| 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 | 34.5 | Very low | 35.2 | Very low | 191 Ų | 191 | 116.4 Ų | 116.4 | 94% | 0.941 | 55% | 0.547 | S | S | * | . | 0 | -43.2 | 0 | -73.3 | -178.8 | 178.1 | 0 | 0 | 113.3 | N3 S4 | M1-N3 VanDerWaalsContact C-N 3.3Å; M1-N3 PolarHBondContact O-N 3.49Å; M1-S4 WeakPolarHBondContact O-CA 3.31Å; M1-S4 VanDerWaalsContact O-CB 3.24Å; M1-S4 WeakPolarHBondContact O-CB 3.44Å; M1-S4 PolarHBondContact O-N 3.21Å; M1-S4 PolarHBondContact O-OG 3.37Å | |||
| 2 | Y | 29.1 | Very low | 34.9 | Very low | 134 Ų | 134 | 112.1 Ų | 112.1 | 53% | 0.525 | 54% | 0.535 | S | S | . | . | G | 310 helix | trans | -54.6 | -40.6 | 177.3 | -68.5 | -71.9 | 0 | 0 | 0 | 114.1 | S4 F5 L563 | Y2-S4 PolarHBondContact O-N 3.36Å; Y2-F5 PolarHBondContact O-N 3.34Å; Y2-L563 HydrophobicContact CD1-CD2 4.45Å; Y2-L563 HydrophobicContact CG-CD2 4.47Å |
| 3 | N | 27.6 | Very low | 34.6 | Very low | 143 Ų | 143 | 108.5 Ų | 108.5 | 77% | 0.765 | 53% | 0.529 | S | S | * | . | G | 310 helix | trans | -59.8 | -6.3 | 171.4 | -85 | -27.5 | 0 | 0 | 0 | 115.5 | M1 P7 | M1-N3 VanDerWaalsContact C-N 3.3Å; M1-N3 PolarHBondContact O-N 3.49Å; N3-P7 WeakPolarHBondContact O-CD 3.42Å; N3-P7 WeakPolarHBondContact O-CG 3.37Å |
| 4 | S | 32.7 | Very low | 34.9 | Very low | 72 Ų | 72 | 110 Ų | 110 | 50% | 0.503 | 56% | 0.556 | S | S | . | * | G | 310 helix | trans | -97.8 | -2.3 | 179.1 | -49.3 | 0 | 0 | 0 | 0 | 113.7 | M1 Y2 Y8 | M1-S4 WeakPolarHBondContact O-CA 3.31Å; M1-S4 VanDerWaalsContact O-CB 3.24Å; M1-S4 WeakPolarHBondContact O-CB 3.44Å; M1-S4 PolarHBondContact O-N 3.21Å; M1-S4 PolarHBondContact O-OG 3.37Å; Y2-S4 PolarHBondContact O-N 3.36Å; S4-Y8 WeakPolarHBondContact O-CD2 3.39Å |
| 5 | F | 36.3 | Very low | 35 | Very low | 152 Ų | 152 | 114.1 Ų | 114.1 | 67% | 0.667 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.3 | -47.2 | 175.7 | -108.9 | -96.8 | 0 | 0 | 0 | 112.6 | Y2 Y8 L9 | Y2-F5 PolarHBondContact O-N 3.34Å; F5-Y8 PolarHBondContact O-N 3.09Å; F5-Y8 VanDerWaalsContact O-N 3.12Å; F5-L9 PolarHBondContact O-N 3.13Å |
| 6 | F | 37.6 | Very low | 35.4 | Very low | 56 Ų | 56 | 119.3 Ų | 119.3 | 25% | 0.246 | 58% | 0.579 | C | S | . | * | H | α-helix | trans | -53.9 | -49.4 | -179.2 | -76.3 | -87.9 | 0 | 0 | 0 | 115.2 | Y8 L9 F10 F559 L563 | F6-Y8 PolarHBondContact O-N 3.27Å; F6-L9 PolarHBondContact O-N 3.45Å; F6-F10 HydrophobicContact CD1-CE2 4.36Å; F6-F10 PolarHBondContact O-N 3.5Å; F6-F559 HydrophobicContact CE1-CB 3.78Å; F6-F559 HydrophobicContact CE1-CD1 4.21Å; F6-F559 AromaticContact CE1-CD2 3.72Å; F6-F559 HydrophobicContact CE1-CD2 3.72Å; F6-F559 HydrophobicContact CE1-CE2 4.27Å; F6-F559 AromaticContact CE1-CG 3.67Å; F6-F559 HydrophobicContact CE1-CG 3.67Å; F6-F559 HydrophobicContact CZ-CB 3.8Å; F6-F559 AromaticContact CZ-CD1 3.65Å; F6-F559 HydrophobicContact CZ-CD1 3.65Å; F6-F559 HydrophobicContact CZ-CD2 4.03Å; F6-F559 HydrophobicContact CZ-CE1 4.14Å; F6-F559 HydrophobicContact CZ-CE2 4.47Å; F6-F559 AromaticContact CZ-CG 3.58Å; F6-F559 HydrophobicContact CZ-CG 3.58Å; F6-L563 HydrophobicContact CE2-CD1 3.94Å; F6-L563 HydrophobicContact CZ-CD1 4.05Å |
| 7 | P | 37.9 | Very low | 35.5 | Very low | 67 Ų | 67 | 124.5 Ų | 124.5 | 44% | 0.435 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -69.9 | -12.7 | -179 | 28.3 | -35.6 | 0 | 0 | 0 | 113.6 | N3 R11 | N3-P7 WeakPolarHBondContact O-CD 3.42Å; N3-P7 WeakPolarHBondContact O-CG 3.37Å; P7-R11 WeakPolarHBondContact O-CB 3.36Å; P7-R11 PolarHBondContact O-N 3.35Å |
| 8 | Y | 37.3 | Very low | 35.4 | Very low | 176 Ų | 176 | 123.8 Ų | 123.8 | 69% | 0.69 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -84.3 | -35.8 | 172.5 | -73.8 | -95.1 | 0 | 0 | 0 | 111.8 | S4 F5 F6 | S4-Y8 WeakPolarHBondContact O-CD2 3.39Å; F5-Y8 PolarHBondContact O-N 3.09Å; F5-Y8 VanDerWaalsContact O-N 3.12Å; F6-Y8 PolarHBondContact O-N 3.27Å |
| 9 | L | 41.3 | Very low | 35.9 | Very low | 70 Ų | 70 | 125.3 Ų | 125.3 | 37% | 0.366 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -67.2 | -38.5 | 177.9 | -141.9 | 90 | 0 | 0 | 0 | 112.5 | F5 F6 | F5-L9 PolarHBondContact O-N 3.13Å; F6-L9 PolarHBondContact O-N 3.45Å |
| 10 | F | 37.3 | Very low | 36 | Very low | 83 Ų | 83 | 122.6 Ų | 122.6 | 36% | 0.364 | 62% | 0.617 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.3 | -2.8 | -176 | -71.2 | -75.5 | 0 | 0 | 0 | 114.8 | F6 F538 V555 C556 | F6-F10 HydrophobicContact CD1-CE2 4.36Å; F6-F10 PolarHBondContact O-N 3.5Å; F10-F538 HydrophobicContact CE1-CE1 4.05Å; F10-F538 HydrophobicContact CE1-CZ 4.12Å; F10-V555 HydrophobicContact CZ-CG1 4.3Å; F10-C556 VanDerWaalsContact CZ-SG 3.54Å |
| 11 | R | 35.7 | Very low | 35.9 | Very low | 136 Ų | 136 | 123.4 Ų | 123.4 | 51% | 0.513 | 63% | 0.628 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -106.9 | -7.2 | 179.2 | -161.9 | 168.8 | -173.9 | 171.7 | 5.3 | 114.5 | P7 | P7-R11 WeakPolarHBondContact O-CB 3.36Å; P7-R11 PolarHBondContact O-N 3.35Å |
| 12 | T | 30.8 | Very low | 36.5 | Very low | 65 Ų | 65 | 124.4 Ų | 124.4 | 40% | 0.399 | 63% | 0.627 | S | S | . | * | S | Bend | trans | -74.2 | 122.3 | 156.8 | 53.5 | 0 | 0 | 0 | 0 | 108.4 | W17 | T12-W17 HydrophobicContact CG2-CZ2 4.18Š|
| 13 | S | 31.3 | Very low | 37 | Very low | 66 Ų | 66 | 124.8 Ų | 124.8 | 46% | 0.462 | 63% | 0.634 | S | S | . | * | trans | -70.9 | 172.6 | -170.1 | 56.6 | 0 | 0 | 0 | 0 | 113.6 | F15 | S13-F15 PolarHBondContact O-N 3.1Š| ||
| 14 | S | 38.7 | Very low | 37.9 | Very low | 129 Ų | 129 | 127.8 Ų | 127.8 | 90% | 0.902 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -63.5 | 19 | 176 | -42.1 | 0 | 0 | 0 | 0 | 115.4 | R16 | S14-R16 PolarHBondContact O-N 3.25Š|
| 15 | F | 36.2 | Very low | 38.1 | Very low | 171 Ų | 171 | 130.4 Ų | 130.4 | 75% | 0.75 | 64% | 0.64 | S | S | * | * | trans | -71 | 119.5 | 171.1 | -93.4 | -100.8 | 0 | 0 | 0 | 109.8 | S13 W17 | S13-F15 PolarHBondContact O-N 3.1Å; F15-W17 PolarHBondContact O-N 3.22Å; F15-W17 VanDerWaalsContact O-N 3.16Å | ||
| 16 | R | 41.2 | Very low | 38.5 | Very low | 197 Ų | 197 | 131.5 Ų | 131.5 | 74% | 0.743 | 65% | 0.652 | S | S | * | * | trans | -54.3 | 120.6 | 172.6 | -64.9 | 175.4 | 62.5 | -144.4 | -5.5 | 109.2 | S14 N18 | S14-R16 PolarHBondContact O-N 3.25Å; R16-N18 PolarHBondContact O-N 3.18Å | ||
| 17 | W | 38.6 | Very low | 38.8 | Very low | 209 Ų | 209 | 133.1 Ų | 133.1 | 79% | 0.792 | 66% | 0.662 | S | S | * | * | trans | -67.9 | 74.1 | 171.6 | -70.7 | 97.6 | 0 | 0 | 0 | 110.8 | T12 F15 T19 | T12-W17 HydrophobicContact CG2-CZ2 4.18Å; F15-W17 PolarHBondContact O-N 3.22Å; F15-W17 VanDerWaalsContact O-N 3.16Å; W17-T19 PolarHBondContact O-N 3.39Å | ||
| 18 | N | 33.1 | Very low | 39.1 | Very low | 111 Ų | 111 | 139.1 Ų | 139.1 | 59% | 0.594 | 68% | 0.682 | S | S | * | * | trans | -67.7 | 124.1 | 164.9 | -71.7 | -61.8 | 0 | 0 | 0 | 108.1 | R16 G20 | R16-N18 PolarHBondContact O-N 3.18Å; N18-G20 PolarHBondContact O-N 3.39Å | ||
| 19 | T | 44.2 | Very low | 39.2 | Very low | 152 Ų | 152 | 134.3 Ų | 134.3 | 93% | 0.933 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | 101.1 | 177.1 | 48.1 | 0 | 0 | 0 | 0 | 110.3 | W17 | W17-T19 PolarHBondContact O-N 3.39Š|
| 20 | G | 38.1 | Very low | 39 | Very low | 72 Ų | 72 | 136.9 Ų | 136.9 | 74% | 0.742 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -162.7 | -52.5 | -178 | 0 | 0 | 0 | 0 | 0 | 115.3 | N18 | N18-G20 PolarHBondContact O-N 3.39Š|
| 21 | T | 34.9 | Very low | 39 | Very low | 140 Ų | 140 | 139.8 Ų | 139.8 | 86% | 0.859 | 71% | 0.708 | S | S | * | * | trans | -125.4 | 101.9 | -165.1 | -1.1 | 0 | 0 | 0 | 0 | 113.2 | E23 | T21-E23 PolarHBondContact O-N 3.1Š| ||
| 22 | K | 46 | Very low | 38.8 | Very low | 211 Ų | 211 | 144.5 Ų | 144.5 | 92% | 0.917 | 73% | 0.726 | S | S | * | * | trans | -85.9 | 80.8 | 165.2 | -76.8 | -174.6 | 173.7 | -177.4 | 0 | 110.4 | ||||
| 23 | E | 40.7 | Very low | 39.2 | Very low | 142 Ų | 142 | 148.6 Ų | 148.6 | 66% | 0.664 | 74% | 0.741 | S | S | * | * | trans | -156.6 | 137 | 158.5 | -115.7 | -178.2 | -90.2 | 0 | 0 | 114.2 | T21 | T21-E23 PolarHBondContact O-N 3.1Š| ||
| 24 | R | 46.5 | Very low | 39.5 | Very low | 207 Ų | 207 | 150.2 Ų | 150.2 | 78% | 0.781 | 75% | 0.75 | S | S | * | * | trans | 41 | 99.1 | 157.9 | -56.9 | 174.7 | -147.6 | -104.1 | -5.5 | 118.4 | ||||
| 25 | M | 36.7 | Very low | 39.1 | Very low | 127 Ų | 127 | 149.2 Ų | 149.2 | 63% | 0.626 | 74% | 0.743 | S | S | * | * | trans | -122.9 | 87.7 | 156.3 | -161 | -168.2 | -53.2 | 0 | 0 | 110.3 | I27 | M25-I27 HydrophobicContact CG-CG1 4.36Å; M25-I27 HydrophobicContact SD-CD1 4.25Å | ||
| 26 | L | 44.6 | Very low | 39 | Very low | 174 Ų | 174 | 150.7 Ų | 150.7 | 91% | 0.911 | 75% | 0.749 | S | S | * | * | trans | -94.4 | 100.4 | 174.9 | -76.7 | 169.6 | 0 | 0 | 0 | 109.8 | K28 | L26-K28 PolarHBondContact O-N 3.11Š| ||
| 27 | I | 43.3 | Very low | 38.8 | Very low | 91 Ų | 91 | 148.5 Ų | 148.5 | 47% | 0.467 | 75% | 0.752 | S | S | . | * | trans | -84.2 | 110 | 175.6 | -60.7 | 174.7 | 0 | 0 | 0 | 108.7 | M25 | M25-I27 HydrophobicContact CG-CG1 4.36Å; M25-I27 HydrophobicContact SD-CD1 4.25Å | ||
| 28 | K | 44.6 | Very low | 38.5 | Very low | 193 Ų | 193 | 143.9 Ų | 143.9 | 84% | 0.839 | 75% | 0.746 | S | S | * | * | trans | -67.9 | 134.3 | 170.1 | -171.3 | 175.5 | -178.9 | -178 | 0 | 109.2 | L26 | L26-K28 PolarHBondContact O-N 3.11Š| ||
| 29 | V | 38.5 | Very low | 38.6 | Very low | 75 Ų | 75 | 147.9 Ų | 147.9 | 46% | 0.455 | 76% | 0.761 | S | S | . | * | trans | -120.8 | 121.5 | 179.5 | -166.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 30 | T | 38.9 | Very low | 38.2 | Very low | 123 Ų | 123 | 149.8 Ų | 149.8 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | trans | -91.1 | 113.9 | 165.9 | 49.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 31 | D | 37.2 | Very low | 37.8 | Very low | 145 Ų | 145 | 150 Ų | 150 | 78% | 0.775 | 76% | 0.761 | S | S | * | * | trans | -74.2 | 150.5 | 175.2 | -119.9 | -45.2 | 0 | 0 | 0 | 111.6 | ||||
| 32 | R | 31.7 | Very low | 37.8 | Very low | 235 Ų | 235 | 151.6 Ų | 151.6 | 89% | 0.887 | 76% | 0.764 | S | S | * | * | trans | -141.9 | 84.3 | 178.9 | -169.6 | 179.8 | 179.4 | 105.5 | 0.2 | 110.1 | ||||
| 33 | E | 38.8 | Very low | 37.1 | Very low | 151 Ų | 151 | 144.7 Ų | 144.7 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | trans | -51 | 133.5 | 176.9 | -72.2 | -66.8 | 162.9 | 0 | 0 | 113.2 | S35 | E33-S35 PolarHBondContact O-N 3.18Š| ||
| 34 | P | 36.1 | Very low | 36.7 | Very low | 100 Ų | 100 | 149.6 Ų | 149.6 | 65% | 0.649 | 77% | 0.767 | S | S | * | * | trans | -87.3 | 87.9 | 170 | 34 | -31.2 | 0 | 0 | 0 | 110.7 | F36 | P34-F36 PolarHBondContact O-N 3.46Š| ||
| 35 | S | 32.1 | Very low | 36 | Very low | 108 Ų | 108 | 144.8 Ų | 144.8 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | trans | -61.3 | 124.6 | 178.9 | -53.3 | 0 | 0 | 0 | 0 | 113.2 | E33 | E33-S35 PolarHBondContact O-N 3.18Š| ||
| 36 | F | 33.3 | Very low | 35.5 | Very low | 202 Ų | 202 | 146.8 Ų | 146.8 | 89% | 0.886 | 78% | 0.778 | S | S | * | * | trans | -118.9 | 140.4 | 159.8 | -79.9 | -80.3 | 0 | 0 | 0 | 110.4 | P34 | P34-F36 PolarHBondContact O-N 3.46Š| ||
| 37 | L | 36.1 | Very low | 35 | Very low | 151 Ų | 151 | 143.3 Ų | 143.3 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | trans | -99.8 | 138.7 | -165.3 | -87.7 | 168.6 | 0 | 0 | 0 | 113.8 | ||||
| 38 | T | 32.4 | Very low | 34.2 | Very low | 111 Ų | 111 | 148.3 Ų | 148.3 | 68% | 0.681 | 79% | 0.789 | S | S | * | * | trans | 15 | 127.5 | 145.9 | 58.3 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 39 | H | 35.1 | Very low | 33.7 | Very low | 195 Ų | 195 | 144.1 Ų | 144.1 | 90% | 0.903 | 78% | 0.783 | S | S | * | * | trans | -106.4 | 142.8 | 139.3 | -85.1 | -96.9 | 0 | 0 | 0 | 109.8 | ||||
| 40 | Q | 37.7 | Very low | 33.8 | Very low | 193 Ų | 193 | 145.9 Ų | 145.9 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | trans | -104.4 | 151.6 | 173.4 | -64.4 | -170.4 | 78.7 | 0 | 0 | 110.4 | ||||
| 41 | G | 29.6 | Very low | 33.6 | Very low | 75 Ų | 75 | 146.2 Ų | 146.2 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | trans | 173.6 | 102.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 42 | N | 33.8 | Very low | 33.8 | Very low | 174 Ų | 174 | 145.6 Ų | 145.6 | 93% | 0.93 | 80% | 0.802 | S | S | * | * | trans | -43.2 | 154.6 | -178.6 | -65.7 | -5.4 | 0 | 0 | 0 | 117.6 | ||||
| 43 | G | 31.1 | Very low | 33.7 | Very low | 66 Ų | 66 | 138.2 Ų | 138.2 | 68% | 0.68 | 80% | 0.799 | S | S | * | * | trans | -166.5 | 30 | 175.7 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 44 | Y | 32.1 | Very low | 33.3 | Very low | 245 Ų | 245 | 135.2 Ų | 135.2 | 96% | 0.961 | 81% | 0.809 | S | S | * | * | trans | 68.2 | 171.9 | 171.5 | -63.3 | -83 | 0 | 0 | 0 | 118.3 | ||||
| 45 | S | 31.8 | Very low | 33.1 | Very low | 106 Ų | 106 | 134 Ų | 134 | 74% | 0.741 | 82% | 0.815 | S | S | * | * | trans | -147.1 | 146.5 | -162 | 171.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 46 | L | 27 | Very low | 33 | Very low | 169 Ų | 169 | 135.9 Ų | 135.9 | 89% | 0.885 | 82% | 0.816 | S | S | * | * | trans | -156.5 | 141.4 | 132.8 | -162.2 | 59.5 | 0 | 0 | 0 | 110.7 | ||||
| 47 | C | 32.9 | Very low | 33 | Very low | 102 Ų | 102 | 131.8 Ų | 131.8 | 69% | 0.689 | 81% | 0.808 | S | S | * | * | trans | -93.4 | 140.5 | 168.4 | -62.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 48 | E | 27.6 | Very low | 32.9 | Very low | 196 Ų | 196 | 132 Ų | 132 | 92% | 0.916 | 81% | 0.809 | S | S | * | * | 178 | 167.1 | 114.5 | -98.4 | -169.2 | 135.1 | 0 | 0 | 113.1 | |||||
| 49 | S | 33 | Very low | 32.8 | Very low | 104 Ų | 104 | 138.6 Ų | 138.6 | 73% | 0.727 | 82% | 0.821 | S | S | * | * | trans | -138.4 | 147.6 | 173.8 | -167.2 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 50 | P | 41.9 | Very low | 32.7 | Very low | 112 Ų | 112 | 136.1 Ų | 136.1 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | cis | -144 | -179.9 | 39.8 | 41.2 | -21.4 | 0 | 0 | 0 | 117.2 | ||||
| 51 | T | 34.5 | Very low | 32.4 | Very low | 130 Ų | 130 | 137.9 Ų | 137.9 | 80% | 0.798 | 81% | 0.813 | S | S | * | * | trans | -67.2 | 149.2 | 162.7 | 48.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 52 | P | 40.8 | Very low | 32.7 | Very low | 132 Ų | 132 | 142.7 Ų | 142.7 | 86% | 0.857 | 82% | 0.816 | S | S | * | * | -143.7 | 150.2 | 91.7 | 37.5 | -22.7 | 0 | 0 | 0 | 115.3 | |||||
| 53 | G | 29.4 | Very low | 32.6 | Very low | 80 Ų | 80 | 139.8 Ų | 139.8 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | trans | 175.4 | 108 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 54 | G | 30 | Very low | 32.8 | Very low | 89 Ų | 89 | 142.2 Ų | 142.2 | 92% | 0.918 | 82% | 0.815 | S | S | * | * | trans | -87.6 | 146.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 55 | G | 31.8 | Very low | 32.8 | Very low | 74 Ų | 74 | 134.7 Ų | 134.7 | 76% | 0.763 | 81% | 0.812 | S | S | * | * | trans | -169.4 | 69.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 56 | N | 31.7 | Very low | 32.9 | Very low | 148 Ų | 148 | 133.1 Ų | 133.1 | 79% | 0.791 | 81% | 0.812 | S | S | * | * | trans | 37.3 | 111.8 | 150.1 | -64.7 | -4.2 | 0 | 0 | 0 | 121.7 | ||||
| 57 | T | 32.7 | Very low | 33.5 | Very low | 115 Ų | 115 | 133.1 Ų | 133.1 | 71% | 0.706 | 81% | 0.814 | S | S | * | * | trans | 57 | 122.2 | 130 | 62.1 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 58 | L | 32.9 | Very low | 34.2 | Very low | 157 Ų | 157 | 134 Ų | 134 | 82% | 0.822 | 82% | 0.818 | S | S | * | * | trans | 55 | 114.1 | 130.3 | -58.4 | 170.8 | 0 | 0 | 0 | 119.6 | ||||
| 59 | R | 32.1 | Very low | 35.3 | Very low | 248 Ų | 248 | 130.2 Ų | 130.2 | 94% | 0.936 | 81% | 0.81 | S | S | * | * | -170 | 139.1 | 107.4 | -100.6 | 157.5 | -172.6 | -153.9 | 0.2 | 112.6 | |||||
| 60 | N | 32.2 | Very low | 35.4 | Very low | 144 Ų | 144 | 130.9 Ų | 130.9 | 77% | 0.77 | 82% | 0.815 | S | S | * | * | trans | -83.4 | 150.1 | 168.8 | -169.1 | 23.7 | 0 | 0 | 0 | 110.2 | ||||
| 61 | R | 30.8 | Very low | 35.2 | Very low | 229 Ų | 229 | 134.2 Ų | 134.2 | 86% | 0.864 | 82% | 0.821 | S | S | * | * | trans | -86.9 | 137 | 178.5 | -81 | -173.9 | 170.3 | -155.2 | -0.3 | 111.9 | ||||
| 62 | H | 35.5 | Very low | 36.2 | Very low | 177 Ų | 177 | 132.3 Ų | 132.3 | 82% | 0.819 | 81% | 0.81 | S | S | * | * | trans | -140 | 159.4 | 151.6 | -79.4 | -75.3 | 0 | 0 | 0 | 109.3 | ||||
| 63 | S | 33.2 | Very low | 35.9 | Very low | 112 Ų | 112 | 133.7 Ų | 133.7 | 78% | 0.783 | 81% | 0.811 | S | S | * | * | trans | -106.5 | 128.4 | -154.6 | -53.1 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 64 | S | 35.3 | Very low | 36 | Very low | 118 Ų | 118 | 134 Ų | 134 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | trans | 37.9 | 124.1 | 138.7 | 61.4 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 65 | G | 31.5 | Very low | 36.4 | Very low | 87 Ų | 87 | 135.3 Ų | 135.3 | 90% | 0.897 | 81% | 0.809 | S | S | * | * | trans | 109.2 | 128.6 | 148.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 66 | G | 33.1 | Very low | 37.7 | Very low | 72 Ų | 72 | 137.1 Ų | 137.1 | 74% | 0.742 | 81% | 0.807 | S | S | * | * | cis | -165.2 | 167.4 | -4.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 67 | N | 40.3 | Very low | 38 | Very low | 170 Ų | 170 | 136.1 Ų | 136.1 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | trans | -98.8 | 153.2 | -164.6 | -69.2 | -16.4 | 0 | 0 | 0 | 115.9 | ||||
| 68 | P | 47.7 | Very low | 38.1 | Very low | 119 Ų | 119 | 136.8 Ų | 136.8 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | trans | -106.7 | 176.1 | 166.7 | 41.3 | -34.3 | 0 | 0 | 0 | 113.8 | ||||
| 69 | P | 51.9 | Low | 38.2 | Very low | 118 Ų | 118 | 139 Ų | 139 | 77% | 0.766 | 80% | 0.804 | S | S | * | * | trans | -129 | 137.4 | 166.3 | 37.1 | -22.3 | 0 | 0 | 0 | 117 | ||||
| 70 | S | 34.4 | Very low | 38.2 | Very low | 117 Ų | 117 | 132.3 Ų | 132.3 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | 56.3 | 105.1 | 140.6 | -49.2 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 71 | E | 36.7 | Very low | 38.3 | Very low | 182 Ų | 182 | 131.7 Ų | 131.7 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | 15.8 | 168.2 | 120.3 | -71.7 | -140 | 148.4 | 0 | 0 | 124.2 | |||||
| 72 | P | 55.8 | Low | 38.4 | Very low | 90 Ų | 90 | 132 Ų | 132 | 58% | 0.584 | 79% | 0.793 | S | S | * | * | cis | -138.7 | -179.8 | -12.1 | 27.9 | -4.4 | 0 | 0 | 0 | 117.1 | ||||
| 73 | N | 34.6 | Very low | 38.8 | Very low | 162 Ų | 162 | 134.3 Ų | 134.3 | 87% | 0.866 | 79% | 0.794 | S | S | * | * | trans | 123.6 | 135.5 | 144.9 | -69.1 | -54.6 | 0 | 0 | 0 | 118.3 | ||||
| 74 | G | 31.9 | Very low | 38.9 | Very low | 86 Ų | 86 | 138.2 Ų | 138.2 | 89% | 0.887 | 80% | 0.8 | S | S | * | * | trans | 134.8 | 119.3 | 167.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 75 | S | 38.2 | Very low | 39.3 | Very low | 117 Ų | 117 | 137.8 Ų | 137.8 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -136 | -175.8 | -179.8 | 68.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 76 | P | 58.4 | Low | 40.3 | Very low | 111 Ų | 111 | 139.6 Ų | 139.6 | 72% | 0.721 | 79% | 0.793 | S | S | * | * | cis | -137.9 | -142.9 | 3 | 41.2 | -19.4 | 0 | 0 | 0 | 114 | ||||
| 77 | V | 37.7 | Very low | 40.3 | Very low | 127 Ų | 127 | 146.6 Ų | 146.6 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | trans | 88.5 | 131.8 | 168.7 | -171.8 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 78 | L | 36.7 | Very low | 40.4 | Very low | 129 Ų | 129 | 145.4 Ų | 145.4 | 68% | 0.675 | 79% | 0.791 | S | S | * | * | cis | -173.9 | 149.9 | -39.4 | -113 | 173 | 0 | 0 | 0 | 110 | ||||
