerWaalsContact CE-CE2 3.47Å; K1113-Y1125 VanDerWaalsContact NZ-CD1 3.32Å; K1113-Y1125 VanDerWaalsContact NZ-CE2 3.29Å; Y1125-L1127 VanDerWaalsContact C-N 3.29Å; Y1125-L1127 HydrophobicContact CD1-CD1 4.13Å; Y1125-L1127 HydrophobicContact CD1-CG 4.13Å; Y1125-L1127 HydrophobicContact CE1-CB 4.47Å; Y1125-L1127 HydrophobicContact CE1-CD1 3.4Å; Y1125-L1127 HydrophobicContact CE1-CG 3.54Å; Y1125-L1127 PolarHBondContact O-N 3.32Å | ||
| 1126 | E | 57.8 | Low | 61.6 | Low | 106 Ų | 106 | 110.9 Ų | 110.9 | 50% | 0.495 | 58% | 0.578 | S | S | . | * | trans | -75.8 | 80 | 176 | -64.8 | -146.5 | 169.6 | 0 | 0 | 111.3 | G1128 | E1126-G1128 PolarHBondContact O-N 3.33Š| ||
| 1127 | L | 49.9 | Very low | 59 | Low | 143 Ų | 143 | 119.5 Ų | 119.5 | 75% | 0.749 | 62% | 0.618 | S | S | * | * | trans | -67.8 | 80.9 | 169.4 | -108 | 179.3 | 0 | 0 | 0 | 111.1 | Y1125 | Y1125-L1127 VanDerWaalsContact C-N 3.29Å; Y1125-L1127 HydrophobicContact CD1-CD1 4.13Å; Y1125-L1127 HydrophobicContact CD1-CG 4.13Å; Y1125-L1127 HydrophobicContact CE1-CB 4.47Å; Y1125-L1127 HydrophobicContact CE1-CD1 3.4Å; Y1125-L1127 HydrophobicContact CE1-CG 3.54Å; Y1125-L1127 PolarHBondContact O-N 3.32Å | ||
| 1128 | G | 36.1 | Very low | 56.4 | Low | 56 Ų | 56 | 120.9 Ų | 120.9 | 58% | 0.577 | 63% | 0.63 | S | S | * | * | S | Bend | trans | 103.3 | 120.2 | 169 | 0 | 0 | 0 | 0 | 0 | 114.2 | E1126 | E1126-G1128 PolarHBondContact O-N 3.33Š|
| 1129 | A | 33.9 | Very low | 54 | Low | 90 Ų | 90 | 123.6 Ų | 123.6 | 74% | 0.744 | 64% | 0.64 | S | S | * | * | trans | -60.1 | 131.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | G1131 | A1129-G1131 PolarHBondContact O-N 2.74Š| ||
| 1130 | P | 38 | Very low | 51.8 | Low | 138 Ų | 138 | 129.6 Ų | 129.6 | 90% | 0.896 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -77.9 | 61.7 | -179.4 | 32.4 | -36.3 | 0 | 0 | 0 | 112 | ||
| 1131 | G | 42.9 | Very low | 49.2 | Very low | 55 Ų | 55 | 133 Ų | 133 | 57% | 0.567 | 67% | 0.67 | S | S | * | * | trans | -140.9 | 137.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | A1129 | A1129-G1131 PolarHBondContact O-N 2.74Š| ||
| 1132 | K | 43.6 | Very low | 46.7 | Very low | 212 Ų | 212 | 139.2 Ų | 139.2 | 92% | 0.922 | 71% | 0.709 | S | S | * | * | S | Bend | trans | 81.1 | 26.2 | 178.7 | -49.5 | 174.2 | -178.1 | 174.7 | 0 | 118.1 | ||
| 1133 | Q | 37.5 | Very low | 44.3 | Very low | 205 Ų | 205 | 144.4 Ų | 144.4 | 96% | 0.958 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -117.6 | 10.6 | 159.5 | -71.9 | -161.6 | -3.8 | 0 | 0 | 114.8 | ||
| 1134 | A | 34.9 | Very low | 41.7 | Very low | 107 Ų | 107 | 151.3 Ų | 151.3 | 88% | 0.884 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -100.5 | 1.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 1135 | E | 37.9 | Very low | 39.5 | Very low | 184 Ų | 184 | 151.8 Ų | 151.8 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | trans | -133.5 | 54.5 | -170.8 | -159.6 | 172.1 | -155.3 | 0 | 0 | 113.7 | ||||