| 79 | Y | 34.6 | Very low | 40 | Very low | 205 Ų | 205 | 147.4 Ų | 147.4 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | 61.5 | 149.9 | 166.5 | -67.8 | -62.8 | 0 | 0 | 0 | 119 | ||||
| 80 | S | 32.3 | Very low | 39.2 | Very low | 107 Ų | 107 | 150.3 Ų | 150.3 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | cis | -160.7 | 165.2 | -26.2 | -146.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 81 | D | 33.1 | Very low | 39.3 | Very low | 131 Ų | 131 | 149 Ų | 149 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | trans | -74.3 | 143.5 | 173 | 166.6 | 55.2 | 0 | 0 | 0 | 113.7 | ||||
| 82 | R | 33.5 | Very low | 39.1 | Very low | 235 Ų | 235 | 147.1 Ų | 147.1 | 89% | 0.887 | 77% | 0.771 | S | S | * | * | -168.6 | 144.1 | 129.1 | -111.8 | 176.7 | 178.6 | -170.2 | -1.1 | 115 | |||||
| 83 | R | 43.4 | Very low | 38.4 | Very low | 225 Ų | 225 | 150.8 Ų | 150.8 | 85% | 0.849 | 79% | 0.785 | S | S | * | * | trans | -81 | 144.7 | 164.7 | -60.5 | 170.9 | 172.9 | -103 | 0.7 | 111.6 | ||||
| 84 | Q | 35.8 | Very low | 38.3 | Very low | 195 Ų | 195 | 146 Ų | 146 | 91% | 0.911 | 77% | 0.773 | S | S | * | * | trans | -169.1 | 165.9 | 131.2 | -111.3 | 167 | -2.3 | 0 | 0 | 113.3 | ||||
| 85 | S | 44.5 | Very low | 38.4 | Very low | 108 Ų | 108 | 147.9 Ų | 147.9 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | trans | -92.1 | 161.1 | 175 | 49.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 86 | P | 52.5 | Low | 38.3 | Very low | 126 Ų | 126 | 147.8 Ų | 147.8 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | -123 | 139 | 154.4 | 35.1 | -24.3 | 0 | 0 | 0 | 113 | ||||
| 87 | Y | 32.3 | Very low | 37.1 | Very low | 218 Ų | 218 | 145.5 Ų | 145.5 | 86% | 0.855 | 77% | 0.769 | S | S | * | * | trans | -126.1 | 146 | 165.7 | -136.2 | -78.1 | 0 | 0 | 0 | 105.5 | ||||
| 88 | L | 41.5 | Very low | 37 | Very low | 145 Ų | 145 | 145.4 Ų | 145.4 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | trans | 71 | 152.4 | 173.7 | -53.7 | -175.1 | 0 | 0 | 0 | 116.6 | ||||
| 89 | K | 40.1 | Very low | 37.1 | Very low | 161 Ų | 161 | 148 Ų | 148 | 70% | 0.7 | 78% | 0.777 | S | S | * | * | cis | -172.6 | 155 | -26.7 | -159.5 | -173.6 | -168.9 | 169 | 0 | 110.9 | ||||
| 90 | R | 35 | Very low | 37.2 | Very low | 179 Ų | 179 | 149.4 Ų | 149.4 | 68% | 0.675 | 78% | 0.781 | S | S | * | * | trans | 69.6 | 117.5 | 148.7 | 178.5 | -172 | -85 | 134.1 | -10.5 | 120.6 | E92 | R90-E92 VanDerWaalsContact CD-OE1 3.23Å; R90-E92 WeakPolarHBondContact CD-OE1 3.39Å; R90-E92 HydrophobicContact CG-CG 3.69Å; R90-E92 IonicContact CZ-OE1 3.97Å; R90-E92 IonicContact NE-OE1 2.94Å; R90-E92 PolarHBondContact NE-OE1 3.41Å | ||
| 91 | A | 36.3 | Very low | 37.6 | Very low | 91 Ų | 91 | 155.7 Ų | 155.7 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | -149.1 | 123.3 | 109.9 | 0 | 0 | 0 | 0 | 0 | 107.2 | |||||
| 92 | E | 33.4 | Very low | 38.4 | Very low | 142 Ų | 142 | 155 Ų | 155 | 66% | 0.664 | 79% | 0.792 | S | S | * | * | 65.4 | 126.1 | 77.4 | -42 | -108 | 151 | 0 | 0 | 110.1 | R90 | R90-E92 VanDerWaalsContact CD-OE1 3.23Å; R90-E92 WeakPolarHBondContact CD-OE1 3.39Å; R90-E92 HydrophobicContact CG-CG 3.69Å; R90-E92 IonicContact CZ-OE1 3.97Å; R90-E92 IonicContact NE-OE1 2.94Å; R90-E92 PolarHBondContact NE-OE1 3.41Å | |||
| 93 | L | 40.1 | Very low | 38.4 | Very low | 167 Ų | 167 | 149.6 Ų | 149.6 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | cis | -155.6 | 154 | 22.3 | -165.9 | 70.9 | 0 | 0 | 0 | 109.3 | ||||
| 94 | G | 32.5 | Very low | 38.1 | Very low | 60 Ų | 60 | 145.1 Ų | 145.1 | 62% | 0.619 | 79% | 0.787 | S | S | * | * | cis | 178.1 | -178.3 | -5.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 95 | S | 33.8 | Very low | 38.4 | Very low | 127 Ų | 127 | 144.1 Ų | 144.1 | 89% | 0.888 | 78% | 0.783 | S | S | * | * | trans | 64.1 | 140.4 | 172.2 | -66.9 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 96 | S | 36.7 | Very low | 38.1 | Very low | 114 Ų | 114 | 144.8 Ų | 144.8 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | cis | -167.3 | 146.7 | -6.9 | 48.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 97 | G | 33.7 | Very low | 38 | Very low | 63 Ų | 63 | 147 Ų | 147 | 65% | 0.649 | 79% | 0.787 | S | S | * | * | trans | 80.3 | 110.1 | 165.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 98 | T | 35.2 | Very low | 39 | Very low | 125 Ų | 125 | 142.1 Ų | 142.1 | 77% | 0.767 | 78% | 0.782 | S | S | * | * | 63.2 | 130.6 | 63.1 | 75.5 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 99 | H | 38 | Very low | 39.2 | Very low | 184 Ų | 184 | 141.1 Ų | 141.1 | 85% | 0.852 | 78% | 0.784 | S | S | * | * | cis | -137.6 | 174.6 | 24.3 | -86.9 | -92.4 | 0 | 0 | 0 | 115.2 | ||||
| 100 | R | 38 | Very low | 39.6 | Very low | 235 Ų | 235 | 138.2 Ų | 138.2 | 89% | 0.887 | 78% | 0.784 | S | S | * | * | trans | -91.8 | 148.1 | 173.9 | -62.5 | 174 | 173.2 | 174.5 | -4.1 | 112.7 | ||||
| 101 | R | 40.6 | Very low | 40.5 | Very low | 238 Ų | 238 | 135.6 Ų | 135.6 | 90% | 0.898 | 79% | 0.79 | S | S | * | * | -178.5 | 146.4 | 108.8 | -100.1 | -177.5 | -174.5 | -158.1 | 2.7 | 112.4 | |||||
| 102 | P | 49.4 | Very low | 41.2 | Very low | 118 Ų | 118 | 142.7 Ų | 142.7 | 77% | 0.766 | 80% | 0.797 | S | S | * | * | trans | -97.8 | 148.8 | 165.3 | 36.7 | -30.6 | 0 | 0 | 0 | 112.1 | ||||
| 103 | S | 32.7 | Very low | 41.7 | Very low | 121 Ų | 121 | 146.4 Ų | 146.4 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | trans | -154.8 | 163.6 | 164.4 | -74.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 104 | T | 38.1 | Very low | 42.2 | Very low | 131 Ų | 131 | 143.3 Ų | 143.3 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | -92.7 | 176 | -171.8 | 46.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 105 | E | 41.1 | Very low | 42.8 | Very low | 173 Ų | 173 | 148.5 Ų | 148.5 | 81% | 0.808 | 81% | 0.811 | S | S | * | * | trans | 75.1 | 106.7 | 161.9 | -144.4 | 64.7 | -107.9 | 0 | 0 | 117.9 | ||||
| 106 | S | 38.2 | Very low | 44.3 | Very low | 122 Ų | 122 | 150.6 Ų | 150.6 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | trans | 179.2 | 146 | 142.3 | -81.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 107 | Q | 51.4 | Low | 45.5 | Very low | 174 Ų | 174 | 149.5 Ų | 149.5 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 157 | -174.8 | -60.6 | 165.4 | -80.7 | 0 | 0 | 113.4 | ||
| 108 | P | 52.3 | Low | 47 | Very low | 115 Ų | 115 | 151.6 Ų | 151.6 | 75% | 0.747 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 138.5 | 157.5 | 29.2 | -34.3 | 0 | 0 | 0 | 109.6 | S110 | P108-S110 PolarHBondContact O-N 3.12Š|
| 109 | P | 46 | Very low | 48 | Very low | 124 Ų | 124 | 154 Ų | 154 | 81% | 0.805 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 126.9 | -175.2 | 27.3 | -34.2 | 0 | 0 | 0 | 111.7 | ||
| 110 | S | 48.9 | Very low | 49.2 | Very low | 99 Ų | 99 | 155 Ų | 155 | 69% | 0.692 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 134.6 | 169.4 | -55.9 | 0 | 0 | 0 | 0 | 110.5 | P108 R112 | P108-S110 PolarHBondContact O-N 3.12Å; S110-R112 PolarHBondContact O-N 2.64Å |
| 111 | P | 53.6 | Low | 50.8 | Low | 124 Ų | 124 | 152.4 Ų | 152.4 | 81% | 0.805 | 80% | 0.802 | S | S | * | * | trans | -71.9 | 90.1 | -175.4 | 28.8 | -35.3 | 0 | 0 | 0 | 111.7 | Y113 | P111-Y113 VanDerWaalsContact C-N 3.33Å; P111-Y113 PolarHBondContact O-N 3.4Å; P111-Y113 VanDerWaalsContact O-N 3.12Å | ||
| 112 | R | 50.4 | Low | 52 | Low | 240 Ų | 240 | 149 Ų | 149 | 91% | 0.906 | 80% | 0.797 | S | S | * | * | trans | -78.2 | 84.3 | 162.6 | -81.4 | -170.5 | 176 | 155.4 | -0.5 | 110 | S110 | S110-R112 PolarHBondContact O-N 2.64Š| ||
| 113 | Y | 45.2 | Very low | 52.8 | Low | 220 Ų | 220 | 147.5 Ų | 147.5 | 86% | 0.863 | 79% | 0.787 | S | S | * | * | trans | -114.9 | 111 | 151.4 | -85.9 | -84.1 | 0 | 0 | 0 | 108.3 | P111 F115 | P111-Y113 VanDerWaalsContact C-N 3.33Å; P111-Y113 PolarHBondContact O-N 3.4Å; P111-Y113 VanDerWaalsContact O-N 3.12Å; Y113-F115 PolarHBondContact O-N 2.79Å | ||
| 114 | A | 50 | Low | 53.9 | Low | 103 Ų | 103 | 147.4 Ų | 147.4 | 85% | 0.851 | 78% | 0.783 | S | S | * | * | trans | -69 | 107.6 | 165.1 | 0 | 0 | 0 | 0 | 0 | 107.1 | E116 | A114-E116 VanDerWaalsContact C-N 3.31Å; A114-E116 PolarHBondContact O-N 3.2Å; A114-E116 VanDerWaalsContact O-N 3.12Å | ||
| 115 | F | 45 | Very low | 54.8 | Low | 169 Ų | 169 | 146.6 Ų | 146.6 | 74% | 0.741 | 78% | 0.783 | S | S | * | * | trans | -80 | 88 | 169.2 | -173.6 | -95.3 | 0 | 0 | 0 | 107.8 | Y113 P117 | Y113-F115 PolarHBondContact O-N 2.79Å; F115-P117 HydrophobicContact CE1-CB 4.31Å | ||
| 116 | E | 65.9 | Low | 55.5 | Low | 170 Ų | 170 | 145.5 Ų | 145.5 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 120.9 | 162.9 | -159 | 167.6 | -130.8 | 0 | 0 | 107 | A114 | A114-E116 VanDerWaalsContact C-N 3.31Å; A114-E116 PolarHBondContact O-N 3.2Å; A114-E116 VanDerWaalsContact O-N 3.12Å |
| 117 | P | 61.3 | Low | 55.8 | Low | 91 Ų | 91 | 149.2 Ų | 149.2 | 59% | 0.591 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 130.3 | -177.9 | 27.1 | -33 | 0 | 0 | 0 | 108.9 | F115 L119 | F115-P117 HydrophobicContact CE1-CB 4.31Å; P117-L119 PolarHBondContact O-N 3.12Å |
| 118 | P | 64.9 | Low | 56 | Low | 108 Ų | 108 | 149.5 Ų | 149.5 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 128.5 | 173.2 | -25.5 | 34.5 | 0 | 0 | 0 | 110 | Y120 | P118-Y120 PolarHBondContact O-N 3.5Š|
| 119 | L | 55.9 | Low | 56.3 | Low | 174 Ų | 174 | 149.5 Ų | 149.5 | 91% | 0.911 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -56 | 127.2 | 171.6 | -73.6 | 168.3 | 0 | 0 | 0 | 108.3 | P117 E121 | P117-L119 PolarHBondContact O-N 3.12Å; L119-E121 PolarHBondContact O-N 3.42Å; L119-E121 VanDerWaalsContact O-N 3.1Å |
| 120 | Y | 64.3 | Low | 56.8 | Low | 206 Ų | 206 | 149.1 Ų | 149.1 | 81% | 0.808 | 78% | 0.78 | S | S | * | * | trans | -66.7 | 109.8 | -179 | -177.3 | -93.1 | 0 | 0 | 0 | 109 | P118 E122 | P118-Y120 PolarHBondContact O-N 3.5Å; Y120-E122 PolarHBondContact O-N 3.38Å | ||
| 121 | E | 70.6 | Confident | 57.1 | Low | 181 Ų | 181 | 150.4 Ų | 150.4 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 122.6 | 175.7 | -170.1 | 173.1 | -132.8 | 0 | 0 | 109.3 | L119 | L119-E121 PolarHBondContact O-N 3.42Å; L119-E121 VanDerWaalsContact O-N 3.1Å |
| 122 | E | 67.6 | Low | 57 | Low | 167 Ų | 167 | 152 Ų | 152 | 78% | 0.78 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 122.1 | -178.7 | -173 | 175.7 | 175.6 | 0 | 0 | 109.8 | Y120 | Y120-E122 PolarHBondContact O-N 3.38Š|
| 123 | P | 66 | Low | 57.3 | Low | 86 Ų | 86 | 150.6 Ų | 150.6 | 56% | 0.558 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 136.1 | -178 | 27.1 | -33.7 | 0 | 0 | 0 | 111 | S125 | P123-S125 PolarHBondContact O-N 3.22Š|
| 124 | P | 55.8 | Low | 58 | Low | 119 Ų | 119 | 147.8 Ų | 147.8 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 135.4 | -178.3 | -28.9 | 35.6 | 0 | 0 | 0 | 113.9 | D126 | P124-D126 VanDerWaalsContact C-N 3.3Å; P124-D126 PolarHBondContact O-N 3.16Å |
| 125 | S | 55.3 | Low | 58.4 | Low | 114 Ų | 114 | 150.9 Ų | 150.9 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -82.6 | 6.4 | -167.9 | 44 | 0 | 0 | 0 | 0 | 115.8 | P123 F127 | P123-S125 PolarHBondContact O-N 3.22Å; S125-F127 VanDerWaalsContact C-N 3.29Å; S125-F127 PolarHBondContact O-N 3.1Å; S125-F127 VanDerWaalsContact O-N 3.13Å |
| 126 | D | 57.4 | Low | 59.3 | Low | 150 Ų | 150 | 147.6 Ų | 147.6 | 80% | 0.802 | 77% | 0.769 | S | S | * | * | trans | -85.4 | 35.1 | -174.3 | -80.1 | -51.6 | 0 | 0 | 0 | 115.3 | P124 K128 | P124-D126 VanDerWaalsContact C-N 3.3Å; P124-D126 PolarHBondContact O-N 3.16Å; D126-K128 PolarHBondContact O-N 3.07Å; D126-K128 VanDerWaalsContact O-N 3.09Å | ||
| 127 | F | 44.5 | Very low | 58.9 | Low | 199 Ų | 199 | 145.4 Ų | 145.4 | 87% | 0.873 | 77% | 0.77 | S | S | * | * | trans | -81 | 88.2 | 170.5 | -116.1 | -83.3 | 0 | 0 | 0 | 111.2 | S125 | S125-F127 VanDerWaalsContact C-N 3.29Å; S125-F127 PolarHBondContact O-N 3.1Å; S125-F127 VanDerWaalsContact O-N 3.13Å | ||
| 128 | K | 54.2 | Low | 58.5 | Low | 181 Ų | 181 | 148.3 Ų | 148.3 | 79% | 0.787 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 133.1 | 169.1 | -69.4 | -179.3 | 179.8 | 176.3 | 0 | 109.9 | D126 | D126-K128 PolarHBondContact O-N 3.07Å; D126-K128 VanDerWaalsContact O-N 3.09Å |
| 129 | P | 58.3 | Low | 57.5 | Low | 115 Ų | 115 | 151 Ų | 151 | 75% | 0.747 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 144.2 | 171.6 | 27.7 | -33.9 | 0 | 0 | 0 | 109.7 | ||
| 130 | P | 56.6 | Low | 57.4 | Low | 115 Ų | 115 | 151.4 Ų | 151.4 | 75% | 0.747 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 148.7 | 170.5 | 28.1 | -34.3 | 0 | 0 | 0 | 109.8 | I132 | P130-I132 PolarHBondContact O-N 2.97Š|
| 131 | P | 55.2 | Low | 56.4 | Low | 126 Ų | 126 | 148.1 Ų | 148.1 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 141.2 | 177.2 | 25.6 | -33.8 | 0 | 0 | 0 | 110.4 | Y133 | P131-Y133 PolarHBondContact O-N 2.91Š|
| 132 | I | 53.2 | Low | 54.7 | Low | 158 Ų | 158 | 147.5 Ų | 147.5 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 129.7 | 179.3 | -63.7 | 163.6 | 0 | 0 | 0 | 108.5 | P130 E134 | P130-I132 PolarHBondContact O-N 2.97Å; I132-E134 PolarHBondContact O-N 2.78Å |
| 133 | Y | 55.3 | Low | 53.1 | Low | 210 Ų | 210 | 144.9 Ų | 144.9 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 119.1 | 170.9 | -176.7 | -87.3 | 0 | 0 | 0 | 108.5 | P131 | P131-Y133 PolarHBondContact O-N 2.91Š|
| 134 | E | 61.3 | Low | 51.5 | Low | 161 Ų | 161 | 147.6 Ų | 147.6 | 75% | 0.752 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 135.4 | -179.3 | -70.7 | -87.7 | 114.5 | 0 | 0 | 112.2 | I132 P136 | I132-E134 PolarHBondContact O-N 2.78Å; E134-P136 VanDerWaalsContact O-CD 3.31Å; E134-P136 WeakPolarHBondContact O-CD 3.48Å |
| 135 | E | 57.4 | Low | 50.4 | Low | 169 Ų | 169 | 146.8 Ų | 146.8 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | trans | -75 | 112.5 | 168.5 | -177.1 | 175.7 | 174.9 | 0 | 0 | 108.7 | ||||
| 136 | P | 63.2 | Low | 49.3 | Very low | 99 Ų | 99 | 147 Ų | 147 | 64% | 0.643 | 79% | 0.793 | S | S | * | * | trans | -69 | 129 | -179.2 | 28.2 | -33.3 | 0 | 0 | 0 | 109.5 | E134 I138 | E134-P136 VanDerWaalsContact O-CD 3.31Å; E134-P136 WeakPolarHBondContact O-CD 3.48Å; P136-I138 PolarHBondContact O-N 3.24Å | ||
| 137 | P | 57.9 | Low | 48.2 | Very low | 125 Ų | 125 | 144.8 Ų | 144.8 | 81% | 0.812 | 79% | 0.79 | S | S | * | * | trans | -65.6 | 130.4 | -168.9 | 23.8 | -33.8 | 0 | 0 | 0 | 112.7 | D139 | P137-D139 PolarHBondContact O-N 2.68Š| ||
| 138 | I | 53.8 | Low | 47.7 | Very low | 152 Ų | 152 | 144.8 Ų | 144.8 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | trans | -63 | 108.1 | 159.5 | 34.3 | 167.1 | 0 | 0 | 0 | 109.9 | P136 | P136-I138 PolarHBondContact O-N 3.24Š| ||
| 139 | D | 44.4 | Very low | 46.9 | Very low | 164 Ų | 164 | 146.4 Ų | 146.4 | 88% | 0.877 | 79% | 0.786 | S | S | * | * | trans | -174.9 | 107.4 | 138.9 | -99.5 | -24.3 | 0 | 0 | 0 | 111 | P137 | P137-D139 PolarHBondContact O-N 2.68Š| ||
| 140 | M | 53.1 | Low | 45.6 | Very low | 183 Ų | 183 | 143.9 Ų | 143.9 | 90% | 0.901 | 78% | 0.782 | S | S | * | * | trans | -138.3 | 108.7 | 151.3 | -174.8 | 133.3 | 65.1 | 0 | 0 | 109.5 | ||||
| 141 | N | 43.7 | Very low | 44.4 | Very low | 137 Ų | 137 | 144.6 Ų | 144.6 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | trans | -76.2 | 124 | -176.3 | -164.1 | -24.3 | 0 | 0 | 0 | 110.1 | ||||
| 142 | L | 33.9 | Very low | 43.3 | Very low | 168 Ų | 168 | 144.7 Ų | 144.7 | 88% | 0.88 | 78% | 0.778 | S | S | * | * | trans | -134.6 | 69.2 | 174.4 | -164 | 75 | 0 | 0 | 0 | 110.9 | ||||
| 143 | S | 34.1 | Very low | 42.5 | Very low | 111 Ų | 111 | 145.9 Ų | 145.9 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | trans | -100.6 | 116.5 | 163.7 | -61 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 144 | D | 32.5 | Very low | 41.5 | Very low | 144 Ų | 144 | 141.4 Ų | 141.4 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | trans | -131.8 | 132 | 160 | -165.9 | -10.2 | 0 | 0 | 0 | 109.3 | ||||
| 145 | S | 32.7 | Very low | 41 | Very low | 101 Ų | 101 | 139 Ų | 139 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | trans | 48.4 | 106.1 | 166.2 | -63.8 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 146 | S | 31.8 | Very low | 39.7 | Very low | 118 Ų | 118 | 135.6 Ų | 135.6 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | -173 | 165.4 | 71.7 | 48.4 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 147 | S | 34.5 | Very low | 38.4 | Very low | 105 Ų | 105 | 141.3 Ų | 141.3 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | trans | 63.9 | 104.2 | 176.7 | -154.7 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 148 | R | 34.1 | Very low | 37.3 | Very low | 199 Ų | 199 | 144.9 Ų | 144.9 | 75% | 0.751 | 78% | 0.781 | S | S | * | * | 74.8 | 118.5 | 60.4 | -65.6 | -152.5 | -75.7 | -163 | -4.9 | 115.3 | |||||
| 149 | Y | 36.8 | Very low | 36.6 | Very low | 214 Ų | 214 | 142.8 Ų | 142.8 | 84% | 0.839 | 78% | 0.78 | S | S | * | * | trans | 66 | 133.1 | 174.3 | -43.1 | -76.5 | 0 | 0 | 0 | 116.3 | ||||
| 150 | G | 31.1 | Very low | 36.8 | Very low | 63 Ų | 63 | 140.7 Ų | 140.7 | 65% | 0.649 | 78% | 0.775 | S | S | * | * | cis | 175 | 145.1 | -11.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 151 | T | 32.6 | Very low | 35.9 | Very low | 129 Ų | 129 | 136.1 Ų | 136.1 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | trans | 56 | 128.5 | 154.7 | 47.6 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 152 | N | 30.9 | Very low | 36.4 | Very low | 128 Ų | 128 | 134 Ų | 134 | 68% | 0.684 | 76% | 0.761 | S | S | * | * | trans | 96.8 | 120.4 | 130.5 | -77.9 | -30.6 | 0 | 0 | 0 | 122.9 | ||||
| 153 | K | 36.4 | Very low | 36.3 | Very low | 184 Ų | 184 | 133.7 Ų | 133.7 | 80% | 0.8 | 75% | 0.752 | S | S | * | * | trans | 75.6 | 118.8 | 150.2 | -16.9 | -165.5 | -171.9 | -67 | 0 | 121.7 | ||||
| 154 | S | 35.3 | Very low | 36.1 | Very low | 115 Ų | 115 | 136.8 Ų | 136.8 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | trans | -90 | -167 | 148.6 | -36.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 155 | P | 51 | Low | 36.1 | Very low | 111 Ų | 111 | 137.6 Ų | 137.6 | 72% | 0.721 | 75% | 0.747 | S | S | * | * | cis | -135.4 | -178.6 | -11.3 | 39.9 | -22.7 | 0 | 0 | 0 | 114.6 | ||||
| 156 | S | 30.4 | Very low | 36.1 | Very low | 98 Ų | 98 | 137.7 Ų | 137.7 | 69% | 0.685 | 75% | 0.748 | S | S | * | * | 159.9 | 126.8 | 121.9 | -76 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 157 | R | 35 | Very low | 37.4 | Very low | 219 Ų | 219 | 137.8 Ų | 137.8 | 83% | 0.826 | 75% | 0.746 | S | S | * | * | trans | 49.7 | 113.1 | 131.2 | -60.3 | -177.1 | 175.1 | -128.1 | 3.8 | 122 | ||||
| 158 | K | 35.2 | Very low | 37.2 | Very low | 199 Ų | 199 | 142.3 Ų | 142.3 | 87% | 0.865 | 75% | 0.752 | S | S | * | * | 168 | 135.8 | 101.3 | -94.4 | 147.1 | -176.2 | -179.4 | 0 | 114.6 | |||||
| 159 | S | 39 | Very low | 37.1 | Very low | 109 Ų | 109 | 140.6 Ų | 140.6 | 76% | 0.762 | 75% | 0.753 | S | S | * | * | trans | -115.3 | 160.4 | 151.1 | 58.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 160 | P | 48.1 | Very low | 36.6 | Very low | 119 Ų | 119 | 135.3 Ų | 135.3 | 77% | 0.773 | 75% | 0.747 | S | S | * | * | -132.8 | 164 | 78.2 | 16.2 | 8.2 | 0 | 0 | 0 | 113 | |||||
| 161 | A | 35.9 | Very low | 36.7 | Very low | 88 Ų | 88 | 141.1 Ų | 141.1 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | cis | 78.1 | 159.4 | 40.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 162 | P | 53 | Low | 36.7 | Very low | 93 Ų | 93 | 140.6 Ų | 140.6 | 60% | 0.604 | 76% | 0.759 | S | S | * | * | cis | -139.6 | -163.2 | -12.9 | 21 | 7.5 | 0 | 0 | 0 | 114.8 | ||||
| 163 | F | 32.2 | Very low | 36.9 | Very low | 160 Ų | 160 | 139.6 Ų | 139.6 | 70% | 0.702 | 76% | 0.762 | S | S | * | * | trans | 79.6 | 150.5 | 156.9 | -53.9 | -42.7 | 0 | 0 | 0 | 119.8 | ||||
| 164 | Y | 30.8 | Very low | 36.5 | Very low | 176 Ų | 176 | 142.1 Ų | 142.1 | 69% | 0.69 | 77% | 0.768 | S | S | * | * | cis | -160.8 | 153.2 | -13.7 | -117.4 | -45.9 | 0 | 0 | 0 | 111.2 | ||||
| 165 | H | 31.8 | Very low | 36.4 | Very low | 161 Ų | 161 | 139.8 Ų | 139.8 | 75% | 0.745 | 76% | 0.762 | S | S | * | * | trans | 54.6 | 161.8 | 159.3 | -72.1 | -60.4 | 0 | 0 | 0 | 120.2 | ||||
| 166 | S | 32.4 | Very low | 35.7 | Very low | 103 Ų | 103 | 143.6 Ų | 143.6 | 72% | 0.72 | 77% | 0.77 | S | S | * | * | cis | 161.5 | 154.7 | -29.4 | -84.7 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 167 | P | 58.2 | Low | 36.5 | Very low | 121 Ų | 121 | 147.3 Ų | 147.3 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | trans | -120 | 156.3 | -148.7 | 40 | -29.6 | 0 | 0 | 0 | 117.4 | ||||
| 168 | K | 30.7 | Very low | 36.7 | Very low | 199 Ų | 199 | 143.1 Ų | 143.1 | 87% | 0.865 | 78% | 0.78 | S | S | * | * | trans | -156.1 | 165.3 | 158.2 | -64.5 | -168.6 | -177.3 | -177.3 | 0 | 109.1 | ||||
| 169 | Q | 32.7 | Very low | 37.1 | Very low | 164 Ų | 164 | 141.8 Ų | 141.8 | 77% | 0.766 | 78% | 0.781 | S | S | * | * | cis | 177.8 | 147.7 | -35.9 | -172.5 | -176.2 | -6.8 | 0 | 0 | 106.7 | ||||
| 170 | S | 26.4 | Very low | 37 | Very low | 103 Ų | 103 | 142.5 Ų | 142.5 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | trans | 71.7 | 163.7 | 161.9 | 86.8 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 171 | Q | 32.4 | Very low | 36.8 | Very low | 185 Ų | 185 | 149 Ų | 149 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | cis | -135.3 | 175.8 | 4.4 | -99 | -157.2 | -0.7 | 0 | 0 | 113.6 | ||||
| 172 | S | 32.5 | Very low | 36.9 | Very low | 118 Ų | 118 | 153.7 Ų | 153.7 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | trans | -63.3 | 169 | -179.6 | -169.2 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 173 | S | 35.2 | Very low | 35.8 | Very low | 106 Ų | 106 | 158.4 Ų | 158.4 | 74% | 0.741 | 81% | 0.808 | S | S | * | * | trans | -116.7 | 108.4 | 179.2 | 59.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 174 | Y | 28 | Very low | 35.7 | Very low | 237 Ų | 237 | 156.5 Ų | 156.5 | 93% | 0.929 | 81% | 0.813 | S | S | * | * | trans | -153 | 131.1 | 161.8 | -152.3 | -101.1 | 0 | 0 | 0 | 113 | ||||
| 175 | G | 32.5 | Very low | 35.8 | Very low | 66 Ų | 66 | 153.4 Ų | 153.4 | 68% | 0.68 | 82% | 0.815 | S | S | * | * | trans | 80.4 | 97.5 | 159 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 176 | Q | 37.9 | Very low | 35.9 | Very low | 192 Ų | 192 | 154.6 Ų | 154.6 | 90% | 0.897 | 82% | 0.821 | S | S | * | * | trans | -156.2 | 133.9 | 130.1 | -117.8 | 176.2 | 6.9 | 0 | 0 | 111.8 | ||||
| 177 | L | 46.4 | Very low | 36.1 | Very low | 176 Ų | 176 | 158.3 Ų | 158.3 | 92% | 0.921 | 82% | 0.824 | S | S | * | * | trans | -107.7 | 122.9 | 173.5 | -72.4 | 167.7 | 0 | 0 | 0 | 108.7 | ||||
| 178 | V | 38.6 | Very low | 34.9 | Very low | 130 Ų | 130 | 156.8 Ų | 156.8 | 79% | 0.788 | 82% | 0.822 | S | S | * | * | trans | -136.9 | 131.4 | 164.3 | -178.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 179 | L | 44.5 | Very low | 35.3 | Very low | 171 Ų | 171 | 156.4 Ų | 156.4 | 90% | 0.895 | 82% | 0.823 | S | S | * | * | trans | -84.7 | 124.7 | -179.3 | -70.7 | 161.4 | 0 | 0 | 0 | 111.2 | ||||
| 180 | T | 37.7 | Very low | 35.4 | Very low | 125 Ų | 125 | 153.6 Ų | 153.6 | 77% | 0.767 | 82% | 0.821 | S | S | * | * | trans | -137 | 144.7 | 152.7 | 59 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 181 | R | 43.1 | Very low | 36.5 | Very low | 255 Ų | 255 | 155 Ų | 155 | 96% | 0.962 | 82% | 0.82 | S | S | * | * | trans | -69.7 | 130.5 | 167.2 | -94.7 | -178.6 | 161.3 | -135.5 | 1.7 | 108.7 | ||||
| 182 | Q | 36.8 | Very low | 37.1 | Very low | 187 Ų | 187 | 153.3 Ų | 153.3 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | trans | -131.4 | 139.5 | 156.5 | -158.1 | 161.3 | 6.7 | 0 | 0 | 112 | ||||
| 183 | K | 31.4 | Very low | 37.8 | Very low | 192 Ų | 192 | 154.5 Ų | 154.5 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 125.6 | -167.7 | 178.9 | -178.7 | 177.5 | -176.7 | 0 | 109.5 | ||
| 184 | C | 28.6 | Very low | 38.9 | Very low | 119 Ų | 119 | 153.2 Ų | 153.2 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 130.9 | 175.7 | -62.5 | 0 | 0 | 0 | 0 | 111 | E186 | C184-E186 PolarHBondContact O-N 2.92Š|
| 185 | P | 33.7 | Very low | 40.2 | Very low | 112 Ų | 112 | 146.1 Ų | 146.1 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 117 | 170.4 | -12.3 | 28.6 | 0 | 0 | 0 | 110.5 | ||
| 186 | E | 34.1 | Very low | 41.4 | Very low | 186 Ų | 186 | 147 Ų | 147 | 87% | 0.869 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 139.5 | 165.8 | -176.5 | 177.3 | 174.6 | 0 | 0 | 110.2 | C184 | C184-E186 PolarHBondContact O-N 2.92Š|
| 187 | K | 36.1 | Very low | 42.8 | Very low | 180 Ų | 180 | 138.8 Ų | 138.8 | 78% | 0.783 | 73% | 0.733 | S | S | * | * | trans | -150.4 | 89.3 | 172.6 | 42.3 | -170.5 | 168.9 | -173.4 | 0 | 110 | Q189 | K187-Q189 PolarHBondContact O-N 3.06Š| ||
| 188 | A | 34.5 | Very low | 43.6 | Very low | 90 Ų | 90 | 135.2 Ų | 135.2 | 74% | 0.744 | 71% | 0.71 | S | S | * | * | trans | -58 | 127.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | S190 | A188-S190 PolarHBondContact O-N 3.16Š| ||
| 189 | Q | 37.5 | Very low | 44.6 | Very low | 190 Ų | 190 | 134.8 Ų | 134.8 | 89% | 0.888 | 70% | 0.699 | S | S | * | * | trans | -84.8 | 100.1 | 172.1 | -66.3 | -177.5 | 9.8 | 0 | 0 | 108 | K187 L191 | K187-Q189 PolarHBondContact O-N 3.06Å; Q189-L191 PolarHBondContact O-N 2.85Å; Q189-L191 VanDerWaalsContact O-N 3.08Å | ||
| 190 | S | 35.5 | Very low | 45 | Very low | 105 Ų | 105 | 133.4 Ų | 133.4 | 73% | 0.734 | 68% | 0.683 | S | S | * | * | trans | -62.2 | 108.3 | 172.8 | 50.1 | 0 | 0 | 0 | 0 | 109.4 | A188 E192 | A188-S190 PolarHBondContact O-N 3.16Å; S190-E192 PolarHBondContact O-N 3.42Å | ||
| 191 | L | 49.2 | Very low | 46.5 | Very low | 132 Ų | 132 | 131.5 Ų | 131.5 | 69% | 0.691 | 67% | 0.671 | S | S | * | * | trans | -78.6 | 71.1 | -176.7 | -151.9 | 158.4 | 0 | 0 | 0 | 109.7 | Q189 Y193 | Q189-L191 PolarHBondContact O-N 2.85Å; Q189-L191 VanDerWaalsContact O-N 3.08Å; L191-Y193 HydrophobicContact CD2-CD2 4.03Å; L191-Y193 HydrophobicContact CD2-CE1 4.39Å; L191-Y193 HydrophobicContact CD2-CE2 3.51Å; L191-Y193 WeakPolarHBondContact O-CD2 3.39Å; L191-Y193 PolarHBondContact O-N 3.15Å; L191-Y193 VanDerWaalsContact O-N 3.15Å | ||
| 192 | E | 44.9 | Very low | 47.4 | Very low | 151 Ų | 151 | 127.2 Ų | 127.2 | 71% | 0.706 | 66% | 0.659 | S | S | * | * | trans | -75.1 | 102.1 | -176.3 | 175.6 | 138.8 | -128.5 | 0 | 0 | 111 | S190 K198 | S190-E192 PolarHBondContact O-N 3.42Å; E192-K198 IonicContact OE1-NZ 2.81Å; E192-K198 PolarHBondContact OE1-NZ 2.91Å | ||
| 193 | Y | 47.9 | Very low | 48.2 | Very low | 143 Ų | 143 | 124.1 Ų | 124.1 | 56% | 0.561 | 65% | 0.645 | S | S | * | * | trans | -62.7 | 135.4 | 172.4 | -74.5 | -91.7 | 0 | 0 | 0 | 111.6 | L191 K198 | L191-Y193 HydrophobicContact CD2-CD2 4.03Å; L191-Y193 HydrophobicContact CD2-CE1 4.39Å; L191-Y193 HydrophobicContact CD2-CE2 3.51Å; L191-Y193 WeakPolarHBondContact O-CD2 3.39Å; L191-Y193 PolarHBondContact O-N 3.15Å; L191-Y193 VanDerWaalsContact O-N 3.15Å; Y193-K198 WeakPolarHBondContact O-CE 3.35Å; Y193-K198 PolarHBondContact O-NZ 2.95Å | ||
| 194 | S | 57.3 | Low | 49.7 | Very low | 78 Ų | 78 | 121.2 Ų | 121.2 | 55% | 0.545 | 64% | 0.638 | S | S | . | * | trans | -46 | 145 | 166.3 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | V196 G197 K198 | S194-V196 VanDerWaalsContact C-N 3.27Å; S194-V196 PolarHBondContact O-N 3.01Å; S194-G197 WeakPolarHBondContact O-CA 3.41Å; S194-G197 PolarHBondContact O-N 3.29Å; S194-K198 PolarHBondContact O-N 2.74Å | ||
| 195 | P | 56.8 | Low | 51 | Low | 89 Ų | 89 | 119.2 Ų | 119.2 | 58% | 0.578 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -47.5 | -47.6 | -179.1 | 15.4 | -30.5 | 0 | 0 | 0 | 113.2 | G197 K198 E199 | P195-G197 PolarHBondContact O-N 3.38Å; P195-K198 WeakPolarHBondContact O-CB 3.45Å; P195-K198 PolarHBondContact O-N 3.38Å; P195-E199 PolarHBondContact O-N 3.26Å |
| 196 | V | 56.2 | Low | 51.6 | Low | 83 Ų | 83 | 121.9 Ų | 121.9 | 50% | 0.503 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -53.1 | -39.3 | 175.9 | 173.9 | 0 | 0 | 0 | 0 | 112.6 | S194 E199 Y200 | S194-V196 VanDerWaalsContact C-N 3.27Å; S194-V196 PolarHBondContact O-N 3.01Å; V196-E199 PolarHBondContact O-N 2.64Å; V196-Y200 HydrophobicContact CG1-CD2 4.02Å; V196-Y200 HydrophobicContact CG1-CE2 3.62Å; V196-Y200 VanDerWaalsContact O-CD2 3.28Å; V196-Y200 WeakPolarHBondContact O-CD2 3.46Å; V196-Y200 PolarHBondContact O-N 2.78Å |
| 197 | G | 67.7 | Low | 52.4 | Low | 21 Ų | 21 | 118.1 Ų | 118.1 | 22% | 0.216 | 61% | 0.608 | C | S | . | * | H | α-helix | trans | -68.4 | -34 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | S194 P195 E199 V201 | S194-G197 WeakPolarHBondContact O-CA 3.41Å; S194-G197 PolarHBondContact O-N 3.29Å; P195-G197 PolarHBondContact O-N 3.38Å; G197-E199 PolarHBondContact O-N 3.15Å; G197-V201 WeakPolarHBondContact O-CG2 3.33Å; G197-V201 PolarHBondContact O-N 3.16Å |
| 198 | K | 63.3 | Low | 52.6 | Low | 100 Ų | 100 | 117 Ų | 117 | 44% | 0.435 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -67.8 | -23.5 | 176.3 | -66 | 168.6 | 173.1 | 160.3 | 0 | 111.5 | E192 Y193 S194 P195 K202 | E192-K198 IonicContact OE1-NZ 2.81Å; E192-K198 PolarHBondContact OE1-NZ 2.91Å; Y193-K198 WeakPolarHBondContact O-CE 3.35Å; Y193-K198 PolarHBondContact O-NZ 2.95Å; S194-K198 PolarHBondContact O-N 2.74Å; P195-K198 WeakPolarHBondContact O-CB 3.45Å; P195-K198 PolarHBondContact O-N 3.38Å; K198-K202 PolarHBondContact O-N 2.85Å |
| 199 | E | 59.8 | Low | 52.9 | Low | 122 Ų | 122 | 119.8 Ų | 119.8 | 57% | 0.57 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -81.4 | -43.7 | 178 | -63 | 176.5 | -116 | 0 | 0 | 112.6 | P195 V196 G197 V201 K202 Q203 | P195-E199 PolarHBondContact O-N 3.26Å; V196-E199 PolarHBondContact O-N 2.64Å; G197-E199 PolarHBondContact O-N 3.15Å; E199-V201 VanDerWaalsContact C-N 3.32Å; E199-V201 PolarHBondContact O-N 3.37Å; E199-K202 WeakPolarHBondContact O-CB 3.44Å; E199-K202 PolarHBondContact O-N 3.37Å; E199-K202 VanDerWaalsContact O-N 3.13Å; E199-Q203 PolarHBondContact O-N 3.34Å |
| 200 | Y | 53.3 | Low | 53 | Low | 142 Ų | 142 | 113.3 Ų | 113.3 | 56% | 0.557 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -60.7 | -38.3 | 173.3 | -76.1 | -66.4 | 0 | 0 | 0 | 112.9 | V196 K202 Q203 L204 | V196-Y200 HydrophobicContact CG1-CD2 4.02Å; V196-Y200 HydrophobicContact CG1-CE2 3.62Å; V196-Y200 VanDerWaalsContact O-CD2 3.28Å; V196-Y200 WeakPolarHBondContact O-CD2 3.46Å; V196-Y200 PolarHBondContact O-N 2.78Å; Y200-K202 VanDerWaalsContact C-N 3.32Å; Y200-K202 PolarHBondContact O-N 3.29Å; Y200-Q203 PolarHBondContact O-N 2.77Å; Y200-L204 WeakPolarHBondContact O-CG 3.42Å; Y200-L204 PolarHBondContact O-N 3.39Å |
| 201 | V | 68.9 | Low | 52.9 | Low | 84 Ų | 84 | 113.6 Ų | 113.6 | 51% | 0.509 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -62.7 | -38.6 | 174.9 | 172.8 | 0 | 0 | 0 | 0 | 111.3 | G197 E199 V205 | G197-V201 WeakPolarHBondContact O-CG2 3.33Å; G197-V201 PolarHBondContact O-N 3.16Å; E199-V201 VanDerWaalsContact C-N 3.32Å; E199-V201 PolarHBondContact O-N 3.37Å; V201-V205 WeakPolarHBondContact O-CG2 3.43Å; V201-V205 PolarHBondContact O-N 3.41Å |
| 202 | K | 61.3 | Low | 52.4 | Low | 165 Ų | 165 | 111.8 Ų | 111.8 | 72% | 0.717 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -64.8 | -41.4 | 173.2 | -83.4 | -176.9 | 171.9 | -178.8 | 0 | 112.5 | K198 E199 Y200 V205 Y206 | K198-K202 PolarHBondContact O-N 2.85Å; E199-K202 WeakPolarHBondContact O-CB 3.44Å; E199-K202 PolarHBondContact O-N 3.37Å; E199-K202 VanDerWaalsContact O-N 3.13Å; Y200-K202 VanDerWaalsContact C-N 3.32Å; Y200-K202 PolarHBondContact O-N 3.29Å; K202-V205 PolarHBondContact O-N 3.24Å; K202-Y206 VanDerWaalsContact O-CB 3.31Å; K202-Y206 WeakPolarHBondContact O-CB 3.47Å; K202-Y206 PolarHBondContact O-N 3.01Å |
| 203 | Q | 55.2 | Low | 51.8 | Low | 123 Ų | 123 | 109.4 Ų | 109.4 | 58% | 0.575 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -62 | -44.3 | 177.6 | -72.3 | -176.1 | -12.1 | 0 | 0 | 111.8 | E199 Y200 V205 Y206 V207 | E199-Q203 PolarHBondContact O-N 3.34Å; Y200-Q203 PolarHBondContact O-N 2.77Å; Q203-V205 PolarHBondContact O-N 3.14Å; Q203-Y206 PolarHBondContact O-N 3.17Å; Q203-V207 WeakPolarHBondContact O-CB 3.39Å; Q203-V207 VanDerWaalsContact O-CG2 3.27Å; Q203-V207 WeakPolarHBondContact O-CG2 3.44Å; Q203-V207 PolarHBondContact O-N 3.12Å |
| 204 | L | 61.6 | Low | 51.3 | Low | 130 Ų | 130 | 108.1 Ų | 108.1 | 68% | 0.681 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -58.9 | -47.7 | 176.7 | -72.3 | 165.9 | 0 | 0 | 0 | 112.1 | Y200 E208 | Y200-L204 WeakPolarHBondContact O-CG 3.42Å; Y200-L204 PolarHBondContact O-N 3.39Å; L204-E208 PolarHBondContact O-N 3.1Å |
| 205 | V | 56.4 | Low | 50.2 | Low | 78 Ų | 78 | 115.3 Ų | 115.3 | 47% | 0.473 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -67.3 | -36.1 | 179.4 | 174.4 | 0 | 0 | 0 | 0 | 112.3 | V201 K202 Q203 Q209 | V201-V205 WeakPolarHBondContact O-CG2 3.43Å; V201-V205 PolarHBondContact O-N 3.41Å; K202-V205 PolarHBondContact O-N 3.24Å; Q203-V205 PolarHBondContact O-N 3.14Å; V205-Q209 PolarHBondContact O-N 3.04Å |
| 206 | Y | 45.3 | Very low | 49.2 | Very low | 167 Ų | 167 | 120.1 Ų | 120.1 | 66% | 0.655 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -75.2 | -33.8 | -179.8 | -167.2 | -106.1 | 0 | 0 | 0 | 113 | K202 Q203 Q209 S210 | K202-Y206 VanDerWaalsContact O-CB 3.31Å; K202-Y206 WeakPolarHBondContact O-CB 3.47Å; K202-Y206 PolarHBondContact O-N 3.01Å; Q203-Y206 PolarHBondContact O-N 3.17Å; Y206-Q209 PolarHBondContact O-N 3.24Å; Y206-S210 VanDerWaalsContact O-CB 3.28Å; Y206-S210 WeakPolarHBondContact O-CB 3.46Å; Y206-S210 PolarHBondContact O-N 3.06Å; Y206-S210 VanDerWaalsContact O-N 3.07Å; Y206-S210 PolarHBondContact O-OG 3.48Å |
| 207 | V | 50.9 | Low | 48.3 | Very low | 107 Ų | 107 | 125.5 Ų | 125.5 | 65% | 0.648 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -64.4 | -39.8 | 175.5 | 166.5 | 0 | 0 | 0 | 0 | 111.6 | Q203 S210 | Q203-V207 WeakPolarHBondContact O-CB 3.39Å; Q203-V207 VanDerWaalsContact O-CG2 3.27Å; Q203-V207 WeakPolarHBondContact O-CG2 3.44Å; Q203-V207 PolarHBondContact O-N 3.12Å; V207-S210 PolarHBondContact O-N 3.37Å |
| 208 | E | 42.1 | Very low | 46.7 | Very low | 156 Ų | 156 | 130.6 Ų | 130.6 | 73% | 0.729 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -65 | -42.7 | 179 | -167.2 | 168.9 | -172.8 | 0 | 0 | 111.9 | L204 S210 S211 | L204-E208 PolarHBondContact O-N 3.1Å; E208-S210 VanDerWaalsContact C-N 3.3Å; E208-S210 PolarHBondContact O-N 3.01Å; E208-S211 PolarHBondContact O-OG 3.19Å |
| 209 | Q | 40.3 | Very low | 45.3 | Very low | 150 Ų | 150 | 130.2 Ų | 130.2 | 70% | 0.701 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -72.5 | -19 | 176.1 | -65.1 | -173.9 | 2.9 | 0 | 0 | 113.9 | V205 Y206 S211 | V205-Q209 PolarHBondContact O-N 3.04Å; Y206-Q209 PolarHBondContact O-N 3.24Å; Q209-S211 VanDerWaalsContact C-N 3.31Å; Q209-S211 PolarHBondContact O-N 3.07Å |
| 210 | S | 39.2 | Very low | 44.1 | Very low | 54 Ų | 54 | 131.6 Ų | 131.6 | 38% | 0.378 | 69% | 0.686 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.7 | 11 | -177.7 | -61.6 | 0 | 0 | 0 | 0 | 114.4 | Y206 V207 E208 S212 | Y206-S210 VanDerWaalsContact O-CB 3.28Å; Y206-S210 WeakPolarHBondContact O-CB 3.46Å; Y206-S210 PolarHBondContact O-N 3.06Å; Y206-S210 VanDerWaalsContact O-N 3.07Å; Y206-S210 PolarHBondContact O-OG 3.48Å; V207-S210 PolarHBondContact O-N 3.37Å; E208-S210 VanDerWaalsContact C-N 3.3Å; E208-S210 PolarHBondContact O-N 3.01Å; S210-S212 PolarHBondContact O-N 2.78Å |
| 211 | S | 34.1 | Very low | 43.1 | Very low | 111 Ų | 111 | 135.3 Ų | 135.3 | 78% | 0.776 | 70% | 0.699 | S | S | * | * | trans | -73.2 | 9.7 | 179.8 | 54.8 | 0 | 0 | 0 | 0 | 115.1 | E208 Q209 | E208-S211 PolarHBondContact O-OG 3.19Å; Q209-S211 VanDerWaalsContact C-N 3.31Å; Q209-S211 PolarHBondContact O-N 3.07Å | ||
| 212 | S | 37.3 | Very low | 41.3 | Very low | 94 Ų | 94 | 138.3 Ų | 138.3 | 66% | 0.657 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -83.4 | 126.1 | 167.4 | 68 | 0 | 0 | 0 | 0 | 111.1 | S210 P214 | S210-S212 PolarHBondContact O-N 2.78Å; S212-P214 WeakPolarHBondContact O-CD 3.48Å |
| 213 | S | 33.7 | Very low | 39.9 | Very low | 100 Ų | 100 | 136 Ų | 136 | 70% | 0.699 | 70% | 0.704 | S | S | * | * | trans | -63.4 | 123.8 | -169.1 | 177.4 | 0 | 0 | 0 | 0 | 113.7 | R215 | S213-R215 VanDerWaalsContact C-N 3.34Å; S213-R215 PolarHBondContact O-N 3.17Å | ||
| 214 | P | 36.9 | Very low | 38.7 | Very low | 116 Ų | 116 | 139.6 Ų | 139.6 | 75% | 0.753 | 71% | 0.712 | S | S | * | * | trans | -68.7 | 90.2 | 164.9 | -16.5 | 31.7 | 0 | 0 | 0 | 110 | S212 F216 | S212-P214 WeakPolarHBondContact O-CD 3.48Å; P214-F216 PolarHBondContact O-N 2.84Å | ||
| 215 | R | 33.8 | Very low | 37.3 | Very low | 229 Ų | 229 | 145.1 Ų | 145.1 | 86% | 0.864 | 73% | 0.726 | S | S | * | * | trans | -65.6 | 99.3 | 172.4 | -83 | -176.9 | 169 | 161.6 | -3.4 | 110 | S213 K217 | S213-R215 VanDerWaalsContact C-N 3.34Å; S213-R215 PolarHBondContact O-N 3.17Å; R215-K217 PolarHBondContact O-N 2.95Å | ||
| 216 | F | 35 | Very low | 36 | Very low | 190 Ų | 190 | 144.3 Ų | 144.3 | 83% | 0.833 | 73% | 0.733 | S | S | * | * | trans | -62 | 98.7 | 168.3 | -114.8 | -93.9 | 0 | 0 | 0 | 109.9 | P214 T218 | P214-F216 PolarHBondContact O-N 2.84Å; F216-T218 PolarHBondContact O-N 3.47Å | ||
| 217 | K | 37.7 | Very low | 35.3 | Very low | 197 Ų | 197 | 142.5 Ų | 142.5 | 86% | 0.857 | 74% | 0.739 | S | S | * | * | trans | -76.9 | 91.3 | 162.7 | -79.4 | -172.6 | 174 | -176.5 | 0 | 108.1 | R215 A219 | R215-K217 PolarHBondContact O-N 2.95Å; K217-A219 PolarHBondContact O-N 3.17Å | ||
| 218 | T | 34.2 | Very low | 34.4 | Very low | 127 Ų | 127 | 144.9 Ų | 144.9 | 78% | 0.779 | 75% | 0.749 | S | S | * | * | trans | -65.5 | 101.8 | 164.8 | -53.1 | 0 | 0 | 0 | 0 | 108.1 | F216 D220 | F216-T218 PolarHBondContact O-N 3.47Å; T218-D220 PolarHBondContact O-N 3.47Å | ||
| 219 | A | 35.1 | Very low | 33.9 | Very low | 92 Ų | 92 | 141.6 Ų | 141.6 | 76% | 0.76 | 76% | 0.757 | S | S | * | * | trans | -76.1 | 115.4 | 177 | 0 | 0 | 0 | 0 | 0 | 109.6 | K217 R221 | K217-A219 PolarHBondContact O-N 3.17Å; A219-R221 PolarHBondContact O-N 3.47Å | ||
| 220 | D | 34.7 | Very low | 33.5 | Very low | 152 Ų | 152 | 138.2 Ų | 138.2 | 81% | 0.813 | 76% | 0.762 | S | S | * | * | trans | -67.3 | 110.1 | 173.8 | 172 | 21.8 | 0 | 0 | 0 | 110.8 | T218 | T218-D220 PolarHBondContact O-N 3.47Š| ||
| 221 | R | 31.1 | Very low | 33.3 | Very low | 219 Ų | 219 | 146.2 Ų | 146.2 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | trans | -161.8 | 61.1 | 162.8 | -148.3 | -179.6 | -175.6 | -165.2 | 0.5 | 117 | A219 | A219-R221 PolarHBondContact O-N 3.47Š| ||