| 1136 | R | 35.9 | Very low | 37.4 | Very low | 233 Ų | 233 | 151.4 Ų | 151.4 | 88% | 0.879 | 79% | 0.787 | S | S | * | * | trans | -142.4 | 75.6 | 163.4 | -75 | -166.1 | 175.9 | -173.7 | -0.8 | 111.6 | ||||
| 1137 | H | 33.2 | Very low | 36.6 | Very low | 181 Ų | 181 | 156 Ų | 156 | 84% | 0.838 | 81% | 0.806 | S | S | * | * | trans | -174.2 | 80.6 | 146.9 | -95 | 128.5 | 0 | 0 | 0 | 113.1 | ||||
| 1138 | V | 34.7 | Very low | 35.9 | Very low | 133 Ų | 133 | 160.7 Ų | 160.7 | 81% | 0.806 | 81% | 0.813 | S | S | * | * | trans | -134.9 | 92.8 | 154.9 | -176.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1139 | R | 32.1 | Very low | 35.8 | Very low | 207 Ų | 207 | 171.4 Ų | 171.4 | 78% | 0.781 | 84% | 0.844 | S | S | * | * | trans | -69.2 | 127.9 | 169.8 | -88.7 | 178.9 | 166.6 | 153.4 | -4.4 | 109.7 | ||||
| 1140 | R | 34.7 | Very low | 35.9 | Very low | 234 Ų | 234 | 175.5 Ų | 175.5 | 88% | 0.883 | 85% | 0.849 | S | S | * | * | trans | -132 | 99.2 | 156.6 | -76.9 | -165.4 | 174.1 | -149.3 | -0.9 | 110 | ||||
| 1141 | H | 29.9 | Very low | 35.7 | Very low | 156 Ų | 156 | 177.4 Ų | 177.4 | 72% | 0.722 | 85% | 0.846 | S | S | * | * | trans | -84.3 | 133.1 | 166.2 | -68.4 | -81.4 | 0 | 0 | 0 | 110 | ||||
| 1142 | T | 35.1 | Very low | 35.3 | Very low | 143 Ų | 143 | 184.2 Ų | 184.2 | 88% | 0.877 | 86% | 0.862 | S | S | * | * | trans | -120.7 | 158.3 | 154.1 | 46.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1143 | K | 33.9 | Very low | 34.9 | Very low | 193 Ų | 193 | 182.6 Ų | 182.6 | 84% | 0.839 | 86% | 0.858 | S | S | * | * | trans | -113.1 | 169.4 | -158.8 | -59.8 | 179.3 | 178.4 | -178.3 | 0 | 113 | ||||
| 1144 | K | 32.3 | Very low | 34.7 | Very low | 194 Ų | 194 | 181.2 Ų | 181.2 | 84% | 0.843 | 85% | 0.852 | S | S | * | * | trans | 90.5 | 157.5 | 159.1 | -58.5 | -178.6 | -179.4 | -178.2 | 0 | 116.4 | ||||
| 1145 | P | 40.4 | Very low | 34.7 | Very low | 108 Ų | 108 | 186.1 Ų | 186.1 | 70% | 0.701 | 85% | 0.85 | S | S | * | * | cis | -143.1 | 169.1 | -37.3 | 38.6 | -22 | 0 | 0 | 0 | 116.2 | ||||
| 1146 | S | 31.3 | Very low | 34.5 | Very low | 101 Ų | 101 | 186.3 Ų | 186.3 | 71% | 0.706 | 85% | 0.849 | S | S | * | * | trans | 49.3 | 108.9 | 142.9 | 63.8 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 1147 | K | 40.4 | Very low | 34.3 | Very low | 204 Ų | 204 | 182.7 Ų | 182.7 | 89% | 0.887 | 85% | 0.847 | S | S | * | * | 36.9 | 143.2 | 123.4 | -69.4 | -168.6 | 174.2 | -171.7 | 0 | 121.6 | |||||
| 1148 | R | 35 | Very low | 34.4 | Very low | 240 Ų | 240 | 182.8 Ų | 182.8 | 91% | 0.906 | 85% | 0.848 | S | S | * | * | trans | 98.4 | 138.7 | 168.4 | -62.7 | 173.7 | 167.2 | 177.6 | -4.1 | 113.1 | ||||
| 1149 | K | 33.5 | Very low | 34.4 | Very low | 281 Ų | 281 | 187.4 Ų | 187.4 | 100% | 1.222 | 85% | 0.852 | S | S | * | * | cis | -96.3 | 0 | -4 | -82.8 | -177.6 | 175.1 | 177.2 | 0 | 111.5 |
Retrieved 1,149 of 1,149 residues in 411.2 ms
(Link to these results)