| 222 | L | 30.9 | Very low | 33.2 | Very low | 148 Ų | 148 | 144.7 Ų | 144.7 | 78% | 0.775 | 79% | 0.792 | S | S | * | * | trans | -146.5 | 75.4 | 153.7 | -143.3 | 70.7 | 0 | 0 | 0 | 112 | ||||
| 223 | Q | 32.5 | Very low | 32.9 | Very low | 117 Ų | 117 | 142.7 Ų | 142.7 | 55% | 0.547 | 79% | 0.786 | S | S | . | * | 76.5 | 112.6 | 103 | -74.1 | -175.8 | 41.4 | 0 | 0 | 116.6 | |||||
| 224 | R | 30.3 | Very low | 33.1 | Very low | 197 Ų | 197 | 144 Ų | 144 | 74% | 0.743 | 80% | 0.795 | S | S | * | * | trans | 55.8 | 94.1 | 136.8 | -60.6 | -174.2 | -75.3 | -160.1 | -1.4 | 117.8 | ||||
| 225 | Y | 32 | Very low | 33.2 | Very low | 247 Ų | 247 | 147.2 Ų | 147.2 | 97% | 0.969 | 80% | 0.798 | S | S | * | * | -137.2 | 174.2 | 96.8 | -84.6 | -78.1 | 0 | 0 | 0 | 108.1 | |||||
| 226 | G | 29.2 | Very low | 33.3 | Very low | 61 Ų | 61 | 140.7 Ų | 140.7 | 63% | 0.629 | 80% | 0.801 | S | S | * | * | trans | -162.3 | -144.1 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 227 | T | 30.3 | Very low | 33.1 | Very low | 129 Ų | 129 | 134.5 Ų | 134.5 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | trans | 87.1 | 137 | -176.5 | 77.5 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 228 | N | 32.2 | Very low | 32.9 | Very low | 157 Ų | 157 | 131.5 Ų | 131.5 | 84% | 0.84 | 80% | 0.795 | S | S | * | * | trans | 59.3 | 98.3 | 153.4 | -51.6 | -9.2 | 0 | 0 | 0 | 118.1 | ||||
| 229 | G | 32.2 | Very low | 32.9 | Very low | 87 Ų | 87 | 134.6 Ų | 134.6 | 90% | 0.897 | 79% | 0.794 | S | S | * | * | cis | 93.4 | 123.4 | 43.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 230 | G | 30.3 | Very low | 33.1 | Very low | 79 Ų | 79 | 136.3 Ų | 136.3 | 81% | 0.814 | 80% | 0.795 | S | S | * | * | trans | 176.4 | 135.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 231 | F | 34.9 | Very low | 33 | Very low | 221 Ų | 221 | 135.6 Ų | 135.6 | 97% | 0.969 | 79% | 0.791 | S | S | * | * | trans | -89.3 | 143.1 | -174.9 | -82.1 | -108 | 0 | 0 | 0 | 113.9 | ||||
| 232 | G | 32.5 | Very low | 33.3 | Very low | 79 Ų | 79 | 133.4 Ų | 133.4 | 81% | 0.814 | 79% | 0.79 | S | S | * | * | trans | 86.8 | 159.2 | 135.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 233 | G | 31.1 | Very low | 33.4 | Very low | 52 Ų | 52 | 134.3 Ų | 134.3 | 54% | 0.536 | 79% | 0.79 | S | S | . | * | trans | 119.5 | 99.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 234 | S | 38.4 | Very low | 33.4 | Very low | 127 Ų | 127 | 133.5 Ų | 133.5 | 89% | 0.888 | 80% | 0.797 | S | S | * | * | trans | -84.8 | 111.7 | 163.5 | -69.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 235 | F | 38.4 | Very low | 33.5 | Very low | 185 Ų | 185 | 133.2 Ų | 133.2 | 81% | 0.811 | 80% | 0.804 | S | S | * | * | trans | -132.5 | 121.9 | 169.9 | -34.3 | -71.6 | 0 | 0 | 0 | 109.2 | ||||
| 236 | G | 35.5 | Very low | 33.6 | Very low | 91 Ų | 91 | 127.1 Ų | 127.1 | 94% | 0.938 | 80% | 0.798 | S | S | * | * | trans | -79.7 | 131 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 237 | G | 30.5 | Very low | 34 | Very low | 61 Ų | 61 | 132.7 Ų | 132.7 | 63% | 0.629 | 81% | 0.812 | S | S | * | * | trans | -152.5 | 99.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y239 | G237-Y239 PolarHBondContact O-N 3.15Š| ||
| 238 | S | 33.8 | Very low | 34.3 | Very low | 133 Ų | 133 | 134.1 Ų | 134.1 | 93% | 0.93 | 81% | 0.814 | S | S | * | * | trans | -71.5 | 122.3 | 176.9 | -58.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 239 | Y | 35.1 | Very low | 34.5 | Very low | 192 Ų | 192 | 138.2 Ų | 138.2 | 75% | 0.753 | 82% | 0.817 | S | S | * | * | trans | -121.4 | 114.7 | 168.9 | 58.1 | -88.3 | 0 | 0 | 0 | 110.5 | G237 L241 | G237-Y239 PolarHBondContact O-N 3.15Å; Y239-L241 HydrophobicContact CD2-CD1 4.13Å; Y239-L241 HydrophobicContact CD2-CG 4.16Å; Y239-L241 HydrophobicContact CE2-CD1 4.05Å; Y239-L241 PolarHBondContact O-N 3.31Å | ||
| 240 | T | 38.3 | Very low | 34.6 | Very low | 129 Ų | 129 | 141.5 Ų | 141.5 | 79% | 0.791 | 81% | 0.814 | S | S | * | * | trans | -87.5 | 101.2 | 168.2 | 39 | 0 | 0 | 0 | 0 | 108.5 | Q242 | T240-Q242 VanDerWaalsContact C-N 3.33Å; T240-Q242 PolarHBondContact O-N 3.49Å | ||
| 241 | L | 33.3 | Very low | 34.9 | Very low | 137 Ų | 137 | 142.6 Ų | 142.6 | 72% | 0.717 | 81% | 0.807 | S | S | * | * | trans | -68.9 | 87.9 | 177.9 | -99.2 | 165 | 0 | 0 | 0 | 111.1 | Y239 H243 | Y239-L241 HydrophobicContact CD2-CD1 4.13Å; Y239-L241 HydrophobicContact CD2-CG 4.16Å; Y239-L241 HydrophobicContact CE2-CD1 4.05Å; Y239-L241 PolarHBondContact O-N 3.31Å; L241-H243 PolarHBondContact O-N 3.38Å | ||
| 242 | Q | 36.7 | Very low | 34.8 | Very low | 172 Ų | 172 | 143.3 Ų | 143.3 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | -63.2 | 121.6 | 164.1 | -75.8 | -69.2 | -18.1 | 0 | 0 | 109.1 | T240 S244 | T240-Q242 VanDerWaalsContact C-N 3.33Å; T240-Q242 PolarHBondContact O-N 3.49Å; Q242-S244 PolarHBondContact O-N 3.05Å | ||
| 243 | H | 33.4 | Very low | 34.8 | Very low | 167 Ų | 167 | 149.1 Ų | 149.1 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | trans | -76.8 | 114.8 | -176.6 | -98.7 | -103.8 | 0 | 0 | 0 | 111.8 | L241 | L241-H243 PolarHBondContact O-N 3.38Š| ||
| 244 | S | 32.6 | Very low | 34.8 | Very low | 101 Ų | 101 | 154.2 Ų | 154.2 | 71% | 0.706 | 82% | 0.823 | S | S | * | * | trans | 42.1 | 101.9 | 149.2 | 57.3 | 0 | 0 | 0 | 0 | 118 | Q242 | Q242-S244 PolarHBondContact O-N 3.05Š| ||
| 245 | Q | 33.1 | Very low | 34.7 | Very low | 191 Ų | 191 | 154.6 Ų | 154.6 | 89% | 0.893 | 81% | 0.814 | S | S | * | * | trans | -60.6 | 146.2 | 157.9 | -70.4 | -176.9 | -4.5 | 0 | 0 | 111.2 | ||||
| 246 | S | 34.5 | Very low | 34.4 | Very low | 119 Ų | 119 | 152.1 Ų | 152.1 | 83% | 0.832 | 81% | 0.81 | S | S | * | * | trans | -70.1 | 128.8 | 175.6 | -59.3 | 0 | 0 | 0 | 0 | 112 | I248 | S246-I248 PolarHBondContact O-N 3.28Š| ||
| 247 | L | 36.2 | Very low | 34.2 | Very low | 177 Ų | 177 | 157.6 Ų | 157.6 | 93% | 0.927 | 80% | 0.803 | S | S | * | * | trans | -76.5 | 102.9 | 175.5 | -69.9 | 172 | 0 | 0 | 0 | 111.7 | ||||
| 248 | I | 36.6 | Very low | 34.2 | Very low | 160 Ų | 160 | 166 Ų | 166 | 82% | 0.821 | 82% | 0.816 | S | S | * | * | trans | -124.4 | 122.8 | 154.6 | -62.2 | -177.9 | 0 | 0 | 0 | 107.4 | S246 | S246-I248 PolarHBondContact O-N 3.28Š| ||
| 249 | R | 37.1 | Very low | 34.1 | Very low | 243 Ų | 243 | 162.8 Ų | 162.8 | 92% | 0.917 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 118.6 | 179.2 | -104.5 | 177.8 | 170 | 163.3 | -4.3 | 110 | ||
| 250 | D | 33.4 | Very low | 33.9 | Very low | 156 Ų | 156 | 162.9 Ų | 162.9 | 83% | 0.834 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 126 | 163.4 | -170.1 | 18.3 | 0 | 0 | 0 | 109.7 | ||
| 251 | P | 37.7 | Very low | 33.7 | Very low | 101 Ų | 101 | 160.1 Ų | 160.1 | 66% | 0.656 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -92.2 | 128.7 | -179.2 | 34.2 | -32.6 | 0 | 0 | 0 | 113 | ||
| 252 | R | 32.8 | Very low | 33.6 | Very low | 237 Ų | 237 | 157.3 Ų | 157.3 | 89% | 0.894 | 81% | 0.813 | S | S | * | * | trans | 87.5 | 84.9 | 161.1 | -45.7 | 167.3 | 83.9 | 108.3 | 6.2 | 117.9 | ||||
| 253 | Q | 31.9 | Very low | 33.5 | Very low | 201 Ų | 201 | 158.9 Ų | 158.9 | 94% | 0.939 | 82% | 0.82 | S | S | * | * | -139.2 | 131 | 127.2 | -68.5 | -161.8 | 9.7 | 0 | 0 | 109.6 | |||||
| 254 | L | 31.8 | Very low | 33.4 | Very low | 159 Ų | 159 | 154.5 Ų | 154.5 | 83% | 0.832 | 82% | 0.82 | S | S | * | * | trans | -161.2 | 132 | 175.2 | -173.3 | 101.3 | 0 | 0 | 0 | 109.8 | ||||
| 255 | L | 35.3 | Very low | 33.3 | Very low | 134 Ų | 134 | 155 Ų | 155 | 70% | 0.702 | 82% | 0.823 | S | S | * | * | trans | 59.1 | 96.9 | 162.6 | -101.5 | 60.4 | 0 | 0 | 0 | 119.5 | ||||
| 256 | D | 33.2 | Very low | 33.2 | Very low | 133 Ų | 133 | 152.8 Ų | 152.8 | 71% | 0.711 | 81% | 0.813 | S | S | * | * | 50.5 | 136.2 | 105.6 | -55.1 | -48.9 | 0 | 0 | 0 | 123.3 | |||||
| 257 | Y | 31.7 | Very low | 32.9 | Very low | 207 Ų | 207 | 156.4 Ų | 156.4 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | trans | 77.7 | 113.2 | 139 | -102.9 | -116.8 | 0 | 0 | 0 | 122.6 | ||||
| 258 | R | 29.8 | Very low | 32.4 | Very low | 237 Ų | 237 | 156.8 Ų | 156.8 | 89% | 0.894 | 80% | 0.803 | S | S | * | * | 75.5 | 125.8 | 126 | -167 | -173.1 | -150.9 | -131.2 | 3.6 | 120 | |||||
| 259 | G | 31 | Very low | 32.1 | Very low | 65 Ų | 65 | 156.2 Ų | 156.2 | 67% | 0.67 | 80% | 0.8 | S | S | * | * | trans | 164.9 | 102.2 | 151.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 260 | E | 32.4 | Very low | 31.5 | Very low | 194 Ų | 194 | 154.3 Ų | 154.3 | 91% | 0.907 | 80% | 0.799 | S | S | * | * | trans | 54.3 | 170 | 151.5 | -66.7 | -58.5 | 106.3 | 0 | 0 | 121 | ||||
| 261 | G | 33.3 | Very low | 31.2 | Very low | 72 Ų | 72 | 154.5 Ų | 154.5 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | trans | -131.5 | 176.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 262 | G | 32.3 | Very low | 30.9 | Very low | 78 Ų | 78 | 156.7 Ų | 156.7 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | 134.3 | 93.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 263 | E | 33.1 | Very low | 30.9 | Very low | 205 Ų | 205 | 149.7 Ų | 149.7 | 96% | 0.958 | 79% | 0.788 | S | S | * | * | trans | 15.5 | 124.6 | 143.5 | -163.6 | 175.3 | -178.3 | 0 | 0 | 119.6 | ||||
| 264 | G | 31.5 | Very low | 30.8 | Very low | 74 Ų | 74 | 146.9 Ų | 146.9 | 76% | 0.763 | 78% | 0.778 | S | S | * | * | trans | 178.4 | 33.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 265 | S | 30.6 | Very low | 30.7 | Very low | 111 Ų | 111 | 144.1 Ų | 144.1 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | trans | 22.1 | 107.8 | 160.5 | -167.8 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 266 | Q | 30.1 | Very low | 30.3 | Very low | 145 Ų | 145 | 149.1 Ų | 149.1 | 68% | 0.678 | 78% | 0.782 | S | S | * | * | 178.5 | 132.7 | 110.2 | -97.8 | -169.1 | 93 | 0 | 0 | 114.1 | |||||
| 267 | R | 29.6 | Very low | 30 | Very low | 195 Ų | 195 | 148.7 Ų | 148.7 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | trans | 36.5 | 135 | 149.5 | -35.6 | 179.6 | -165.2 | -119.9 | -1.3 | 119.2 | ||||
| 268 | F | 26.4 | Very low | 29.9 | Very low | 186 Ų | 186 | 143.9 Ų | 143.9 | 82% | 0.816 | 78% | 0.781 | S | S | * | * | cis | -148.9 | 172.7 | 38.6 | -111.2 | -79.8 | 0 | 0 | 0 | 113.8 | ||||
| 269 | I | 28.4 | Very low | 29.8 | Very low | 148 Ų | 148 | 137.6 Ų | 137.6 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | trans | -96 | 138.5 | -171.5 | -70.2 | 162.3 | 0 | 0 | 0 | 112.1 | ||||
| 270 | F | 24.9 | Very low | 29.9 | Very low | 203 Ų | 203 | 143.7 Ų | 143.7 | 89% | 0.89 | 78% | 0.784 | S | S | * | * | -157.5 | 142.2 | 121.7 | -147.8 | -101.1 | 0 | 0 | 0 | 112.5 | |||||
| 271 | E | 28 | Very low | 29.8 | Very low | 159 Ų | 159 | 140.2 Ų | 140.2 | 74% | 0.743 | 78% | 0.776 | S | S | * | * | trans | -123.6 | 152 | -179.5 | -175.1 | 179.6 | -178.1 | 0 | 0 | 109.5 | ||||
| 272 | D | 32.1 | Very low | 29.6 | Very low | 148 Ų | 148 | 145.4 Ų | 145.4 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | trans | -85.7 | 119 | 179.3 | 179.5 | 21.9 | 0 | 0 | 0 | 111.6 | ||||
| 273 | S | 32.2 | Very low | 29.4 | Very low | 90 Ų | 90 | 147.5 Ų | 147.5 | 63% | 0.629 | 78% | 0.783 | S | S | * | * | trans | -174.1 | 122 | 160.7 | -92.6 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 274 | I | 30.4 | Very low | 29.4 | Very low | 142 Ų | 142 | 145.3 Ų | 145.3 | 73% | 0.728 | 78% | 0.777 | S | S | * | * | trans | 63.8 | 144.2 | 133.9 | -42.7 | 158.8 | 0 | 0 | 0 | 119.8 | ||||
| 275 | S | 27.8 | Very low | 29.3 | Very low | 100 Ų | 100 | 147.8 Ų | 147.8 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | trans | 71.7 | 161.6 | 171.3 | -71.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 276 | W | 27.4 | Very low | 29.2 | Very low | 239 Ų | 239 | 148.1 Ų | 148.1 | 91% | 0.905 | 79% | 0.785 | S | S | * | * | cis | -139.9 | 171.7 | 35.3 | -85.6 | 68.5 | 0 | 0 | 0 | 115.1 | ||||
| 277 | T | 28.1 | Very low | 29.2 | Very low | 124 Ų | 124 | 146.4 Ų | 146.4 | 76% | 0.761 | 79% | 0.789 | S | S | * | * | trans | -109 | 154 | 179.9 | 55.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 278 | S | 28.8 | Very low | 29.3 | Very low | 106 Ų | 106 | 142 Ų | 142 | 74% | 0.741 | 79% | 0.788 | S | S | * | * | trans | 72.2 | 151.7 | 149.7 | -152.1 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 279 | S | 27.8 | Very low | 29.7 | Very low | 105 Ų | 105 | 138.5 Ų | 138.5 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | trans | 65.6 | 108 | 150.1 | -55.8 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 280 | Q | 32 | Very low | 30.1 | Very low | 193 Ų | 193 | 138.5 Ų | 138.5 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | trans | -116.7 | 143.7 | 140.2 | -170.6 | 165 | 73.4 | 0 | 0 | 108.9 | ||||
| 281 | T | 30.3 | Very low | 30.6 | Very low | 122 Ų | 122 | 133.7 Ų | 133.7 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | trans | -95.5 | 156.4 | -159.3 | 43.5 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 282 | H | 29.9 | Very low | 30.8 | Very low | 180 Ų | 180 | 129.6 Ų | 129.6 | 83% | 0.833 | 79% | 0.792 | S | S | * | * | trans | -84.8 | 144.7 | 167.3 | -53.3 | -83.4 | 0 | 0 | 0 | 110.4 | ||||
| 283 | S | 27.9 | Very low | 31.5 | Very low | 122 Ų | 122 | 129 Ų | 129 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | trans | -126.3 | 138.9 | 163.7 | -72.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 284 | L | 34.2 | Very low | 31.4 | Very low | 159 Ų | 159 | 128.7 Ų | 128.7 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | trans | -103.9 | 148.9 | -171.4 | -62.2 | 168.2 | 0 | 0 | 0 | 111.7 | ||||
| 285 | S | 28.3 | Very low | 31.5 | Very low | 126 Ų | 126 | 124.7 Ų | 124.7 | 88% | 0.881 | 80% | 0.801 | S | S | * | * | trans | -162 | 149.4 | 149.6 | -82.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 286 | S | 28.8 | Very low | 31.7 | Very low | 119 Ų | 119 | 130 Ų | 130 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | trans | -134.2 | 140.7 | -158.1 | -55.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 287 | S | 29.6 | Very low | 32.4 | Very low | 109 Ų | 109 | 124 Ų | 124 | 76% | 0.762 | 81% | 0.807 | S | S | * | * | trans | -160.8 | 107.2 | 155.5 | 42.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 288 | S | 32.2 | Very low | 33.3 | Very low | 101 Ų | 101 | 124 Ų | 124 | 71% | 0.706 | 81% | 0.808 | S | S | * | * | 78.3 | 78.3 | 71.1 | 74.8 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 289 | S | 33.8 | Very low | 33.3 | Very low | 114 Ų | 114 | 124.3 Ų | 124.3 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | trans | 35.9 | 121.5 | 136.1 | 58.5 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 290 | T | 37.5 | Very low | 33.5 | Very low | 148 Ų | 148 | 123.1 Ų | 123.1 | 91% | 0.908 | 81% | 0.808 | S | S | * | * | trans | -146.1 | 149.2 | 141.9 | -62 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 291 | A | 35.6 | Very low | 33.6 | Very low | 101 Ų | 101 | 121 Ų | 121 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | trans | -101.1 | 155.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 292 | G | 32.6 | Very low | 33.9 | Very low | 73 Ų | 73 | 127.1 Ų | 127.1 | 75% | 0.753 | 81% | 0.812 | S | S | * | * | trans | 179 | 131.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 293 | P | 45.3 | Very low | 34.3 | Very low | 137 Ų | 137 | 128.5 Ų | 128.5 | 89% | 0.89 | 82% | 0.815 | S | S | * | * | trans | -109.2 | 159 | -170.1 | 39.2 | -34.1 | 0 | 0 | 0 | 115.5 | ||||
| 294 | G | 31.7 | Very low | 34.8 | Very low | 83 Ų | 83 | 134.3 Ų | 134.3 | 86% | 0.856 | 82% | 0.819 | S | S | * | * | trans | 121.5 | 145.3 | 143.9 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 295 | G | 32.9 | Very low | 34.8 | Very low | 58 Ų | 58 | 136 Ų | 136 | 60% | 0.598 | 82% | 0.819 | S | S | * | * | trans | 105.2 | 113.7 | 145.7 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 296 | F | 31.7 | Very low | 35.1 | Very low | 211 Ų | 211 | 135.4 Ų | 135.4 | 93% | 0.925 | 82% | 0.815 | S | S | * | * | trans | 60.9 | 113.2 | 139 | -49.1 | -71.9 | 0 | 0 | 0 | 121.4 | ||||
| 297 | S | 41.2 | Very low | 35.6 | Very low | 113 Ų | 113 | 141.3 Ų | 141.3 | 79% | 0.79 | 82% | 0.819 | S | S | * | * | trans | -65.5 | 158.2 | 143 | -69 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 298 | P | 47.2 | Very low | 35.9 | Very low | 123 Ų | 123 | 145.5 Ų | 145.5 | 80% | 0.799 | 82% | 0.824 | S | S | * | * | cis | -155 | 179.3 | 46.8 | 43.2 | -21.9 | 0 | 0 | 0 | 120 | ||||
| 299 | S | 29.7 | Very low | 36 | Very low | 114 Ų | 114 | 146.9 Ų | 146.9 | 80% | 0.797 | 83% | 0.831 | S | S | * | * | trans | 93.9 | 143.3 | 140.9 | -150 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 300 | A | 30.8 | Very low | 35.9 | Very low | 80 Ų | 80 | 147 Ų | 147 | 66% | 0.661 | 83% | 0.831 | S | S | * | * | trans | 70.1 | 119.7 | 151 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 301 | N | 35.3 | Very low | 35.7 | Very low | 149 Ų | 149 | 147.3 Ų | 147.3 | 80% | 0.797 | 83% | 0.827 | S | S | * | * | trans | 60.1 | 111.9 | 138.8 | -80.3 | -43.8 | 0 | 0 | 0 | 121.7 | ||||
| 302 | R | 36.6 | Very low | 35.9 | Very low | 249 Ų | 249 | 148.1 Ų | 148.1 | 94% | 0.94 | 82% | 0.823 | S | S | * | * | -165.6 | 156 | 111.9 | -106.7 | 164.2 | -121.4 | -149.8 | -1.6 | 114.4 | |||||
| 303 | K | 37.1 | Very low | 35.9 | Very low | 209 Ų | 209 | 152.7 Ų | 152.7 | 91% | 0.909 | 83% | 0.825 | S | S | * | * | trans | -62.2 | 136.6 | 180 | -63.7 | 173.5 | -177.8 | 176 | 0 | 112.8 | ||||
| 304 | R | 38.3 | Very low | 35.2 | Very low | 244 Ų | 244 | 153.6 Ų | 153.6 | 92% | 0.921 | 82% | 0.817 | S | S | * | * | trans | -130.8 | 111.2 | 147.8 | -79.7 | -177.5 | 163.2 | 179.8 | -5.1 | 106.9 | ||||
| 305 | K | 35.1 | Very low | 35.3 | Very low | 194 Ų | 194 | 156.6 Ų | 156.6 | 84% | 0.843 | 81% | 0.813 | S | S | * | * | 62.7 | 104.9 | 82 | -166.8 | 81.9 | 174.1 | -170.5 | 0 | 110 | |||||
| 306 | S | 33.5 | Very low | 35.1 | Very low | 115 Ų | 115 | 157.1 Ų | 157.1 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | trans | -60 | 146.3 | -178.2 | 43.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 307 | R | 39 | Very low | 35 | Very low | 243 Ų | 243 | 158.4 Ų | 158.4 | 92% | 0.917 | 82% | 0.817 | S | S | * | * | trans | -123.8 | 145.2 | 161.5 | -73.6 | -176.2 | 169 | -176.5 | -5.8 | 107.8 | ||||
| 308 | K | 37.8 | Very low | 34.3 | Very low | 196 Ų | 196 | 159.4 Ų | 159.4 | 85% | 0.852 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 147.5 | -176 | -57.1 | 176.9 | -178.1 | -179.6 | 0 | 110.1 | ||
| 309 | P | 33.9 | Very low | 33.4 | Very low | 131 Ų | 131 | 157 Ų | 157 | 85% | 0.851 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 136.1 | 164.6 | 29.6 | -33.3 | 0 | 0 | 0 | 109.6 | ||
| 310 | S | 30.8 | Very low | 33.9 | Very low | 115 Ų | 115 | 161.6 Ų | 161.6 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 139.3 | 172.7 | 48.2 | 0 | 0 | 0 | 0 | 110.8 | ||
| 311 | L | 34.3 | Very low | 34.1 | Very low | 156 Ų | 156 | 167.5 Ų | 167.5 | 82% | 0.817 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 131.3 | 176.6 | -175.3 | 145.7 | 0 | 0 | 0 | 109.8 | ||
| 312 | P | 38.8 | Very low | 34.1 | Very low | 118 Ų | 118 | 168.9 Ų | 168.9 | 77% | 0.766 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 147.8 | 176.7 | 32.8 | -34.4 | 0 | 0 | 0 | 111.6 | ||
| 313 | Q | 32.2 | Very low | 34.3 | Very low | 169 Ų | 169 | 164.9 Ų | 164.9 | 79% | 0.79 | 84% | 0.838 | S | S | * | * | trans | -123.3 | 149.1 | -175.9 | -161.6 | -175 | -24.1 | 0 | 0 | 110.5 | ||||
| 314 | E | 32.2 | Very low | 34.7 | Very low | 156 Ų | 156 | 160.3 Ų | 160.3 | 73% | 0.729 | 83% | 0.83 | S | S | * | * | trans | 70.7 | 153.2 | 171.8 | -59.6 | -115.4 | 102.8 | 0 | 0 | 116.1 | ||||
| 315 | L | 33.6 | Very low | 35.4 | Very low | 146 Ų | 146 | 151.2 Ų | 151.2 | 76% | 0.764 | 81% | 0.812 | S | S | * | * | cis | -151.6 | 142.7 | 3 | -137.5 | 164.1 | 0 | 0 | 0 | 109.2 | ||||
| 316 | G | 28.7 | Very low | 36.1 | Very low | 68 Ų | 68 | 147.2 Ų | 147.2 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | trans | -161.8 | 12.5 | -167 | 0 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 317 | R | 28 | Very low | 36.9 | Very low | 238 Ų | 238 | 144.3 Ų | 144.3 | 90% | 0.898 | 79% | 0.792 | S | S | * | * | trans | 64.8 | 124.6 | 169.5 | -70.2 | -175.2 | 175.8 | -101.1 | -1.2 | 121.1 | ||||
| 318 | C | 27.6 | Very low | 37.8 | Very low | 134 Ų | 134 | 136.8 Ų | 136.8 | 91% | 0.905 | 78% | 0.776 | S | S | * | * | 77.9 | 108.9 | 129.7 | -162.4 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 319 | G | 28.8 | Very low | 39.1 | Very low | 74 Ų | 74 | 134.2 Ų | 134.2 | 76% | 0.763 | 77% | 0.768 | S | S | * | * | trans | 172.4 | 108.6 | 160.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 320 | K | 40.4 | Very low | 40.7 | Very low | 210 Ų | 210 | 133 Ų | 133 | 91% | 0.913 | 76% | 0.757 | S | S | * | * | trans | -87.5 | 128.4 | 170.7 | -83.1 | -173 | 174.1 | -173 | 0 | 108.7 | ||||
| 321 | E | 34.5 | Very low | 42.8 | Very low | 203 Ų | 203 | 133.9 Ų | 133.9 | 95% | 0.949 | 75% | 0.75 | S | S | * | * | trans | -164.7 | 153.5 | 133.2 | -110.6 | 158.9 | -152.5 | 0 | 0 | 109.5 | ||||
| 322 | E | 34.8 | Very low | 44.9 | Very low | 179 Ų | 179 | 131.9 Ų | 131.9 | 84% | 0.836 | 74% | 0.74 | S | S | * | * | trans | -119.6 | 128.7 | -166 | -175.1 | -179.2 | 161.8 | 0 | 0 | 110.5 | ||||
| 323 | L | 40.6 | Very low | 46.9 | Very low | 165 Ų | 165 | 129 Ų | 129 | 86% | 0.864 | 73% | 0.726 | S | S | * | * | trans | -146.4 | 110.3 | 174.7 | -111.5 | 167.3 | 0 | 0 | 0 | 109.2 | ||||
| 324 | P | 46.2 | Very low | 49.3 | Very low | 113 Ų | 113 | 127.6 Ų | 127.6 | 73% | 0.734 | 72% | 0.719 | S | S | * | * | trans | -83.1 | 148.6 | -173.2 | 31.6 | -35.1 | 0 | 0 | 0 | 113.2 | ||||
| 325 | G | 51.9 | Low | 51.8 | Low | 53 Ų | 53 | 123 Ų | 123 | 55% | 0.546 | 71% | 0.708 | S | S | . | * | S | Bend | trans | 122.6 | -40.4 | 154.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | S328 | G325-S328 PolarHBondContact O-OG 2.98Š|
| 326 | T | 51.4 | Low | 54.5 | Low | 109 Ų | 109 | 124.6 Ų | 124.6 | 67% | 0.669 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -81.8 | -24.7 | -163.2 | 52 | 0 | 0 | 0 | 0 | 115.8 | ||
| 327 | G | 48.9 | Very low | 57.2 | Low | 54 Ų | 54 | 127.1 Ų | 127.1 | 56% | 0.557 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -71.3 | -33.3 | -175 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 328 | S | 58.5 | Low | 59.8 | Low | 85 Ų | 85 | 118.2 Ų | 118.2 | 59% | 0.594 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -75.3 | -38.5 | 179.7 | 45.9 | 0 | 0 | 0 | 0 | 112.3 | G325 M331 L332 | G325-S328 PolarHBondContact O-OG 2.98Å; S328-M331 PolarHBondContact O-N 3.32Å; S328-L332 WeakPolarHBondContact O-CB 3.48Å; S328-L332 PolarHBondContact O-N 3.06Å |
| 329 | E | 64.7 | Low | 62.4 | Low | 143 Ų | 143 | 119.2 Ų | 119.2 | 67% | 0.668 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -63.1 | -46.6 | -179.8 | -173.7 | 174.1 | -162.2 | 0 | 0 | 111.9 | M331 L332 A333 | E329-M331 VanDerWaalsContact C-N 3.28Å; E329-M331 PolarHBondContact O-N 2.98Å; E329-L332 PolarHBondContact O-N 3.05Å; E329-A333 WeakPolarHBondContact O-CB 3.42Å; E329-A333 PolarHBondContact O-N 3.28Å |
| 330 | V | 67.5 | Low | 65.1 | Low | 104 Ų | 104 | 120.8 Ų | 120.8 | 63% | 0.63 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -60.8 | -38.6 | 176.4 | 176.8 | 0 | 0 | 0 | 0 | 111.5 | Q334 | V330-Q334 WeakPolarHBondContact O-CB 3.27Å; V330-Q334 PolarHBondContact O-N 2.84Å |
| 331 | M | 76.2 | Confident | 66.8 | Low | 134 Ų | 134 | 113.1 Ų | 113.1 | 66% | 0.66 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -68.4 | -38.2 | 177.5 | -165.3 | 179.8 | -61.5 | 0 | 0 | 112.1 | S328 E329 Q334 A335 | S328-M331 PolarHBondContact O-N 3.32Å; E329-M331 VanDerWaalsContact C-N 3.28Å; E329-M331 PolarHBondContact O-N 2.98Å; M331-Q334 PolarHBondContact O-N 3.34Å; M331-A335 WeakPolarHBondContact O-CB 3.47Å; M331-A335 PolarHBondContact O-N 3.43Å |
| 332 | L | 77.3 | Confident | 68.7 | Low | 114 Ų | 114 | 109.2 Ų | 109.2 | 60% | 0.597 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -73.4 | -37.4 | 178.6 | -151 | 161.4 | 0 | 0 | 0 | 111.4 | S328 E329 A335 R336 | S328-L332 WeakPolarHBondContact O-CB 3.48Å; S328-L332 PolarHBondContact O-N 3.06Å; E329-L332 PolarHBondContact O-N 3.05Å; L332-A335 PolarHBondContact O-N 3.06Å; L332-R336 PolarHBondContact O-N 3.46Å |
| 333 | A | 81.7 | Confident | 70.5 | Confident | 57 Ų | 57 | 104.3 Ų | 104.3 | 47% | 0.471 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -62.5 | -44.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | E329 A335 R336 L337 | E329-A333 WeakPolarHBondContact O-CB 3.42Å; E329-A333 PolarHBondContact O-N 3.28Å; A333-A335 VanDerWaalsContact C-N 3.32Å; A333-A335 PolarHBondContact O-N 2.84Å; A333-R336 PolarHBondContact O-N 2.77Å; A333-L337 PolarHBondContact O-N 2.85Å |
| 334 | Q | 81.9 | Confident | 71.9 | Confident | 141 Ų | 141 | 101.4 Ų | 101.4 | 66% | 0.659 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -62.4 | -38.5 | 174.5 | -175.2 | 173.7 | 70 | 0 | 0 | 111.9 | V330 M331 L337 A338 | V330-Q334 WeakPolarHBondContact O-CB 3.27Å; V330-Q334 PolarHBondContact O-N 2.84Å; M331-Q334 PolarHBondContact O-N 3.34Å; Q334-L337 PolarHBondContact O-N 2.94Å; Q334-A338 VanDerWaalsContact O-CB 3.29Å; Q334-A338 WeakPolarHBondContact O-CB 3.35Å; Q334-A338 PolarHBondContact O-N 2.95Å |
| 335 | A | 85.4 | Confident | 72.6 | Confident | 59 Ų | 59 | 101.9 Ų | 101.9 | 49% | 0.488 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -64.9 | -41.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | M331 L332 A333 W339 | M331-A335 WeakPolarHBondContact O-CB 3.47Å; M331-A335 PolarHBondContact O-N 3.43Å; L332-A335 PolarHBondContact O-N 3.06Å; A333-A335 VanDerWaalsContact C-N 3.32Å; A333-A335 PolarHBondContact O-N 2.84Å; A335-W339 WeakPolarHBondContact O-CB 3.46Å; A335-W339 PolarHBondContact O-N 3.5Å |
| 336 | R | 88.8 | Confident | 73.4 | Confident | 179 Ų | 179 | 106.4 Ų | 106.4 | 68% | 0.675 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -60.8 | -51.3 | 172.8 | -88.3 | -172.7 | 170.9 | -179.7 | -1.8 | 111.9 | L332 A333 A338 W339 E340 | L332-R336 PolarHBondContact O-N 3.46Å; A333-R336 PolarHBondContact O-N 2.77Å; R336-A338 VanDerWaalsContact C-N 3.29Å; R336-A338 PolarHBondContact O-N 3.43Å; R336-W339 WeakPolarHBondContact O-CB 3.37Å; R336-W339 PolarHBondContact O-N 2.99Å; R336-E340 PolarHBondContact O-N 3.37Å |
| 337 | L | 86.7 | Confident | 73.8 | Confident | 122 Ų | 122 | 107.8 Ų | 107.8 | 64% | 0.639 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -61.9 | -37.7 | -178.3 | -162.9 | 73.7 | 0 | 0 | 0 | 111.9 | A333 Q334 A341 | A333-L337 PolarHBondContact O-N 2.85Å; Q334-L337 PolarHBondContact O-N 2.94Å; L337-A341 WeakPolarHBondContact O-CB 3.44Å; L337-A341 PolarHBondContact O-N 3.03Å; L337-A341 VanDerWaalsContact O-N 3.08Å |
| 338 | A | 82 | Confident | 73.7 | Confident | 50 Ų | 50 | 115.2 Ų | 115.2 | 41% | 0.413 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -67.5 | -32.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q334 R336 Q342 | Q334-A338 VanDerWaalsContact O-CB 3.29Å; Q334-A338 WeakPolarHBondContact O-CB 3.35Å; Q334-A338 PolarHBondContact O-N 2.95Å; R336-A338 VanDerWaalsContact C-N 3.29Å; R336-A338 PolarHBondContact O-N 3.43Å; A338-Q342 WeakPolarHBondContact O-CG 3.44Å; A338-Q342 PolarHBondContact O-N 2.75Å |
| 339 | W | 82.6 | Confident | 73.2 | Confident | 156 Ų | 156 | 114.6 Ų | 114.6 | 59% | 0.591 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -72.9 | -43.8 | 175.7 | -176.4 | 88.8 | 0 | 0 | 0 | 111.9 | A335 R336 A341 Q342 Q343 | A335-W339 WeakPolarHBondContact O-CB 3.46Å; A335-W339 PolarHBondContact O-N 3.5Å; R336-W339 WeakPolarHBondContact O-CB 3.37Å; R336-W339 PolarHBondContact O-N 2.99Å; W339-A341 PolarHBondContact O-N 3.33Å; W339-Q342 WeakPolarHBondContact O-CB 3.41Å; W339-Q342 PolarHBondContact O-N 2.7Å; W339-Q342 VanDerWaalsContact O-N 3.14Å; W339-Q343 HydrophobicContact CD2-CG 4.44Å; W339-Q343 HydrophobicContact CE3-CG 4.28Å; W339-Q343 HydrophobicContact CH2-CG 4.21Å; W339-Q343 HydrophobicContact CZ2-CG 4.37Å; W339-Q343 HydrophobicContact CZ3-CG 4.16Å; W339-Q343 PolarHBondContact O-N 3.07Å |
| 340 | E | 84.5 | Confident | 72.3 | Confident | 106 Ų | 106 | 112 Ų | 112 | 50% | 0.495 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -60.1 | -44.1 | 175.2 | -70.5 | 178.2 | 161.8 | 0 | 0 | 111.7 | R336 Q342 Q343 V344 | R336-E340 PolarHBondContact O-N 3.37Å; E340-Q342 PolarHBondContact O-N 2.84Å; E340-Q343 PolarHBondContact O-N 3.12Å; E340-V344 PolarHBondContact O-N 3.05Å |
| 341 | A | 76.6 | Confident | 71.2 | Confident | 50 Ų | 50 | 118.1 Ų | 118.1 | 41% | 0.413 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -57.6 | -34.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | L337 W339 M345 | L337-A341 WeakPolarHBondContact O-CB 3.44Å; L337-A341 PolarHBondContact O-N 3.03Å; L337-A341 VanDerWaalsContact O-N 3.08Å; W339-A341 PolarHBondContact O-N 3.33Å; A341-M345 WeakPolarHBondContact O-CG 3.33Å; A341-M345 PolarHBondContact O-N 2.75Å; A341-M345 VanDerWaalsContact O-N 3.17Å |
| 342 | Q | 75.7 | Confident | 69.5 | Low | 121 Ų | 121 | 118.7 Ų | 118.7 | 57% | 0.565 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -70.4 | -35.8 | 175.1 | -71.1 | 178.3 | 23.8 | 0 | 0 | 112.7 | A338 W339 E340 M345 K346 | A338-Q342 WeakPolarHBondContact O-CG 3.44Å; A338-Q342 PolarHBondContact O-N 2.75Å; W339-Q342 WeakPolarHBondContact O-CB 3.41Å; W339-Q342 PolarHBondContact O-N 2.7Å; W339-Q342 VanDerWaalsContact O-N 3.14Å; E340-Q342 PolarHBondContact O-N 2.84Å; Q342-M345 HydrophobicContact CG-CE 4.2Å; Q342-M345 PolarHBondContact O-N 3.04Å; Q342-K346 WeakPolarHBondContact O-CB 3.47Å; Q342-K346 PolarHBondContact O-N 2.88Å |
| 343 | Q | 71.8 | Confident | 68 | Low | 75 Ų | 75 | 118.8 Ų | 118.8 | 35% | 0.35 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -67.8 | -40.6 | 175.4 | -54.3 | -52.8 | -21.9 | 0 | 0 | 111.7 | W339 E340 M345 K346 Q347 | W339-Q343 HydrophobicContact CD2-CG 4.44Å; W339-Q343 HydrophobicContact CE3-CG 4.28Å; W339-Q343 HydrophobicContact CH2-CG 4.21Å; W339-Q343 HydrophobicContact CZ2-CG 4.37Å; W339-Q343 HydrophobicContact CZ3-CG 4.16Å; W339-Q343 PolarHBondContact O-N 3.07Å; E340-Q343 PolarHBondContact O-N 3.12Å; Q343-M345 PolarHBondContact O-N 3.08Å; Q343-K346 PolarHBondContact O-N 2.96Å; Q343-K346 VanDerWaalsContact O-N 3.17Å; Q343-Q347 WeakPolarHBondContact O-CG 3.34Å; Q343-Q347 PolarHBondContact O-N 3.32Å |
| 344 | V | 69 | Low | 65.9 | Low | 104 Ų | 104 | 119.3 Ų | 119.3 | 63% | 0.63 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -61.2 | -43.1 | 175.9 | 175.2 | 0 | 0 | 0 | 0 | 111.5 | E340 K346 Q347 R348 | E340-V344 PolarHBondContact O-N 3.05Å; V344-K346 VanDerWaalsContact C-N 3.34Å; V344-K346 PolarHBondContact O-N 3.4Å; V344-Q347 PolarHBondContact O-N 2.86Å; V344-R348 PolarHBondContact O-N 3.1Å; V344-R348 VanDerWaalsContact O-N 3.15Å |
| 345 | M | 62.1 | Low | 63.8 | Low | 123 Ų | 123 | 122.6 Ų | 122.6 | 61% | 0.606 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -62.3 | -40.4 | 174 | -73.1 | -172.7 | -72 | 0 | 0 | 112.3 | A341 Q342 Q343 R348 S349 | A341-M345 WeakPolarHBondContact O-CG 3.33Å; A341-M345 PolarHBondContact O-N 2.75Å; A341-M345 VanDerWaalsContact O-N 3.17Å; Q342-M345 HydrophobicContact CG-CE 4.2Å; Q342-M345 PolarHBondContact O-N 3.04Å; Q343-M345 PolarHBondContact O-N 3.08Å; M345-R348 PolarHBondContact O-N 3.46Å; M345-S349 PolarHBondContact O-N 3.06Å; M345-S349 VanDerWaalsContact O-N 3.12Å; M345-S349 PolarHBondContact O-OG 2.99Å |
| 346 | K | 67.4 | Low | 61.3 | Low | 149 Ų | 149 | 123.8 Ų | 123.8 | 65% | 0.648 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -67.9 | -36.4 | -179.8 | -164.6 | 176.4 | -178.9 | -175.1 | 0 | 113.1 | Q342 Q343 V344 R348 S349 | Q342-K346 WeakPolarHBondContact O-CB 3.47Å; Q342-K346 PolarHBondContact O-N 2.88Å; Q343-K346 PolarHBondContact O-N 2.96Å; Q343-K346 VanDerWaalsContact O-N 3.17Å; V344-K346 VanDerWaalsContact C-N 3.34Å; V344-K346 PolarHBondContact O-N 3.4Å; K346-R348 VanDerWaalsContact C-N 3.35Å; K346-S349 WeakPolarHBondContact CA-OG 3.46Å; K346-S349 PolarHBondContact O-N 3Å; K346-S349 PolarHBondContact O-OG 2.94Å |
| 347 | Q | 59.8 | Low | 58.6 | Low | 138 Ų | 138 | 119.5 Ų | 119.5 | 65% | 0.645 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -62.9 | -41.2 | 170.4 | -71.9 | -68.6 | -13.7 | 0 | 0 | 111.4 | Q343 V344 S349 S350 | Q343-Q347 WeakPolarHBondContact O-CG 3.34Å; Q343-Q347 PolarHBondContact O-N 3.32Å; V344-Q347 PolarHBondContact O-N 2.86Å; Q347-S349 VanDerWaalsContact C-N 3.34Å; Q347-S349 PolarHBondContact O-N 3.28Å; Q347-S350 WeakPolarHBondContact O-CB 3.47Å; Q347-S350 PolarHBondContact O-N 2.97Å; Q347-S350 VanDerWaalsContact O-N 3.16Å |
| 348 | R | 46.8 | Very low | 55.9 | Low | 209 Ų | 209 | 117.6 Ų | 117.6 | 79% | 0.789 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -67.9 | -30.4 | -179.8 | -159.2 | 177 | -172 | -77.7 | 1.1 | 113.4 | V344 M345 K346 S350 | V344-R348 PolarHBondContact O-N 3.1Å; V344-R348 VanDerWaalsContact O-N 3.15Å; M345-R348 PolarHBondContact O-N 3.46Å; K346-R348 VanDerWaalsContact C-N 3.35Å; R348-S350 PolarHBondContact O-N 2.81Å |
| 349 | S | 49.3 | Very low | 53.6 | Low | 73 Ų | 73 | 121.4 Ų | 121.4 | 51% | 0.51 | 69% | 0.687 | S | S | . | * | G | 310 helix | trans | -70.9 | -12.6 | 173.4 | 45.2 | 0 | 0 | 0 | 0 | 114.7 | M345 K346 Q347 W351 | M345-S349 PolarHBondContact O-N 3.06Å; M345-S349 VanDerWaalsContact O-N 3.12Å; M345-S349 PolarHBondContact O-OG 2.99Å; K346-S349 WeakPolarHBondContact CA-OG 3.46Å; K346-S349 PolarHBondContact O-N 3Å; K346-S349 PolarHBondContact O-OG 2.94Å; Q347-S349 VanDerWaalsContact C-N 3.34Å; Q347-S349 PolarHBondContact O-N 3.28Å; S349-W351 PolarHBondContact O-N 3.45Å |
| 350 | S | 44.9 | Very low | 51.2 | Low | 87 Ų | 87 | 119.8 Ų | 119.8 | 61% | 0.608 | 70% | 0.695 | S | S | * | * | G | 310 helix | trans | -74.7 | -4 | -176.4 | -164.1 | 0 | 0 | 0 | 0 | 114.9 | Q347 R348 | Q347-S350 WeakPolarHBondContact O-CB 3.47Å; Q347-S350 PolarHBondContact O-N 2.97Å; Q347-S350 VanDerWaalsContact O-N 3.16Å; R348-S350 PolarHBondContact O-N 2.81Å |
| 351 | W | 44.1 | Very low | 48.7 | Very low | 233 Ų | 233 | 122.2 Ų | 122.2 | 88% | 0.883 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -113.4 | -4.1 | -175 | -62.4 | 91.6 | 0 | 0 | 0 | 113.8 | S349 | S349-W351 PolarHBondContact O-N 3.45Š|
| 352 | D | 42 | Very low | 46.5 | Very low | 147 Ų | 147 | 124.9 Ų | 124.9 | 79% | 0.786 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -106.8 | 45.8 | -174.8 | -163.7 | 32.5 | 0 | 0 | 0 | 110.9 | ||
| 353 | S | 44.4 | Very low | 44.4 | Very low | 116 Ų | 116 | 125.4 Ų | 125.4 | 81% | 0.811 | 74% | 0.737 | S | S | * | * | trans | -150.2 | 56.3 | -175.6 | -71.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 354 | G | 38.7 | Very low | 42.5 | Very low | 67 Ų | 67 | 124.8 Ų | 124.8 | 69% | 0.691 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -147.7 | 122.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 355 | Q | 37.1 | Very low | 40.9 | Very low | 210 Ų | 210 | 126 Ų | 126 | 98% | 0.981 | 76% | 0.764 | S | S | * | * | trans | 72 | 131.8 | 173.9 | -53.5 | -175.9 | -4.7 | 0 | 0 | 117.3 | ||||
| 356 | G | 33.9 | Very low | 39.6 | Very low | 85 Ų | 85 | 127.8 Ų | 127.8 | 88% | 0.876 | 77% | 0.768 | S | S | * | * | trans | 150.8 | 81.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 357 | G | 32.2 | Very low | 38.3 | Very low | 89 Ų | 89 | 127 Ų | 127 | 92% | 0.918 | 77% | 0.772 | S | S | * | * | trans | -88.6 | 169.8 | -167.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 358 | G | 29.8 | Very low | 37.1 | Very low | 82 Ų | 82 | 123.9 Ų | 123.9 | 85% | 0.845 | 78% | 0.776 | S | S | * | * | trans | -171.7 | 144.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 359 | V | 32.2 | Very low | 36.4 | Very low | 129 Ų | 129 | 123.5 Ų | 123.5 | 78% | 0.782 | 78% | 0.776 | S | S | * | * | trans | -124.1 | 152.2 | -164.6 | 164.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 360 | T | 33.7 | Very low | 35.8 | Very low | 123 Ų | 123 | 127 Ų | 127 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | trans | 63.6 | 147.7 | 176.3 | 45.9 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 361 | H | 31.5 | Very low | 36 | Very low | 156 Ų | 156 | 128.7 Ų | 128.7 | 72% | 0.722 | 80% | 0.796 | S | S | * | * | cis | -154.1 | 140.9 | 37.2 | -140.4 | -85.4 | 0 | 0 | 0 | 115.4 | ||||
| 362 | C | 29.7 | Very low | 35.8 | Very low | 107 Ų | 107 | 125 Ų | 125 | 72% | 0.723 | 79% | 0.794 | S | S | * | * | trans | 52.3 | 147.1 | 152.7 | 64.6 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 363 | S | 32 | Very low | 35.7 | Very low | 132 Ų | 132 | 121.4 Ų | 121.4 | 92% | 0.923 | 79% | 0.791 | S | S | * | * | trans | 76.4 | 131.2 | 167.8 | -157 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 364 | G | 31.1 | Very low | 35.3 | Very low | 62 Ų | 62 | 120.6 Ų | 120.6 | 64% | 0.639 | 79% | 0.791 | S | S | * | * | cis | 167.7 | 153.4 | -4.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 365 | S | 36.5 | Very low | 35.4 | Very low | 130 Ų | 130 | 123.2 Ų | 123.2 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | trans | 67.7 | 155.9 | -176.4 | -64.3 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 366 | K | 33.7 | Very low | 35.8 | Very low | 159 Ų | 159 | 119 Ų | 119 | 69% | 0.691 | 78% | 0.784 | S | S | * | * | cis | -169 | 155.7 | -29 | -171 | -174.5 | 164.2 | -87.4 | 0 | 107 | ||||
| 367 | D | 40.5 | Very low | 36.2 | Very low | 134 Ų | 134 | 121.6 Ų | 121.6 | 72% | 0.717 | 78% | 0.777 | S | S | * | * | trans | 68.5 | 141.5 | 171.9 | -50.1 | -51.5 | 0 | 0 | 0 | 115.8 | ||||
| 368 | G | 34.8 | Very low | 36.6 | Very low | 71 Ų | 71 | 123.4 Ų | 123.4 | 73% | 0.732 | 77% | 0.773 | S | S | * | * | cis | 175.4 | 154 | -12.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 369 | Y | 31.9 | Very low | 36.7 | Very low | 202 Ų | 202 | 126.4 Ų | 126.4 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | trans | 71.2 | 134.3 | 151.9 | -150.1 | -103.5 | 0 | 0 | 0 | 122.3 | ||||
| 370 | E | 36.5 | Very low | 37.4 | Very low | 147 Ų | 147 | 126.4 Ų | 126.4 | 69% | 0.687 | 77% | 0.771 | S | S | * | * | trans | 13.9 | 135.6 | 165.8 | -65.6 | -172.2 | 155.6 | 0 | 0 | 124.3 | ||||
| 371 | S | 50.3 | Low | 37.3 | Very low | 122 Ų | 122 | 123.5 Ų | 123.5 | 85% | 0.853 | 77% | 0.766 | S | S | * | * | -157.9 | 128.3 | 100.3 | -167.6 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 372 | D | 39.5 | Very low | 37.8 | Very low | 156 Ų | 156 | 122.6 Ų | 122.6 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | trans | -87.6 | 159 | 168.2 | -167.5 | 7.7 | 0 | 0 | 0 | 110.1 | ||||
| 373 | G | 40.5 | Very low | 38 | Very low | 70 Ų | 70 | 123.8 Ų | 123.8 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | trans | -171.5 | 90.4 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 374 | A | 35 | Very low | 38.5 | Very low | 99 Ų | 99 | 124.1 Ų | 124.1 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | -71.8 | 159.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 375 | V | 40.5 | Very low | 38.8 | Very low | 123 Ų | 123 | 130.2 Ų | 130.2 | 75% | 0.745 | 78% | 0.777 | S | S | * | * | trans | -76.3 | 166 | -173.6 | -139.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 376 | P | 47 | Very low | 38.9 | Very low | 121 Ų | 121 | 128.8 Ų | 128.8 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | -138.9 | 156.5 | 99.1 | 38.2 | -26.9 | 0 | 0 | 0 | 115.6 | |||||
| 377 | L | 40.8 | Very low | 38.8 | Very low | 139 Ų | 139 | 128 Ų | 128 | 73% | 0.728 | 77% | 0.77 | S | S | * | * | trans | -87.2 | 157.1 | 172.8 | -69.7 | 167.7 | 0 | 0 | 0 | 111.9 | ||||
| 378 | P | 41.5 | Very low | 38.7 | Very low | 127 Ų | 127 | 127.8 Ų | 127.8 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | trans | -123.6 | 143.6 | 134.9 | 35.3 | -28.3 | 0 | 0 | 0 | 113.2 | ||||
| 379 | L | 32.3 | Very low | 38.8 | Very low | 146 Ų | 146 | 132.9 Ų | 132.9 | 76% | 0.764 | 78% | 0.784 | S | S | * | * | trans | -117.7 | 175.3 | 176.3 | -73.6 | 171 | 0 | 0 | 0 | 109.1 | ||||
| 380 | P | 46.9 | Very low | 39.2 | Very low | 128 Ų | 128 | 130.6 Ų | 130.6 | 83% | 0.831 | 79% | 0.786 | S | S | * | * | cis | -128 | 170.8 | -26.9 | 28.5 | -9.3 | 0 | 0 | 0 | 113.3 | ||||
| 381 | G | 30.9 | Very low | 39.1 | Very low | 62 Ų | 62 | 132.1 Ų | 132.1 | 64% | 0.639 | 79% | 0.793 | S | S | * | * | trans | -144.3 | 147.1 | 163.8 | 0 | 0 | 0 | 0 | 0 | 111 | V383 | G381-V383 PolarHBondContact O-N 3.49Š| ||
| 382 | P | 41.1 | Very low | 38.3 | Very low | 137 Ų | 137 | 130.8 Ų | 130.8 | 89% | 0.89 | 79% | 0.789 | S | S | * | * | trans | -79.7 | 122.2 | -160.4 | -15 | 31.3 | 0 | 0 | 0 | 114.2 | ||||
| 383 | V | 35.8 | Very low | 38.2 | Very low | 133 Ų | 133 | 131.9 Ų | 131.9 | 81% | 0.806 | 79% | 0.794 | S | S | * | * | trans | -125.3 | 115.5 | 161.4 | 179.1 | 0 | 0 | 0 | 0 | 108 | G381 R385 | G381-V383 PolarHBondContact O-N 3.49Å; V383-R385 PolarHBondContact O-N 3.37Å | ||
| 384 | V | 41.6 | Very low | 37.9 | Very low | 139 Ų | 139 | 132.9 Ų | 132.9 | 84% | 0.842 | 80% | 0.795 | S | S | * | * | trans | -77.5 | 115.4 | 175.9 | 177.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 385 | R | 36.3 | Very low | 37.7 | Very low | 189 Ų | 189 | 137.9 Ų | 137.9 | 71% | 0.713 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 136.6 | 165.2 | -90.1 | 179.5 | -81.6 | 158.2 | -7 | 109.8 | V383 F387 | V383-R385 PolarHBondContact O-N 3.37Å; R385-F387 HydrophobicContact CB-CD2 4.4Å; R385-F387 HydrophobicContact CB-CE2 4.06Å |
| 386 | A | 40 | Very low | 37.2 | Very low | 100 Ų | 100 | 135.7 Ų | 135.7 | 83% | 0.826 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -103.6 | 144.1 | 148.6 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||
| 387 | F | 30.5 | Very low | 36.4 | Very low | 143 Ų | 143 | 137.9 Ų | 137.9 | 63% | 0.627 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -98.5 | 156.8 | -171 | -72.3 | -112.7 | 0 | 0 | 0 | 111.3 | R385 | R385-F387 HydrophobicContact CB-CD2 4.4Å; R385-F387 HydrophobicContact CB-CE2 4.06Å |
| 388 | S | 39.1 | Very low | 36 | Very low | 129 Ų | 129 | 134.4 Ų | 134.4 | 90% | 0.902 | 81% | 0.807 | S | S | * | * | trans | -116.4 | 128.1 | 152.1 | -71.1 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 389 | E | 37.3 | Very low | 35.7 | Very low | 178 Ų | 178 | 137.4 Ų | 137.4 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | trans | -146.5 | 171.6 | 169.9 | 63.5 | -166.6 | 147.2 | 0 | 0 | 109.1 | ||||
| 390 | D | 39.5 | Very low | 36 | Very low | 155 Ų | 155 | 138.1 Ų | 138.1 | 83% | 0.829 | 81% | 0.808 | S | S | * | * | trans | -113.4 | 172.4 | -136.1 | -130.1 | -36.1 | 0 | 0 | 0 | 116.2 | ||||
| 391 | E | 35.4 | Very low | 35.1 | Very low | 179 Ų | 179 | 143.8 Ų | 143.8 | 84% | 0.836 | 81% | 0.813 | S | S | * | * | trans | 36.4 | 110.8 | 148.9 | -167 | 171.4 | -160.1 | 0 | 0 | 120.2 | ||||
| 392 | A | 33.8 | Very low | 35.3 | Very low | 93 Ų | 93 | 149.8 Ų | 149.8 | 77% | 0.769 | 82% | 0.822 | S | S | * | * | trans | -147 | 94.5 | 162.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 393 | L | 37.5 | Very low | 34.8 | Very low | 180 Ų | 180 | 153.8 Ų | 153.8 | 94% | 0.942 | 82% | 0.819 | S | S | * | * | trans | 66.3 | 164.5 | 149.8 | -56.1 | 177.9 | 0 | 0 | 0 | 119.6 | ||||
| 394 | A | 32.6 | Very low | 34.4 | Very low | 90 Ų | 90 | 152.8 Ų | 152.8 | 74% | 0.744 | 81% | 0.814 | S | S | * | * | trans | -121.7 | -179.9 | -161.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 395 | Q | 30.4 | Very low | 33.9 | Very low | 204 Ų | 204 | 151.8 Ų | 151.8 | 95% | 0.953 | 81% | 0.808 | S | S | * | * | trans | 82 | 146.2 | 173.5 | -49.9 | -167.7 | -46.6 | 0 | 0 | 116.9 | ||||
| 396 | G | 31.9 | Very low | 33.6 | Very low | 77 Ų | 77 | 151.2 Ų | 151.2 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | trans | 143.3 | 95.6 | 175 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 397 | D | 30.2 | Very low | 33.1 | Very low | 168 Ų | 168 | 152.4 Ų | 152.4 | 90% | 0.898 | 80% | 0.803 | S | S | * | * | trans | -65.8 | 161.8 | -179 | -66.1 | -82.2 | 0 | 0 | 0 | 115.7 | ||||
| 398 | G | 31.3 | Very low | 33.2 | Very low | 66 Ų | 66 | 154.7 Ų | 154.7 | 68% | 0.68 | 81% | 0.808 | S | S | * | * | 88 | 112.3 | 118.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | H400 | G398-H400 PolarHBondContact O-N 2.93Š| |||
| 399 | H | 34.5 | Very low | 33.3 | Very low | 189 Ų | 189 | 155.7 Ų | 155.7 | 88% | 0.875 | 80% | 0.803 | S | S | * | * | trans | -26.5 | 129 | 163 | -60.6 | -95.8 | 0 | 0 | 0 | 116.3 | ||||
| 400 | H | 40.5 | Very low | 33 | Very low | 161 Ų | 161 | 151 Ų | 151 | 75% | 0.745 | 80% | 0.802 | S | S | * | * | 174.9 | 148.4 | 104.5 | 62.2 | -64.9 | 0 | 0 | 0 | 112.5 | G398 | G398-H400 PolarHBondContact O-N 2.93Š| |||
| 401 | W | 27.7 | Very low | 32.7 | Very low | 247 Ų | 247 | 153.7 Ų | 153.7 | 94% | 0.936 | 81% | 0.807 | S | S | * | * | trans | -136.3 | 96.7 | 161.2 | 57.7 | -91.2 | 0 | 0 | 0 | 111.3 | ||||
| 402 | K | 35.1 | Very low | 32.5 | Very low | 188 Ų | 188 | 150.3 Ų | 150.3 | 82% | 0.817 | 80% | 0.803 | S | S | * | * | trans | -154.2 | 107.1 | 166.7 | -89.2 | -159.2 | 177.8 | -177.5 | 0 | 111.9 | ||||
| 403 | R | 29.1 | Very low | 32.3 | Very low | 221 Ų | 221 | 154.6 Ų | 154.6 | 83% | 0.834 | 81% | 0.807 | S | S | * | * | trans | 166.5 | 119.4 | 148 | -94.1 | 175.8 | -85.3 | -116.3 | 2.3 | 105.1 | ||||
| 404 | T | 28.4 | Very low | 32 | Very low | 113 Ų | 113 | 150.4 Ų | 150.4 | 69% | 0.693 | 80% | 0.798 | S | S | * | * | 66.8 | 123.8 | 58.4 | 72.2 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 405 | T | 30 | Very low | 32.3 | Very low | 118 Ų | 118 | 153.8 Ų | 153.8 | 72% | 0.724 | 80% | 0.803 | S | S | * | * | trans | 70.6 | 125.1 | 142.2 | 50.2 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 406 | F | 31.2 | Very low | 32.9 | Very low | 177 Ų | 177 | 151.3 Ų | 151.3 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | trans | 103.5 | 125 | 134.5 | -100.7 | -120.6 | 0 | 0 | 0 | 120.2 | ||||
| 407 | D | 30.1 | Very low | 32.9 | Very low | 124 Ų | 124 | 156.3 Ų | 156.3 | 66% | 0.663 | 80% | 0.798 | S | S | * | * | trans | 64.1 | 153.4 | 140.2 | -81.9 | 4.7 | 0 | 0 | 0 | 121.7 | ||||
| 408 | R | 31.6 | Very low | 33.4 | Very low | 191 Ų | 191 | 157.4 Ų | 157.4 | 72% | 0.721 | 80% | 0.795 | S | S | * | * | cis | -169.1 | 158.4 | -28.7 | -150.5 | 177 | 179.8 | -120.8 | 0.8 | 109.1 | ||||
| 409 | L | 41.7 | Very low | 33.8 | Very low | 151 Ų | 151 | 159.3 Ų | 159.3 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | trans | 70.8 | 151.5 | 166.5 | -50.2 | 177 | 0 | 0 | 0 | 116.7 | ||||
| 410 | G | 30.5 | Very low | 33.8 | Very low | 79 Ų | 79 | 158 Ų | 158 | 81% | 0.814 | 80% | 0.796 | S | S | * | * | trans | 147.3 | 35.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 411 | F | 32.8 | Very low | 33.7 | Very low | 212 Ų | 212 | 154.5 Ų | 154.5 | 93% | 0.93 | 79% | 0.79 | S | S | * | * | trans | -90.1 | 122 | -178.4 | -91.8 | -80.2 | 0 | 0 | 0 | 113.8 | ||||
| 412 | S | 31.3 | Very low | 34 | Very low | 108 Ų | 108 | 148.5 Ų | 148.5 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | trans | -154.6 | 128.5 | 131.3 | 53.4 | 0 | 0 | 0 | 0 | 107 | ||||
| 413 | Q | 29.1 | Very low | 34 | Very low | 182 Ų | 182 | 148.2 Ų | 148.2 | 85% | 0.85 | 78% | 0.782 | S | S | * | * | cis | 69.3 | 86.4 | 47.1 | -168.5 | 177 | -9.1 | 0 | 0 | 113.3 | ||||
| 414 | A | 32.6 | Very low | 34.2 | Very low | 92 Ų | 92 | 142.6 Ų | 142.6 | 76% | 0.76 | 77% | 0.772 | S | S | * | * | 180 | 100 | 123.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 415 | L | 38 | Very low | 34.5 | Very low | 162 Ų | 162 | 144 Ų | 144 | 85% | 0.848 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -163.9 | 146.2 | 134.4 | -137.5 | 75.3 | 0 | 0 | 0 | 112.4 | ||
| 416 | L | 43.4 | Very low | 34.6 | Very low | 151 Ų | 151 | 146.3 Ų | 146.3 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | trans | 60.1 | 73 | 165.2 | -69.4 | 167.9 | 0 | 0 | 0 | 117.7 | ||||
| 417 | E | 32.7 | Very low | 34.4 | Very low | 182 Ų | 182 | 142.8 Ų | 142.8 | 85% | 0.85 | 79% | 0.786 | S | S | * | * | trans | -51.7 | 149.5 | 143.6 | -51.4 | 161.3 | 109.9 | 0 | 0 | 112.1 | ||||
| 418 | K | 40.6 | Very low | 34.4 | Very low | 191 Ų | 191 | 141.9 Ų | 141.9 | 83% | 0.83 | 79% | 0.79 | S | S | * | * | trans | -168.9 | 132.5 | 141.7 | -112.4 | 167.4 | -177.6 | 177.8 | 0 | 111.7 | ||||
| 419 | S | 39.7 | Very low | 35.3 | Very low | 106 Ų | 106 | 139 Ų | 139 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | trans | 55.6 | 109.7 | 176.4 | 38 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 420 | L | 33.8 | Very low | 34.8 | Very low | 163 Ų | 163 | 139.7 Ų | 139.7 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | 54.9 | 135.4 | 51.2 | -73.3 | 89.2 | 0 | 0 | 0 | 114.7 | |||||
| 421 | S | 39 | Very low | 35.5 | Very low | 87 Ų | 87 | 140.5 Ų | 140.5 | 61% | 0.608 | 79% | 0.785 | S | S | * | * | cis | -177.3 | 154 | -10 | 49 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 422 | V | 34.1 | Very low | 35.4 | Very low | 121 Ų | 121 | 139.6 Ų | 139.6 | 73% | 0.733 | 78% | 0.777 | S | S | * | * | trans | 67.2 | 123.5 | 148.3 | 162.8 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 423 | Q | 33.7 | Very low | 35.4 | Very low | 181 Ų | 181 | 141 Ų | 141 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | 57.3 | 153.6 | 70.8 | -64.7 | -169.3 | -5.2 | 0 | 0 | 112.6 | |||||
| 424 | T | 33.5 | Very low | 35.7 | Very low | 104 Ų | 104 | 140.9 Ų | 140.9 | 64% | 0.638 | 78% | 0.775 | S | S | * | * | cis | -163.8 | 134.7 | 22.2 | 152.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 425 | N | 34.2 | Very low | 36.9 | Very low | 142 Ų | 142 | 141.3 Ų | 141.3 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | trans | 61.2 | 155.2 | 145.7 | -74.5 | -70.1 | 0 | 0 | 0 | 125.7 | ||||
| 426 | L | 32.1 | Very low | 36.7 | Very low | 166 Ų | 166 | 138.1 Ų | 138.1 | 87% | 0.869 | 76% | 0.761 | S | S | * | * | trans | 71.3 | 102.1 | 150.2 | -75.7 | 158.8 | 0 | 0 | 0 | 121.5 | ||||
| 427 | A | 29 | Very low | 36.3 | Very low | 104 Ų | 104 | 139.2 Ų | 139.2 | 86% | 0.86 | 76% | 0.762 | S | S | * | * | -170.7 | 155.1 | 119.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 428 | S | 29.4 | Very low | 36.5 | Very low | 105 Ų | 105 | 135.3 Ų | 135.3 | 73% | 0.734 | 76% | 0.755 | S | S | * | * | trans | -127 | 158.6 | 168.9 | -166.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 429 | P | 50.1 | Low | 36.3 | Very low | 129 Ų | 129 | 134.4 Ų | 134.4 | 84% | 0.838 | 75% | 0.753 | S | S | * | * | -143.8 | 158.1 | 92.5 | 37.5 | -21.5 | 0 | 0 | 0 | 116.5 | |||||
| 430 | E | 31 | Very low | 36.3 | Very low | 166 Ų | 166 | 136.4 Ų | 136.4 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | trans | -76.2 | -176.6 | 161.8 | -113.2 | -163.4 | 112.8 | 0 | 0 | 111.9 | ||||
| 431 | P | 46.4 | Very low | 36.5 | Very low | 96 Ų | 96 | 136.4 Ų | 136.4 | 62% | 0.623 | 76% | 0.756 | S | S | * | * | cis | -129.3 | -144 | 8.2 | 33.5 | -7.6 | 0 | 0 | 0 | 112 | ||||
| 432 | Y | 29.3 | Very low | 36.2 | Very low | 194 Ų | 194 | 135.5 Ų | 135.5 | 76% | 0.761 | 76% | 0.76 | S | S | * | * | cis | -164.9 | 173.4 | 4.9 | -134.6 | -10.1 | 0 | 0 | 0 | 114.3 | ||||
| 433 | L | 32.7 | Very low | 36.2 | Very low | 138 Ų | 138 | 134.6 Ų | 134.6 | 72% | 0.723 | 77% | 0.765 | S | S | * | * | trans | 50.2 | 91.5 | 152.6 | -60.5 | -178 | 0 | 0 | 0 | 123.7 | ||||
| 434 | H | 33.9 | Very low | 36.2 | Very low | 179 Ų | 179 | 132.2 Ų | 132.2 | 83% | 0.829 | 77% | 0.767 | S | S | * | * | 45.4 | 144.2 | 108.2 | -132 | -105.9 | 0 | 0 | 0 | 124.2 | |||||
| 435 | P | 57.3 | Low | 36.5 | Very low | 100 Ų | 100 | 131.8 Ų | 131.8 | 65% | 0.649 | 77% | 0.774 | S | S | * | * | trans | -105.5 | 170.4 | -179.9 | 41.1 | -37.5 | 0 | 0 | 0 | 116.4 | ||||
| 436 | S | 34.9 | Very low | 36.4 | Very low | 95 Ų | 95 | 133.2 Ų | 133.2 | 66% | 0.664 | 78% | 0.776 | S | S | * | * | trans | -173.2 | 140.2 | 158.9 | -91.8 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 437 | Q | 34 | Very low | 36.8 | Very low | 175 Ų | 175 | 134.7 Ų | 134.7 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | 62.6 | 158.1 | 144.1 | -62.1 | 158.7 | 64 | 0 | 0 | 118.4 | ||||
| 438 | S | 37.9 | Very low | 37 | Very low | 99 Ų | 99 | 137.7 Ų | 137.7 | 69% | 0.692 | 77% | 0.772 | S | S | * | * | cis | -134.8 | 163.1 | 3.7 | 65.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 439 | E | 36.1 | Very low | 37.5 | Very low | 172 Ų | 172 | 137 Ų | 137 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | 45.8 | 134 | 71.4 | -55.1 | 169.2 | 124.2 | 0 | 0 | 113.5 | |||||
| 440 | D | 39.6 | Very low | 36.8 | Very low | 148 Ų | 148 | 135.5 Ų | 135.5 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | cis | -153.7 | -168.1 | 9.7 | -170.5 | 13.4 | 0 | 0 | 0 | 110.9 | ||||
| 441 | L | 38.8 | Very low | 37.7 | Very low | 164 Ų | 164 | 139.2 Ų | 139.2 | 86% | 0.859 | 77% | 0.772 | S | S | * | * | trans | 123.1 | 66.2 | 161 | -63.2 | -179.1 | 0 | 0 | 0 | 117 | ||||
| 442 | G | 32.6 | Very low | 37.2 | Very low | 67 Ų | 67 | 140.7 Ų | 140.7 | 69% | 0.691 | 78% | 0.775 | S | S | * | * | 72.2 | 125.8 | 104.9 | 0 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 443 | A | 33.2 | Very low | 37.9 | Very low | 102 Ų | 102 | 136.6 Ų | 136.6 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | trans | 67.9 | 148.3 | 153.6 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 444 | C | 34.7 | Very low | 38.8 | Very low | 131 Ų | 131 | 139.4 Ų | 139.4 | 89% | 0.885 | 78% | 0.782 | S | S | * | * | cis | -147.5 | 165.1 | -5 | -133.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 445 | A | 39.5 | Very low | 39.3 | Very low | 95 Ų | 95 | 137.9 Ų | 137.9 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | trans | -85.9 | 139.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 446 | Q | 32.3 | Very low | 38.4 | Very low | 172 Ų | 172 | 142 Ų | 142 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | -155.1 | 133.9 | 143 | -155.3 | 163.3 | -28.7 | 0 | 0 | 112.1 | ||||
| 447 | F | 39.2 | Very low | 38.6 | Very low | 197 Ų | 197 | 145.9 Ų | 145.9 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | trans | -97.4 | 118.3 | 163.3 | 173.2 | -81.2 | 0 | 0 | 0 | 107.2 | ||||
| 448 | E | 34.6 | Very low | 39.1 | Very low | 167 Ų | 167 | 143 Ų | 143 | 78% | 0.78 | 80% | 0.799 | S | S | * | * | trans | -167.6 | 161.8 | 152.4 | -118.3 | 170.1 | 174.3 | 0 | 0 | 112.8 | ||||
| 449 | A | 40.3 | Very low | 38.9 | Very low | 91 Ų | 91 | 144 Ų | 144 | 75% | 0.752 | 81% | 0.807 | S | S | * | * | trans | -98.6 | 120.5 | -171.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 450 | S | 34 | Very low | 39.1 | Very low | 98 Ų | 98 | 140.9 Ų | 140.9 | 69% | 0.685 | 81% | 0.81 | S | S | * | * | trans | -160.9 | 117.4 | 148.2 | -93.7 | 0 | 0 | 0 | 0 | 116.2 | N452 | S450-N452 PolarHBondContact O-N 3.29Š| ||
| 451 | R | 50.8 | Low | 39.1 | Very low | 243 Ų | 243 | 139.4 Ų | 139.4 | 92% | 0.917 | 81% | 0.811 | S | S | * | * | 37.1 | 79.8 | 122.7 | -52.2 | 175.2 | -168.8 | 166.8 | 4.9 | 117.3 | |||||
| 452 | N | 36 | Very low | 39.1 | Very low | 127 Ų | 127 | 137.8 Ų | 137.8 | 68% | 0.679 | 81% | 0.812 | S | S | * | * | trans | -140.3 | 96.5 | 150.6 | -161.7 | 5.3 | 0 | 0 | 0 | 112.5 | S450 R454 | S450-N452 PolarHBondContact O-N 3.29Å; N452-R454 PolarHBondContact O-N 3.03Å | ||
| 453 | A | 44.1 | Very low | 39.1 | Very low | 108 Ų | 108 | 137.9 Ų | 137.9 | 89% | 0.893 | 81% | 0.813 | S | S | * | * | trans | -95.7 | 62.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 454 | R | 50.7 | Low | 39.7 | Very low | 197 Ų | 197 | 140.8 Ų | 140.8 | 74% | 0.743 | 81% | 0.813 | S | S | * | * | trans | -146.1 | 145.2 | 176.4 | -53.9 | -176.7 | -154.3 | 179.1 | 9.2 | 110.6 | N452 | N452-R454 PolarHBondContact O-N 3.03Š| ||
| 455 | N | 44.9 | Very low | 39.6 | Very low | 148 Ų | 148 | 144.2 Ų | 144.2 | 79% | 0.791 | 81% | 0.813 | S | S | * | * | trans | 62.6 | 77.5 | 162.4 | -53.7 | -8.9 | 0 | 0 | 0 | 117 | ||||
| 456 | M | 37.7 | Very low | 39.6 | Very low | 186 Ų | 186 | 146.4 Ų | 146.4 | 92% | 0.916 | 82% | 0.817 | S | S | * | * | trans | -120.1 | 121.2 | 141.1 | -77.7 | -68.4 | 163.3 | 0 | 0 | 107.5 | ||||
| 457 | M | 39.8 | Very low | 39.8 | Very low | 176 Ų | 176 | 145.9 Ų | 145.9 | 87% | 0.867 | 81% | 0.814 | S | S | * | * | trans | -81.1 | 127.1 | -177.9 | -78.1 | -77.7 | -75.3 | 0 | 0 | 110.6 | ||||
| 458 | P | 43.5 | Very low | 39.7 | Very low | 114 Ų | 114 | 144.1 Ų | 144.1 | 74% | 0.74 | 81% | 0.806 | S | S | * | * | trans | -77.7 | 118 | 164.3 | -5.6 | 23.4 | 0 | 0 | 0 | 109.3 | A460 | P458-A460 PolarHBondContact O-N 3.37Å; P458-A460 VanDerWaalsContact O-N 3.11Å | ||
| 459 | S | 34.1 | Very low | 39.7 | Very low | 122 Ų | 122 | 141 Ų | 141 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | trans | -68.9 | 105.7 | 170.2 | -70.2 | 0 | 0 | 0 | 0 | 110.2 | S461 | S459-S461 PolarHBondContact O-N 3.41Š| ||
| 460 | A | 41.7 | Very low | 39.7 | Very low | 106 Ų | 106 | 143.5 Ų | 143.5 | 88% | 0.876 | 80% | 0.803 | S | S | * | * | trans | -75.4 | 90.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | P458 | P458-A460 PolarHBondContact O-N 3.37Å; P458-A460 VanDerWaalsContact O-N 3.11Å | ||
| 461 | S | 39.6 | Very low | 40.1 | Very low | 116 Ų | 116 | 150.2 Ų | 150.2 | 81% | 0.811 | 81% | 0.813 | S | S | * | * | trans | -151 | 45.7 | 170.3 | -155.4 | 0 | 0 | 0 | 0 | 114.8 | S459 | S459-S461 PolarHBondContact O-N 3.41Š| ||
| 462 | C | 38 | Very low | 39.5 | Very low | 131 Ų | 131 | 147.5 Ų | 147.5 | 89% | 0.885 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -156.8 | 144.1 | 148.1 | 54.6 | 0 | 0 | 0 | 0 | 109.1 | ||
| 463 | G | 33.3 | Very low | 39.9 | Very low | 68 Ų | 68 | 147 Ų | 147 | 70% | 0.701 | 81% | 0.812 | S | S | * | * | trans | -94.6 | 150.1 | -166.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 464 | I | 44.9 | Very low | 40.4 | Very low | 164 Ų | 164 | 144.7 Ų | 144.7 | 84% | 0.841 | 79% | 0.789 | S | S | * | * | trans | 56 | 59.2 | 153.2 | -35.4 | 179.9 | 0 | 0 | 0 | 115.7 | ||||
| 465 | F | 32.3 | Very low | 41.3 | Very low | 203 Ų | 203 | 137.7 Ų | 137.7 | 89% | 0.89 | 77% | 0.771 | S | S | * | * | -135.5 | 113.9 | 129.1 | -86.7 | -76.8 | 0 | 0 | 0 | 108.7 | E467 | F465-E467 VanDerWaalsContact C-N 3.31Å; F465-E467 PolarHBondContact O-N 3.19Å | |||
| 466 | T | 39.4 | Very low | 42.2 | Very low | 140 Ų | 140 | 138.4 Ų | 138.4 | 86% | 0.859 | 77% | 0.769 | S | S | * | * | trans | -68.2 | 98.5 | 161.8 | -56.3 | 0 | 0 | 0 | 0 | 106.1 | F468 | T466-F468 PolarHBondContact O-N 2.94Š| ||
| 467 | E | 36.8 | Very low | 44.1 | Very low | 161 Ų | 161 | 133.6 Ų | 133.6 | 75% | 0.752 | 75% | 0.75 | S | S | * | * | trans | -57.1 | 113.5 | 176.5 | -174.2 | 172.2 | 161.1 | 0 | 0 | 108 | F465 S469 | F465-E467 VanDerWaalsContact C-N 3.31Å; F465-E467 PolarHBondContact O-N 3.19Å; E467-S469 PolarHBondContact O-N 2.95Å | ||
| 468 | F | 36.8 | Very low | 46.2 | Very low | 160 Ų | 160 | 129.2 Ų | 129.2 | 70% | 0.702 | 73% | 0.731 | S | S | * | * | trans | -66 | 85.6 | 171.5 | 49.6 | -83.9 | 0 | 0 | 0 | 106.4 | T466 L470 | T466-F468 PolarHBondContact O-N 2.94Å; F468-L470 VanDerWaalsContact C-N 3.31Å; F468-L470 HydrophobicContact CD2-CD2 4.18Å; F468-L470 HydrophobicContact CD2-CG 4.45Å; F468-L470 HydrophobicContact CE2-CD2 4.28Å; F468-L470 PolarHBondContact O-N 3.26Å | ||
| 469 | S | 35.9 | Very low | 48.4 | Very low | 102 Ų | 102 | 127 Ų | 127 | 71% | 0.713 | 71% | 0.712 | S | S | * | * | trans | -50.2 | 103 | 172.3 | -80.1 | 0 | 0 | 0 | 0 | 106.7 | E467 R471 | E467-S469 PolarHBondContact O-N 2.95Å; S469-R471 PolarHBondContact O-N 2.9Å | ||
| 470 | L | 40.3 | Very low | 51 | Low | 143 Ų | 143 | 124.3 Ų | 124.3 | 75% | 0.749 | 69% | 0.686 | S | S | * | * | trans | -53.6 | 111.1 | -176.2 | -78.8 | 168.5 | 0 | 0 | 0 | 105.5 | F468 K472 | F468-L470 VanDerWaalsContact C-N 3.31Å; F468-L470 HydrophobicContact CD2-CD2 4.18Å; F468-L470 HydrophobicContact CD2-CG 4.45Å; F468-L470 HydrophobicContact CE2-CD2 4.28Å; F468-L470 PolarHBondContact O-N 3.26Å; L470-K472 PolarHBondContact O-N 3.48Å | ||
| 471 | R | 40.8 | Very low | 53.4 | Low | 239 Ų | 239 | 123.1 Ų | 123.1 | 90% | 0.902 | 67% | 0.665 | S | S | * | * | trans | -45.2 | 116.8 | 166.6 | -81.2 | -79.9 | -161.6 | 142.8 | 3.9 | 103.9 | S469 P473 | S469-R471 PolarHBondContact O-N 2.9Å; R471-P473 VanDerWaalsContact O-N 3.08Å | ||
| 472 | K | 38.3 | Very low | 55.9 | Low | 187 Ų | 187 | 122.6 Ų | 122.6 | 81% | 0.813 | 65% | 0.645 | S | S | * | * | trans | -44.1 | 128.1 | 169.2 | -100.7 | 80.2 | 173.8 | -177.1 | 0 | 104.8 | L470 S474 | L470-K472 PolarHBondContact O-N 3.48Å; K472-S474 PolarHBondContact O-N 3.13Å | ||
| 473 | P | 43.9 | Very low | 58.4 | Low | 117 Ų | 117 | 116.4 Ų | 116.4 | 76% | 0.76 | 60% | 0.603 | S | S | * | * | trans | -48.8 | 128.2 | 172.7 | 22 | -32.2 | 0 | 0 | 0 | 105.8 | R471 S475 | R471-P473 VanDerWaalsContact O-N 3.08Å; P473-S475 PolarHBondContact O-N 3.18Å; P473-S475 VanDerWaalsContact O-N 3.07Å | ||
| 474 | S | 55 | Low | 61.2 | Low | 58 Ų | 58 | 116.2 Ų | 116.2 | 41% | 0.406 | 59% | 0.591 | S | S | . | * | trans | -43.7 | 124.3 | -175.9 | 49.5 | 0 | 0 | 0 | 0 | 107.3 | K472 | K472-S474 PolarHBondContact O-N 3.13Š| ||
| 475 | S | 69.4 | Low | 63.4 | Low | 51 Ų | 51 | 116 Ų | 116 | 36% | 0.357 | 58% | 0.584 | S | S | . | * | trans | -53 | 152.1 | -162 | 63.7 | 0 | 0 | 0 | 0 | 109.9 | P473 T477 D478 I479 | P473-S475 PolarHBondContact O-N 3.18Å; P473-S475 VanDerWaalsContact O-N 3.07Å; S475-T477 CarbonylContact O-C 3.58Å; S475-T477 PolarHBondContact O-N 3.29Å; S475-D478 WeakPolarHBondContact CB-OD2 3.32Å; S475-D478 PolarHBondContact N-OD2 3.3Å; S475-D478 WeakPolarHBondContact O-CA 3.49Å; S475-D478 WeakPolarHBondContact O-CB 3.22Å; S475-D478 PolarHBondContact O-N 2.89Å; S475-D478 PolarHBondContact OG-N 3.15Å; S475-D478 PolarHBondContact OG-OD2 2.96Å; S475-I479 PolarHBondContact O-N 2.86Å | ||
| 476 | E | 65.1 | Low | 66.2 | Low | 162 Ų | 162 | 110.1 Ų | 110.1 | 76% | 0.757 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -50.2 | -40.8 | -179.6 | -165.5 | 165.7 | -173.7 | 0 | 0 | 110.4 | D478 I479 E480 | E476-D478 PolarHBondContact O-N 3.33Å; E476-I479 PolarHBondContact O-N 3.19Å; E476-E480 WeakPolarHBondContact O-CG 3.42Å; E476-E480 PolarHBondContact O-N 3.18Å |
| 477 | T | 76.9 | Confident | 68.8 | Low | 85 Ų | 85 | 104.3 Ų | 104.3 | 52% | 0.521 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -52.2 | -41.4 | 167.8 | -31.7 | 0 | 0 | 0 | 0 | 115.4 | S475 N481 | S475-T477 CarbonylContact O-C 3.58Å; S475-T477 PolarHBondContact O-N 3.29Å; T477-N481 WeakPolarHBondContact O-CB 3.47Å; T477-N481 PolarHBondContact O-N 3.39Å; T477-N481 PolarHBondContact O-ND2 2.84Å |
| 478 | D | 84.9 | Confident | 71.4 | Confident | 85 Ų | 85 | 98.3 Ų | 98.3 | 46% | 0.455 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.9 | -40.8 | 177.9 | -66.6 | -51 | 0 | 0 | 0 | 111.7 | S475 E476 N481 W482 | S475-D478 WeakPolarHBondContact CB-OD2 3.32Å; S475-D478 PolarHBondContact N-OD2 3.3Å; S475-D478 WeakPolarHBondContact O-CA 3.49Å; S475-D478 WeakPolarHBondContact O-CB 3.22Å; S475-D478 PolarHBondContact O-N 2.89Å; S475-D478 PolarHBondContact OG-N 3.15Å; S475-D478 PolarHBondContact OG-OD2 2.96Å; E476-D478 PolarHBondContact O-N 3.33Å; D478-N481 PolarHBondContact O-N 3.08Å; D478-W482 WeakPolarHBondContact O-CB 3.26Å; D478-W482 PolarHBondContact O-N 3.31Å |
| 479 | I | 88.3 | Confident | 74 | Confident | 67 Ų | 67 | 99.1 Ų | 99.1 | 34% | 0.344 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -70.4 | -44 | 178.6 | -59.2 | 177.7 | 0 | 0 | 0 | 109.8 | S475 E476 W482 A483 L505 | S475-I479 PolarHBondContact O-N 2.86Å; E476-I479 PolarHBondContact O-N 3.19Å; I479-W482 PolarHBondContact O-N 3.27Å; I479-A483 VanDerWaalsContact O-CB 3.3Å; I479-A483 WeakPolarHBondContact O-CB 3.38Å; I479-A483 PolarHBondContact O-N 2.81Å; I479-L505 HydrophobicContact CG2-CD1 4.14Å; I479-L505 HydrophobicContact CG2-CD2 4.25Å |
| 480 | E | 90.3 | Very high | 76.6 | Confident | 66 Ų | 66 | 95.4 Ų | 95.4 | 31% | 0.308 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.4 | -43.4 | 172.5 | -70 | -151.4 | 118.9 | 0 | 0 | 112.2 | E476 W482 A483 S484 I501 A502 L505 | E476-E480 WeakPolarHBondContact O-CG 3.42Å; E476-E480 PolarHBondContact O-N 3.18Å; E480-W482 VanDerWaalsContact C-N 3.33Å; E480-W482 PolarHBondContact O-N 3.35Å; E480-A483 PolarHBondContact O-N 3.19Å; E480-S484 WeakPolarHBondContact O-CB 3.44Å; E480-S484 PolarHBondContact O-N 3.35Å; E480-I501 HydrophobicContact CB-CG2 4.07Å; E480-I501 HydrophobicContact CG-CG2 4.08Å; E480-A502 WeakPolarHBondContact OE1-CB 3.37Å; E480-A502 PolarHBondContact OE1-N 3.07Å; E480-A502 VanDerWaalsContact OE1-N 3.13Å; E480-L505 HydrophobicContact CG-CD1 4.02Å |
| 481 | N | 90.3 | Very high | 79 | Confident | 81 Ų | 81 | 91.5 Ų | 91.5 | 43% | 0.433 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -60.9 | -40.2 | 176.3 | -85.6 | -40.3 | 0 | 0 | 0 | 112.2 | T477 D478 S484 | T477-N481 WeakPolarHBondContact O-CB 3.47Å; T477-N481 PolarHBondContact O-N 3.39Å; T477-N481 PolarHBondContact O-ND2 2.84Å; D478-N481 PolarHBondContact O-N 3.08Å; N481-S484 PolarHBondContact O-OG 2.85Å |
| 482 | W | 92 | Very high | 81.2 | Confident | 105 Ų | 105 | 83.7 Ų | 83.7 | 40% | 0.398 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -69.2 | -47.8 | 175.1 | -179.5 | 86.8 | 0 | 0 | 0 | 111.4 | D478 I479 E480 S484 K485 H486 F487 I517 | D478-W482 WeakPolarHBondContact O-CB 3.26Å; D478-W482 PolarHBondContact O-N 3.31Å; I479-W482 PolarHBondContact O-N 3.27Å; E480-W482 VanDerWaalsContact C-N 3.33Å; E480-W482 PolarHBondContact O-N 3.35Å; W482-S484 VanDerWaalsContact C-N 3.29Å; W482-S484 PolarHBondContact O-N 2.94Å; W482-K485 PolarHBondContact O-N 2.96Å; W482-K485 VanDerWaalsContact O-N 3.14Å; W482-H486 AromaticContact CD1-CE1 3.44Å; W482-H486 VanDerWaalsContact CD1-CE1 3.44Å; W482-H486 AromaticContact CD1-ND1 3.38Å; W482-H486 HydrophobicContact CD2-CB 4.41Å; W482-H486 AromaticContact CD2-ND1 3.77Å; W482-H486 AromaticContact CE2-CG 3.7Å; W482-H486 AromaticContact CE2-ND1 3.47Å; W482-H486 AromaticContact CG-ND1 3.7Å; W482-H486 HydrophobicContact CH2-CB 4.13Å; W482-H486 HydrophobicContact CZ2-CB 3.86Å; W482-H486 AromaticContact CZ2-CG 3.89Å; W482-H486 AromaticContact NE1-CE1 3.29Å; W482-H486 PolarHBondContact NE1-CE1 3.28Å; W482-H486 VanDerWaalsContact NE1-CE1 3.29Å; W482-H486 AromaticContact NE1-CG 3.76Å; W482-H486 AromaticContact NE1-ND1 3.21Å; W482-H486 PolarHBondContact NE1-ND1 2.94Å; W482-H486 AromaticContact NE1-NE2 3.86Å; W482-H486 PolarHBondContact O-N 3.32Å; W482-H486 VanDerWaalsContact O-N 3.15Å; W482-H486 PolarHBondContact O-ND1 3Å; W482-F487 HydrophobicContact CE3-CE1 4.48Å; W482-F487 HydrophobicContact CH2-CE1 4.43Å; W482-F487 HydrophobicContact CZ3-CD1 4.32Å; W482-F487 AromaticContact CZ3-CE1 3.7Å; W482-F487 HydrophobicContact CZ3-CE1 3.7Å; W482-I517 HydrophobicContact CH2-CD1 4.04Å; W482-I517 HydrophobicContact CH2-CG1 4.26Å |
| 483 | A | 92.4 | Very high | 83.4 | Confident | 1 Ų | 1 | 77.5 Ų | 77.5 | 1% | 0.008 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -59.6 | -38.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | I479 E480 K485 H486 F487 I501 L505 | I479-A483 VanDerWaalsContact O-CB 3.3Å; I479-A483 WeakPolarHBondContact O-CB 3.38Å; I479-A483 PolarHBondContact O-N 2.81Å; E480-A483 PolarHBondContact O-N 3.19Å; A483-K485 PolarHBondContact O-N 3.48Å; A483-H486 PolarHBondContact O-N 2.94Å; A483-F487 HydrophobicContact CB-CD1 4.17Å; A483-F487 HydrophobicContact CB-CD2 3.83Å; A483-F487 HydrophobicContact CB-CE1 4.18Å; A483-F487 HydrophobicContact CB-CE2 3.82Å; A483-F487 HydrophobicContact CB-CG 4.01Å; A483-F487 HydrophobicContact CB-CZ 3.99Å; A483-F487 VanDerWaalsContact O-CB 3.28Å; A483-F487 WeakPolarHBondContact O-CB 3.29Å; A483-F487 PolarHBondContact O-N 3.45Å; A483-I501 HydrophobicContact CB-CG2 3.75Å; A483-L505 HydrophobicContact CB-CD1 4.45Å; A483-L505 HydrophobicContact CB-CD2 4.43Å |
| 484 | S | 90.7 | Very high | 85.3 | Confident | 64 Ų | 64 | 79.6 Ų | 79.6 | 45% | 0.448 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -55.7 | -27.4 | 177.2 | 79.8 | 0 | 0 | 0 | 0 | 114.1 | E480 N481 W482 I501 | E480-S484 WeakPolarHBondContact O-CB 3.44Å; E480-S484 PolarHBondContact O-N 3.35Å; N481-S484 PolarHBondContact O-OG 2.85Å; W482-S484 VanDerWaalsContact C-N 3.29Å; W482-S484 PolarHBondContact O-N 2.94Å; S484-I501 VanDerWaalsContact CB-CD1 3.47Å |
| 485 | K | 91.6 | Very high | 86.9 | Confident | 158 Ų | 158 | 84.2 Ų | 84.2 | 69% | 0.687 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -97.8 | -31.6 | -177.7 | -63.4 | 168.4 | -171.2 | 175.6 | 0 | 112.6 | W482 A483 | W482-K485 PolarHBondContact O-N 2.96Å; W482-K485 VanDerWaalsContact O-N 3.14Å; A483-K485 PolarHBondContact O-N 3.48Å |
| 486 | H | 91.1 | Very high | 87.8 | Confident | 81 Ų | 81 | 91 Ų | 91 | 38% | 0.375 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -111.7 | -10.4 | -169.2 | -57.4 | 90.5 | 0 | 0 | 0 | 114.9 | W482 A483 I517 V518 | W482-H486 AromaticContact CD1-CE1 3.44Å; W482-H486 VanDerWaalsContact CD1-CE1 3.44Å; W482-H486 AromaticContact CD1-ND1 3.38Å; W482-H486 HydrophobicContact CD2-CB 4.41Å; W482-H486 AromaticContact CD2-ND1 3.77Å; W482-H486 AromaticContact CE2-CG 3.7Å; W482-H486 AromaticContact CE2-ND1 3.47Å; W482-H486 AromaticContact CG-ND1 3.7Å; W482-H486 HydrophobicContact CH2-CB 4.13Å; W482-H486 HydrophobicContact CZ2-CB 3.86Å; W482-H486 AromaticContact CZ2-CG 3.89Å; W482-H486 AromaticContact NE1-CE1 3.29Å; W482-H486 PolarHBondContact NE1-CE1 3.28Å; W482-H486 VanDerWaalsContact NE1-CE1 3.29Å; W482-H486 AromaticContact NE1-CG 3.76Å; W482-H486 AromaticContact NE1-ND1 3.21Å; W482-H486 PolarHBondContact NE1-ND1 2.94Å; W482-H486 AromaticContact NE1-NE2 3.86Å; W482-H486 PolarHBondContact O-N 3.32Å; W482-H486 VanDerWaalsContact O-N 3.15Å; W482-H486 PolarHBondContact O-ND1 3Å; A483-H486 PolarHBondContact O-N 2.94Å; H486-I517 CarbonylContact O-C 3.58Å; H486-I517 WeakPolarHBondContact O-CA 3.43Å; H486-V518 WeakPolarHBondContact O-CG2 3.45Å; H486-V518 PolarHBondContact O-N 3.05Å |
| 487 | F | 93.4 | Very high | 89.1 | Confident | 18 Ų | 18 | 91.8 Ų | 91.8 | 8% | 0.079 | 45% | 0.446 | C | S | . | . | B | Isolated β-bridge | trans | -87.5 | 147.3 | 178.2 | -77.7 | 9 | 0 | 0 | 0 | 113.3 | W482 A483 M504 L505 M516 I517 | W482-F487 HydrophobicContact CE3-CE1 4.48Å; W482-F487 HydrophobicContact CH2-CE1 4.43Å; W482-F487 HydrophobicContact CZ3-CD1 4.32Å; W482-F487 AromaticContact CZ3-CE1 3.7Å; W482-F487 HydrophobicContact CZ3-CE1 3.7Å; A483-F487 HydrophobicContact CB-CD1 4.17Å; A483-F487 HydrophobicContact CB-CD2 3.83Å; A483-F487 HydrophobicContact CB-CE1 4.18Å; A483-F487 HydrophobicContact CB-CE2 3.82Å; A483-F487 HydrophobicContact CB-CG 4.01Å; A483-F487 HydrophobicContact CB-CZ 3.99Å; A483-F487 VanDerWaalsContact O-CB 3.28Å; A483-F487 WeakPolarHBondContact O-CB 3.29Å; A483-F487 PolarHBondContact O-N 3.45Å; F487-M504 HydrophobicContact CB-CE 4.37Å; F487-M504 HydrophobicContact CD2-CB 4.12Å; F487-M504 HydrophobicContact CD2-CE 4.14Å; F487-M504 HydrophobicContact CD2-SD 4.36Å; F487-M504 HydrophobicContact CE2-CB 4.26Å; F487-L505 HydrophobicContact CE2-CD2 3.65Å; F487-L505 HydrophobicContact CE2-CG 4.23Å; F487-L505 HydrophobicContact CZ-CD2 3.74Å; F487-M516 CarbonylContact C-O 3.53Å; F487-M516 VanDerWaalsContact CA-O 3.25Å; F487-M516 WeakPolarHBondContact CA-O 3.5Å; F487-M516 HydrophobicContact CD1-CG 4.12Å; F487-M516 HydrophobicContact CD2-CG 3.84Å; F487-M516 HydrophobicContact CD2-SD 4.48Å; F487-M516 HydrophobicContact CE1-CE 4.17Å; F487-M516 HydrophobicContact CE1-CG 3.85Å; F487-M516 HydrophobicContact CE1-SD 4.37Å; F487-M516 HydrophobicContact CE2-CE 4.35Å; F487-M516 HydrophobicContact CE2-CG 3.58Å; F487-M516 HydrophobicContact CE2-SD 3.67Å; F487-M516 HydrophobicContact CG-CG 4.11Å; F487-M516 HydrophobicContact CZ-CE 3.67Å; F487-M516 HydrophobicContact CZ-CG 3.59Å; F487-M516 HydrophobicContact CZ-SD 3.61Å; F487-I517 HydrophobicContact CD1-CG1 4.14Å; F487-I517 HydrophobicContact CE1-CG1 3.99Å |
| 488 | N | 92.5 | Very high | 89.8 | Confident | 35 Ų | 35 | 96.3 Ų | 96.3 | 19% | 0.187 | 46% | 0.458 | C | S | . | . | trans | -66.9 | 142.4 | 167.7 | -75.8 | -60.5 | 0 | 0 | 0 | 110.5 | H490 P515 M516 I517 | N488-H490 PolarHBondContact O-CD2 3.39Å; N488-H490 VanDerWaalsContact O-CD2 3.28Å; N488-H490 PolarHBondContact O-N 3.34Å; N488-P515 PolarHBondContact ND2-O 3.44Å; N488-M516 PolarHBondContact N-O 3.28Å; N488-I517 PolarHBondContact ND2-O 3.18Å | ||
| 489 | K | 91.6 | Very high | 90.1 | Very high | 176 Ų | 176 | 93.7 Ų | 93.7 | 77% | 0.765 | 45% | 0.445 | S | S | * | . | trans | -70.5 | 99.1 | 172.1 | -69.5 | 167.4 | -177.1 | 166.5 | 0 | 109.6 | ||||
| 490 | H | 89.4 | Confident | 90.4 | Very high | 25 Ų | 25 | 93.8 Ų | 93.8 | 12% | 0.116 | 45% | 0.452 | C | S | . | . | trans | -79.9 | 151.2 | 175 | -80.3 | -81.9 | 0 | 0 | 0 | 112.2 | N488 K498 V499 M504 K514 P515 | N488-H490 PolarHBondContact O-CD2 3.39Å; N488-H490 VanDerWaalsContact O-CD2 3.28Å; N488-H490 PolarHBondContact O-N 3.34Å; H490-K498 WeakPolarHBondContact O-CA 3.3Å; H490-V499 HydrophobicContact CB-CB 4.19Å; H490-V499 HydrophobicContact CB-CG2 3.99Å; H490-V499 PolarHBondContact O-N 2.83Å; H490-M504 HydrophobicContact CB-SD 3.92Å; H490-K514 PolarHBondContact CE1-O 3.07Å; H490-K514 VanDerWaalsContact CE1-O 3.31Å; H490-P515 PolarHBondContact NE2-O 3.4Å | ||
| 491 | T | 90.9 | Very high | 90.5 | Very high | 61 Ų | 61 | 93 Ų | 93 | 37% | 0.374 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 128.5 | -179.4 | 58.4 | 0 | 0 | 0 | 0 | 111.1 | R496 R497 | T491-R496 WeakPolarHBondContact CB-O 3.45Å; T491-R496 WeakPolarHBondContact CG2-O 3.43Å; T491-R497 CarbonylContact C-O 3.52Å; T491-R497 WeakPolarHBondContact CA-O 3.35Å |
| 492 | Q | 86.9 | Confident | 90.5 | Very high | 74 Ų | 74 | 91.8 Ų | 91.8 | 35% | 0.346 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 156.9 | -175.4 | -161.9 | -179.8 | 3.4 | 0 | 0 | 111.4 | R497 V499 E510 | Q492-R497 PolarHBondContact N-O 2.91Å; Q492-R497 PolarHBondContact O-N 3.32Å; Q492-V499 HydrophobicContact CB-CG2 3.94Å; Q492-E510 PolarHBondContact NE2-OE1 3.39Å |
| 493 | G | 84.2 | Confident | 90.5 | Very high | 57 Ų | 57 | 90.9 Ų | 90.9 | 59% | 0.588 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.2 | 172.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | F495 R496 | G493-F495 VanDerWaalsContact C-N 3.29Å; G493-F495 PolarHBondContact O-N 3.2Å; G493-R496 PolarHBondContact O-N 3.44Å; G493-R496 VanDerWaalsContact O-N 3.1Å |
| 494 | L | 84 | Confident | 90.5 | Very high | 161 Ų | 161 | 92.4 Ų | 92.4 | 84% | 0.843 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -39.5 | 179.3 | -176.8 | 61.7 | 0 | 0 | 0 | 112.2 | R496 | L494-R496 PolarHBondContact O-N 2.9Š|
| 495 | F | 88.9 | Confident | 90.5 | Very high | 156 Ų | 156 | 92.7 Ų | 92.7 | 68% | 0.684 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | 5.8 | 178 | -56 | -69.5 | 0 | 0 | 0 | 114.4 | G493 R497 | G493-F495 VanDerWaalsContact C-N 3.29Å; G493-F495 PolarHBondContact O-N 3.2Å; F495-R497 HydrophobicContact CB-CG 4.2Å; F495-R497 PolarHBondContact O-N 3.48Å; F495-R497 VanDerWaalsContact O-N 3.1Å |
| 496 | R | 87.6 | Confident | 90.5 | Very high | 192 Ų | 192 | 87.9 Ų | 87.9 | 73% | 0.725 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 36.3 | 175.3 | -45.3 | 178.6 | 80.1 | -160.8 | 10.7 | 113.4 | T491 G493 L494 | T491-R496 WeakPolarHBondContact CB-O 3.45Å; T491-R496 WeakPolarHBondContact CG2-O 3.43Å; G493-R496 PolarHBondContact O-N 3.44Å; G493-R496 VanDerWaalsContact O-N 3.1Å; L494-R496 PolarHBondContact O-N 2.9Å |
| 497 | R | 92.8 | Very high | 90.6 | Very high | 179 Ų | 179 | 92 Ų | 92 | 68% | 0.675 | 46% | 0.459 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 137.1 | -178.7 | -65.9 | 179.4 | -176.8 | 154.5 | 0.8 | 109.3 | T491 Q492 F495 | T491-R497 CarbonylContact C-O 3.52Å; T491-R497 WeakPolarHBondContact CA-O 3.35Å; Q492-R497 PolarHBondContact N-O 2.91Å; Q492-R497 PolarHBondContact O-N 3.32Å; F495-R497 HydrophobicContact CB-CG 4.2Å; F495-R497 PolarHBondContact O-N 3.48Å; F495-R497 VanDerWaalsContact O-N 3.1Å |
| 498 | K | 92.4 | Very high | 90.5 | Very high | 181 Ų | 181 | 93.2 Ų | 93.2 | 79% | 0.787 | 47% | 0.469 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 134.2 | 178.1 | -65.3 | 172.6 | -175.2 | 165.8 | 0 | 109.7 | H490 | H490-K498 WeakPolarHBondContact O-CA 3.3Å |
| 499 | V | 91.8 | Very high | 90.4 | Very high | 29 Ų | 29 | 94.7 Ų | 94.7 | 18% | 0.176 | 48% | 0.483 | C | S | . | . | P | Polyproline II helix | trans | -77.9 | 137.6 | 169.9 | -170.8 | 0 | 0 | 0 | 0 | 108.3 | H490 Q492 N503 M504 | H490-V499 HydrophobicContact CB-CB 4.19Å; H490-V499 HydrophobicContact CB-CG2 3.99Å; H490-V499 PolarHBondContact O-N 2.83Å; Q492-V499 HydrophobicContact CB-CG2 3.94Å; V499-N503 HydrophobicContact CG1-CB 3.87Å; V499-M504 HydrophobicContact CB-CG 3.98Å; V499-M504 HydrophobicContact CG1-CG 3.66Å |
| 500 | S | 93.4 | Very high | 90.3 | Very high | 70 Ų | 70 | 90.4 Ų | 90.4 | 49% | 0.49 | 47% | 0.465 | S | S | . | . | P | Polyproline II helix | trans | -74.6 | 162.1 | 175.7 | 61.3 | 0 | 0 | 0 | 0 | 111.5 | N503 M504 | S500-N503 CarbonylContact O-C 3.58Å; S500-N503 PolarHBondContact O-N 2.85Å; S500-N503 VanDerWaalsContact OG-CB 3.26Å; S500-N503 WeakPolarHBondContact OG-CB 3.43Å; S500-N503 PolarHBondContact OG-N 2.88Å; S500-M504 WeakPolarHBondContact O-CG 3.39Å; S500-M504 PolarHBondContact O-N 2.93Å |
| 501 | I | 92.4 | Very high | 90.3 | Very high | 50 Ų | 50 | 91.7 Ų | 91.7 | 26% | 0.256 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.5 | -50.7 | -177.9 | -65.8 | 156 | 0 | 0 | 0 | 110.9 | E480 A483 S484 N503 M504 L505 | E480-I501 HydrophobicContact CB-CG2 4.07Å; E480-I501 HydrophobicContact CG-CG2 4.08Å; A483-I501 HydrophobicContact CB-CG2 3.75Å; S484-I501 VanDerWaalsContact CB-CD1 3.47Å; I501-N503 PolarHBondContact O-N 3.22Å; I501-M504 HydrophobicContact CB-CE 4.46Å; I501-M504 HydrophobicContact CG1-CE 3.96Å; I501-M504 CarbonylContact O-C 3.59Å; I501-M504 WeakPolarHBondContact O-CA 3.16Å; I501-M504 WeakPolarHBondContact O-CB 3.42Å; I501-M504 PolarHBondContact O-N 3.12Å; I501-L505 HydrophobicContact CG2-CD1 3.85Å; I501-L505 HydrophobicContact CG2-CG 4.4Å; I501-L505 WeakPolarHBondContact O-CG 3.16Å; I501-L505 PolarHBondContact O-N 3.18Å |
| 502 | A | 91.3 | Very high | 90.4 | Very high | 54 Ų | 54 | 90.6 Ų | 90.6 | 45% | 0.446 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -46.7 | -43.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | E480 M504 L505 A506 | E480-A502 WeakPolarHBondContact OE1-CB 3.37Å; E480-A502 PolarHBondContact OE1-N 3.07Å; E480-A502 VanDerWaalsContact OE1-N 3.13Å; A502-M504 VanDerWaalsContact C-N 3.34Å; A502-M504 PolarHBondContact O-N 3.29Å; A502-L505 PolarHBondContact O-N 3.2Å; A502-A506 WeakPolarHBondContact O-CB 3.44Å; A502-A506 PolarHBondContact O-N 3.27Å |
| 503 | N | 91.6 | Very high | 90.5 | Very high | 87 Ų | 87 | 94.3 Ų | 94.3 | 47% | 0.465 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -82.3 | -7.3 | 180 | -155.9 | 112 | 0 | 0 | 0 | 113.7 | V499 S500 I501 | V499-N503 HydrophobicContact CG1-CB 3.87Å; S500-N503 CarbonylContact O-C 3.58Å; S500-N503 PolarHBondContact O-N 2.85Å; S500-N503 VanDerWaalsContact OG-CB 3.26Å; S500-N503 WeakPolarHBondContact OG-CB 3.43Å; S500-N503 PolarHBondContact OG-N 2.88Å; I501-N503 PolarHBondContact O-N 3.22Å |
| 504 | M | 92.1 | Very high | 90.8 | Very high | 32 Ų | 32 | 96.8 Ų | 96.8 | 16% | 0.158 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -90.5 | -21.4 | 164.8 | -69.9 | -173.5 | -67 | 0 | 0 | 112.3 | F487 H490 V499 S500 I501 A502 | F487-M504 HydrophobicContact CB-CE 4.37Å; F487-M504 HydrophobicContact CD2-CB 4.12Å; F487-M504 HydrophobicContact CD2-CE 4.14Å; F487-M504 HydrophobicContact CD2-SD 4.36Å; F487-M504 HydrophobicContact CE2-CB 4.26Å; H490-M504 HydrophobicContact CB-SD 3.92Å; V499-M504 HydrophobicContact CB-CG 3.98Å; V499-M504 HydrophobicContact CG1-CG 3.66Å; S500-M504 WeakPolarHBondContact O-CG 3.39Å; S500-M504 PolarHBondContact O-N 2.93Å; I501-M504 HydrophobicContact CB-CE 4.46Å; I501-M504 HydrophobicContact CG1-CE 3.96Å; I501-M504 CarbonylContact O-C 3.59Å; I501-M504 WeakPolarHBondContact O-CA 3.16Å; I501-M504 WeakPolarHBondContact O-CB 3.42Å; I501-M504 PolarHBondContact O-N 3.12Å; A502-M504 VanDerWaalsContact C-N 3.34Å; A502-M504 PolarHBondContact O-N 3.29Å |
| 505 | L | 91.4 | Very high | 91.2 | Very high | 71 Ų | 71 | 89.6 Ų | 89.6 | 37% | 0.372 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -90.3 | -23.5 | 175.3 | -66.4 | 170.8 | 0 | 0 | 0 | 112.6 | I479 E480 A483 F487 I501 A502 | I479-L505 HydrophobicContact CG2-CD1 4.14Å; I479-L505 HydrophobicContact CG2-CD2 4.25Å; E480-L505 HydrophobicContact CG-CD1 4.02Å; A483-L505 HydrophobicContact CB-CD1 4.45Å; A483-L505 HydrophobicContact CB-CD2 4.43Å; F487-L505 HydrophobicContact CE2-CD2 3.65Å; F487-L505 HydrophobicContact CE2-CG 4.23Å; F487-L505 HydrophobicContact CZ-CD2 3.74Å; I501-L505 HydrophobicContact CG2-CD1 3.85Å; I501-L505 HydrophobicContact CG2-CG 4.4Å; I501-L505 WeakPolarHBondContact O-CG 3.16Å; I501-L505 PolarHBondContact O-N 3.18Å; A502-L505 PolarHBondContact O-N 3.2Å |
| 506 | A | 91.9 | Very high | 91.4 | Very high | 56 Ų | 56 | 86 Ų | 86 | 46% | 0.463 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -68.1 | 155.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A502 | A502-A506 WeakPolarHBondContact O-CB 3.44Å; A502-A506 PolarHBondContact O-N 3.27Å |
| 507 | W | 93.2 | Very high | 91.6 | Very high | 168 Ų | 168 | 79.7 Ų | 79.7 | 64% | 0.636 | 41% | 0.406 | S | S | * | . | trans | -59.8 | 143.7 | 169.9 | 167.3 | 87.6 | 0 | 0 | 0 | 111.4 | D541 | W507-D541 WeakPolarHBondContact CZ2-OD1 3.47Å; W507-D541 PolarHBondContact NE1-OD2 2.93Å | ||
| 508 | S | 90.6 | Very high | 91.5 | Very high | 44 Ų | 44 | 75.3 Ų | 75.3 | 31% | 0.308 | 40% | 0.399 | S | S | . | . | trans | -145.8 | 136.3 | 176.4 | -171.9 | 0 | 0 | 0 | 0 | 110.9 | E510 Q536 | S508-E510 PolarHBondContact OG-N 3.46Å; S508-Q536 PolarHBondContact O-NE2 3.4Å | ||
| 509 | S | 89.4 | Confident | 91.3 | Very high | 66 Ų | 66 | 68.7 Ų | 68.7 | 46% | 0.462 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -87.5 | -11.3 | 172.8 | 54.7 | 0 | 0 | 0 | 0 | 113.5 | Q536 | S509-Q536 PolarHBondContact O-NE2 2.86Š|
| 510 | E | 90.8 | Very high | 91.2 | Very high | 86 Ų | 86 | 74 Ų | 74 | 40% | 0.402 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -72.5 | 143.4 | 170.8 | -77.9 | -168 | -146 | 0 | 0 | 110.7 | Q492 S508 F532 Q536 | Q492-E510 PolarHBondContact NE2-OE1 3.39Å; S508-E510 PolarHBondContact OG-N 3.46Å; E510-F532 WeakPolarHBondContact O-CE1 3.43Å; E510-Q536 PolarHBondContact O-NE2 3.38Å |
| 511 | P | 89.8 | Confident | 91 | Very high | 51 Ų | 51 | 74.3 Ų | 74.3 | 33% | 0.331 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -71.1 | 130 | 171.4 | 26.4 | -28 | 0 | 0 | 0 | 111 | ||
| 512 | I | 91.3 | Very high | 90.9 | Very high | 39 Ų | 39 | 82.5 Ų | 82.5 | 20% | 0.2 | 43% | 0.43 | C | S | . | . | P | Polyproline II helix | trans | -59.6 | 140.7 | 167.8 | 66.4 | -178.2 | 0 | 0 | 0 | 110.5 | K514 V529 F532 | I512-K514 WeakPolarHBondContact CD1-O 3.42Å; I512-K514 WeakPolarHBondContact CG1-O 3.31Å; I512-V529 HydrophobicContact CG1-CG2 4.37Å; I512-V529 WeakPolarHBondContact O-CG1 3.36Å; I512-F532 HydrophobicContact CB-CD1 4.23Å; I512-F532 HydrophobicContact CB-CE1 4.41Å; I512-F532 HydrophobicContact CD1-CB 3.62Å; I512-F532 HydrophobicContact CD1-CD1 4.14Å; I512-F532 HydrophobicContact CD1-CD2 3.96Å; I512-F532 HydrophobicContact CD1-CG 3.63Å; I512-F532 HydrophobicContact CG1-CB 3.82Å; I512-F532 HydrophobicContact CG1-CD1 3.68Å; I512-F532 HydrophobicContact CG1-CD2 4.39Å; I512-F532 HydrophobicContact CG1-CE1 4.33Å; I512-F532 HydrophobicContact CG1-CG 3.7Å; I512-F532 HydrophobicContact CG2-CD1 4.02Å; I512-F532 HydrophobicContact CG2-CD2 4.44Å; I512-F532 HydrophobicContact CG2-CE1 3.79Å; I512-F532 HydrophobicContact CG2-CE2 4.25Å; I512-F532 HydrophobicContact CG2-CG 4.33Å; I512-F532 HydrophobicContact CG2-CZ 3.92Å |
| 513 | K | 90.3 | Very high | 90.8 | Very high | 151 Ų | 151 | 81.3 Ų | 81.3 | 66% | 0.657 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -98.5 | -1.7 | -177.1 | -62.4 | 174.5 | -174.4 | 168.7 | 0 | 113.3 | ||
| 514 | K | 90.9 | Very high | 90.6 | Very high | 110 Ų | 110 | 79.4 Ų | 79.4 | 48% | 0.478 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -154.8 | 159 | -177.7 | -63.6 | -176.6 | -178.4 | 177.1 | 0 | 107.6 | H490 I512 | H490-K514 PolarHBondContact CE1-O 3.07Å; H490-K514 VanDerWaalsContact CE1-O 3.31Å; I512-K514 WeakPolarHBondContact CD1-O 3.42Å; I512-K514 WeakPolarHBondContact CG1-O 3.31Å |
| 515 | P | 92.4 | Very high | 90.5 | Very high | 9 Ų | 9 | 81.5 Ų | 81.5 | 6% | 0.058 | 42% | 0.423 | C | S | . | . | trans | -55.7 | 150.7 | 167.8 | 22.7 | -33.1 | 0 | 0 | 0 | 111.4 | N488 H490 T519 K525 A528 | N488-P515 PolarHBondContact ND2-O 3.44Å; H490-P515 PolarHBondContact NE2-O 3.4Å; P515-T519 HydrophobicContact CB-CG2 4.45Å; P515-T519 HydrophobicContact CG-CG2 3.95Å; P515-K525 HydrophobicContact CG-CB 4.48Å; P515-K525 HydrophobicContact CG-CG 3.9Å; P515-A528 HydrophobicContact CB-CB 3.9Å | ||
| 516 | M | 91.4 | Very high | 90.5 | Very high | 81 Ų | 81 | 85 Ų | 85 | 40% | 0.399 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -68.4 | -47 | 177.1 | -170 | 165.5 | 65.5 | 0 | 0 | 111.2 | F487 N488 | F487-M516 CarbonylContact C-O 3.53Å; F487-M516 VanDerWaalsContact CA-O 3.25Å; F487-M516 WeakPolarHBondContact CA-O 3.5Å; F487-M516 HydrophobicContact CD1-CG 4.12Å; F487-M516 HydrophobicContact CD2-CG 3.84Å; F487-M516 HydrophobicContact CD2-SD 4.48Å; F487-M516 HydrophobicContact CE1-CE 4.17Å; F487-M516 HydrophobicContact CE1-CG 3.85Å; F487-M516 HydrophobicContact CE1-SD 4.37Å; F487-M516 HydrophobicContact CE2-CE 4.35Å; F487-M516 HydrophobicContact CE2-CG 3.58Å; F487-M516 HydrophobicContact CE2-SD 3.67Å; F487-M516 HydrophobicContact CG-CG 4.11Å; F487-M516 HydrophobicContact CZ-CE 3.67Å; F487-M516 HydrophobicContact CZ-CG 3.59Å; F487-M516 HydrophobicContact CZ-SD 3.61Å; N488-M516 PolarHBondContact N-O 3.28Å |
| 517 | I | 92.4 | Very high | 90.5 | Very high | 60 Ų | 60 | 86.8 Ų | 86.8 | 31% | 0.308 | 43% | 0.434 | S | S | . | . | B | Isolated β-bridge | trans | -85.8 | 144.1 | 177.9 | -60.5 | 168.5 | 0 | 0 | 0 | 110.7 | W482 H486 F487 N488 T519 | W482-I517 HydrophobicContact CH2-CD1 4.04Å; W482-I517 HydrophobicContact CH2-CG1 4.26Å; H486-I517 CarbonylContact O-C 3.58Å; H486-I517 WeakPolarHBondContact O-CA 3.43Å; F487-I517 HydrophobicContact CD1-CG1 4.14Å; F487-I517 HydrophobicContact CE1-CG1 3.99Å; N488-I517 PolarHBondContact ND2-O 3.18Å; I517-T519 PolarHBondContact O-N 3.23Å |
| 518 | V | 89.9 | Confident | 90.4 | Very high | 86 Ų | 86 | 79.9 Ų | 79.9 | 52% | 0.521 | 41% | 0.413 | S | S | . | . | trans | -63.4 | 126.9 | 172.3 | 177.4 | 0 | 0 | 0 | 0 | 109.9 | H486 | H486-V518 WeakPolarHBondContact O-CG2 3.45Å; H486-V518 PolarHBondContact O-N 3.05Å | ||
| 519 | T | 88.5 | Confident | 90.4 | Very high | 43 Ų | 43 | 78.9 Ų | 78.9 | 26% | 0.264 | 41% | 0.405 | S | S | . | . | trans | -141.8 | 150.7 | 174.2 | 174.6 | 0 | 0 | 0 | 0 | 110.1 | P515 I517 D521 V524 K525 | P515-T519 HydrophobicContact CB-CG2 4.45Å; P515-T519 HydrophobicContact CG-CG2 3.95Å; I517-T519 PolarHBondContact O-N 3.23Å; T519-D521 PolarHBondContact OG1-N 3.45Å; T519-V524 HydrophobicContact CG2-CG1 4.25Å; T519-K525 HydrophobicContact CG2-CG 4.03Å; T519-K525 WeakPolarHBondContact O-CE 3.43Å; T519-K525 PolarHBondContact O-NZ 3.29Å | ||
| 520 | T | 89.9 | Confident | 90.6 | Very high | 139 Ų | 139 | 78.6 Ų | 78.6 | 85% | 0.853 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -84.8 | -34.7 | 175.8 | 45.4 | 0 | 0 | 0 | 0 | 112.5 | K525 | T520-K525 PolarHBondContact O-NZ 3.21Š|
| 521 | D | 89.8 | Confident | 90.7 | Very high | 78 Ų | 78 | 74.7 Ų | 74.7 | 42% | 0.417 | 38% | 0.38 | S | S | . | . | trans | -63.4 | 147.9 | -176.7 | 179.8 | 34.4 | 0 | 0 | 0 | 113.1 | T519 G523 V524 K525 | T519-D521 PolarHBondContact OG1-N 3.45Å; D521-G523 VanDerWaalsContact CG-N 3.34Å; D521-G523 PolarHBondContact OD1-N 3.04Å; D521-G523 VanDerWaalsContact OD1-N 3.1Å; D521-G523 WeakPolarHBondContact OD2-CA 3.46Å; D521-G523 PolarHBondContact OD2-N 3.13Å; D521-G523 VanDerWaalsContact OD2-N 3.12Å; D521-V524 HydrophobicContact CB-CB 4.44Å; D521-V524 HydrophobicContact CB-CG2 4.43Å; D521-V524 WeakPolarHBondContact OD2-CG2 3.41Å; D521-V524 PolarHBondContact OD2-N 2.96Å; D521-K525 VanDerWaalsContact O-CD 3.3Å; D521-K525 WeakPolarHBondContact O-CD 3.42Å; D521-K525 WeakPolarHBondContact O-CG 3.47Å; D521-K525 PolarHBondContact O-NZ 3.04Å | ||
| 522 | R | 89.8 | Confident | 90.8 | Very high | 221 Ų | 221 | 74.6 Ų | 74.6 | 83% | 0.834 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -90.3 | -28.1 | 177 | -60.7 | -178.1 | -177.2 | -175 | 1.8 | 112.4 | ||
| 523 | G | 88.9 | Confident | 90.9 | Very high | 30 Ų | 30 | 76.2 Ų | 76.2 | 31% | 0.309 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65 | -63 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | D521 K525 K526 E527 | D521-G523 VanDerWaalsContact CG-N 3.34Å; D521-G523 PolarHBondContact OD1-N 3.04Å; D521-G523 VanDerWaalsContact OD1-N 3.1Å; D521-G523 WeakPolarHBondContact OD2-CA 3.46Å; D521-G523 PolarHBondContact OD2-N 3.13Å; D521-G523 VanDerWaalsContact OD2-N 3.12Å; G523-K525 PolarHBondContact O-N 3.36Å; G523-K526 PolarHBondContact O-N 3.48Å; G523-E527 PolarHBondContact O-N 3.29Å |
| 524 | V | 88.6 | Confident | 91 | Very high | 46 Ų | 46 | 69.9 Ų | 69.9 | 28% | 0.279 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -53.6 | -33.1 | 177.5 | 178.8 | 0 | 0 | 0 | 0 | 112.5 | T519 D521 K526 A528 L562 | T519-V524 HydrophobicContact CG2-CG1 4.25Å; D521-V524 HydrophobicContact CB-CB 4.44Å; D521-V524 HydrophobicContact CB-CG2 4.43Å; D521-V524 WeakPolarHBondContact OD2-CG2 3.41Å; D521-V524 PolarHBondContact OD2-N 2.96Å; V524-K526 VanDerWaalsContact C-N 3.32Å; V524-K526 PolarHBondContact O-N 3.06Å; V524-A528 WeakPolarHBondContact O-CB 3.28Å; V524-A528 PolarHBondContact O-N 3.21Å; V524-L562 HydrophobicContact CB-CD2 4.49Å; V524-L562 HydrophobicContact CG1-CD2 4.37Å; V524-L562 HydrophobicContact CG2-CD2 3.85Å |
| 525 | K | 90 | Very high | 91.1 | Very high | 76 Ų | 76 | 65.9 Ų | 65.9 | 33% | 0.33 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -60.5 | -36.8 | 174.9 | -88.8 | 177.8 | -170.5 | 82.7 | 0 | 113.8 | P515 T519 T520 D521 G523 V529 | P515-K525 HydrophobicContact CG-CB 4.48Å; P515-K525 HydrophobicContact CG-CG 3.9Å; T519-K525 HydrophobicContact CG2-CG 4.03Å; T519-K525 WeakPolarHBondContact O-CE 3.43Å; T519-K525 PolarHBondContact O-NZ 3.29Å; T520-K525 PolarHBondContact O-NZ 3.21Å; D521-K525 VanDerWaalsContact O-CD 3.3Å; D521-K525 WeakPolarHBondContact O-CD 3.42Å; D521-K525 WeakPolarHBondContact O-CG 3.47Å; D521-K525 PolarHBondContact O-NZ 3.04Å; G523-K525 PolarHBondContact O-N 3.36Å; K525-V529 WeakPolarHBondContact O-CG2 3.42Å |
| 526 | K | 90.6 | Very high | 91.1 | Very high | 144 Ų | 144 | 65.6 Ų | 65.6 | 63% | 0.626 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -80.7 | -51.8 | 177.4 | -176 | -166.3 | 169.6 | -159.6 | 0 | 109.7 | G523 V524 A528 V529 D530 | G523-K526 PolarHBondContact O-N 3.48Å; V524-K526 VanDerWaalsContact C-N 3.32Å; V524-K526 PolarHBondContact O-N 3.06Å; K526-A528 PolarHBondContact O-N 3.29Å; K526-V529 WeakPolarHBondContact O-CB 3.13Å; K526-V529 PolarHBondContact O-N 3.14Å; K526-D530 PolarHBondContact O-N 2.73Å; K526-D530 VanDerWaalsContact O-N 3.1Å |
| 527 | E | 91.2 | Very high | 91.2 | Very high | 95 Ų | 95 | 63 Ų | 63 | 44% | 0.444 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.7 | -43 | -174.4 | -68.9 | 172.5 | 172.5 | 0 | 0 | 112.1 | G523 V529 D530 I531 L562 | G523-E527 PolarHBondContact O-N 3.29Å; E527-V529 PolarHBondContact O-N 2.81Å; E527-D530 PolarHBondContact O-N 3.34Å; E527-D530 VanDerWaalsContact O-N 3.07Å; E527-I531 HydrophobicContact CB-CD1 4.39Å; E527-I531 WeakPolarHBondContact O-CB 3.4Å; E527-I531 VanDerWaalsContact O-CG1 3.27Å; E527-I531 WeakPolarHBondContact O-CG1 3.08Å; E527-I531 PolarHBondContact O-N 2.82Å; E527-L562 HydrophobicContact CB-CD2 4.49Å; E527-L562 WeakPolarHBondContact OE2-CD2 3.34Å |
| 528 | A | 91.3 | Very high | 91.2 | Very high | 23 Ų | 23 | 63.3 Ų | 63.3 | 19% | 0.19 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.5 | -27.3 | 176 | 0 | 0 | 0 | 0 | 0 | 113.9 | P515 V524 K526 F532 | P515-A528 HydrophobicContact CB-CB 3.9Å; V524-A528 WeakPolarHBondContact O-CB 3.28Å; V524-A528 PolarHBondContact O-N 3.21Å; K526-A528 PolarHBondContact O-N 3.29Å; A528-F532 WeakPolarHBondContact O-CB 3.33Å; A528-F532 PolarHBondContact O-N 2.86Å |
| 529 | V | 91.9 | Very high | 91.2 | Very high | 23 Ų | 23 | 63.7 Ų | 63.7 | 14% | 0.139 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -79.2 | -33.7 | 175.4 | 168.2 | 0 | 0 | 0 | 0 | 111.2 | I512 K525 K526 E527 K533 | I512-V529 HydrophobicContact CG1-CG2 4.37Å; I512-V529 WeakPolarHBondContact O-CG1 3.36Å; K525-V529 WeakPolarHBondContact O-CG2 3.42Å; K526-V529 WeakPolarHBondContact O-CB 3.13Å; K526-V529 PolarHBondContact O-N 3.14Å; E527-V529 PolarHBondContact O-N 2.81Å; V529-K533 WeakPolarHBondContact O-CE 3.35Å; V529-K533 WeakPolarHBondContact O-CG 3.36Å; V529-K533 PolarHBondContact O-N 3.18Å |
| 530 | D | 92.7 | Very high | 91.4 | Very high | 59 Ų | 59 | 64.3 Ų | 64.3 | 32% | 0.316 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -77.8 | -43.3 | 177.4 | -69.2 | -31.9 | 0 | 0 | 0 | 111.5 | K526 E527 F532 K533 L534 | K526-D530 PolarHBondContact O-N 2.73Å; K526-D530 VanDerWaalsContact O-N 3.1Å; E527-D530 PolarHBondContact O-N 3.34Å; E527-D530 VanDerWaalsContact O-N 3.07Å; D530-F532 VanDerWaalsContact C-N 3.28Å; D530-F532 PolarHBondContact O-N 3.33Å; D530-K533 WeakPolarHBondContact O-CB 3.25Å; D530-K533 PolarHBondContact O-N 2.97Å; D530-K533 IonicContact OD1-NZ 2.64Å; D530-K533 PolarHBondContact OD1-NZ 2.93Å; D530-L534 PolarHBondContact O-N 3.47Å |
| 531 | I | 92.1 | Very high | 91.4 | Very high | 5 Ų | 5 | 60.5 Ų | 60.5 | 3% | 0.026 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -55 | -41.7 | 170.3 | -70.9 | 163.4 | 0 | 0 | 0 | 111.2 | E527 K533 L534 I535 Q558 F559 L562 | E527-I531 HydrophobicContact CB-CD1 4.39Å; E527-I531 WeakPolarHBondContact O-CB 3.4Å; E527-I531 VanDerWaalsContact O-CG1 3.27Å; E527-I531 WeakPolarHBondContact O-CG1 3.08Å; E527-I531 PolarHBondContact O-N 2.82Å; I531-K533 VanDerWaalsContact C-N 3.31Å; I531-K533 PolarHBondContact O-N 3.42Å; I531-L534 CarbonylContact O-C 3.53Å; I531-L534 WeakPolarHBondContact O-CA 3.29Å; I531-L534 WeakPolarHBondContact O-CB 3.28Å; I531-L534 PolarHBondContact O-N 2.83Å; I531-I535 HydrophobicContact CG2-CD1 4Å; I531-I535 HydrophobicContact CG2-CG1 4.37Å; I531-I535 WeakPolarHBondContact O-CG1 3.46Å; I531-I535 PolarHBondContact O-N 3.15Å; I531-Q558 HydrophobicContact CD1-CB 3.88Å; I531-Q558 HydrophobicContact CG1-CB 3.82Å; I531-F559 HydrophobicContact CG2-CD2 4.33Å; I531-F559 HydrophobicContact CG2-CE1 4.23Å; I531-F559 HydrophobicContact CG2-CE2 3.88Å; I531-F559 HydrophobicContact CG2-CZ 3.83Å; I531-L562 HydrophobicContact CD1-CD1 3.34Å; I531-L562 HydrophobicContact CD1-CG 3.99Å |
| 532 | F | 93 | Very high | 91.4 | Very high | 49 Ų | 49 | 60.3 Ų | 60.3 | 22% | 0.215 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.4 | -34.6 | 178 | -175.1 | -94.7 | 0 | 0 | 0 | 112.9 | E510 I512 A528 D530 L534 Q536 | E510-F532 WeakPolarHBondContact O-CE1 3.43Å; I512-F532 HydrophobicContact CB-CD1 4.23Å; I512-F532 HydrophobicContact CB-CE1 4.41Å; I512-F532 HydrophobicContact CD1-CB 3.62Å; I512-F532 HydrophobicContact CD1-CD1 4.14Å; I512-F532 HydrophobicContact CD1-CD2 3.96Å; I512-F532 HydrophobicContact CD1-CG 3.63Å; I512-F532 HydrophobicContact CG1-CB 3.82Å; I512-F532 HydrophobicContact CG1-CD1 3.68Å; I512-F532 HydrophobicContact CG1-CD2 4.39Å; I512-F532 HydrophobicContact CG1-CE1 4.33Å; I512-F532 HydrophobicContact CG1-CG 3.7Å; I512-F532 HydrophobicContact CG2-CD1 4.02Å; I512-F532 HydrophobicContact CG2-CD2 4.44Å; I512-F532 HydrophobicContact CG2-CE1 3.79Å; I512-F532 HydrophobicContact CG2-CE2 4.25Å; I512-F532 HydrophobicContact CG2-CG 4.33Å; I512-F532 HydrophobicContact CG2-CZ 3.92Å; A528-F532 WeakPolarHBondContact O-CB 3.33Å; A528-F532 PolarHBondContact O-N 2.86Å; D530-F532 VanDerWaalsContact C-N 3.28Å; D530-F532 PolarHBondContact O-N 3.33Å; F532-L534 VanDerWaalsContact C-N 3.34Å; F532-Q536 HydrophobicContact CD1-CG 4.44Å; F532-Q536 HydrophobicContact CE1-CG 4.05Å; F532-Q536 HydrophobicContact CZ-CG 4.35Å; F532-Q536 WeakPolarHBondContact O-CG 3.3Å; F532-Q536 PolarHBondContact O-N 3.26Å |
| 533 | K | 92.9 | Very high | 91.3 | Very high | 73 Ų | 73 | 62 Ų | 62 | 32% | 0.317 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -68.3 | -36.9 | 171.2 | -58.7 | 160.8 | -161.5 | 164.7 | 0 | 110.9 | V529 D530 I531 Q536 T537 R542 | V529-K533 WeakPolarHBondContact O-CE 3.35Å; V529-K533 WeakPolarHBondContact O-CG 3.36Å; V529-K533 PolarHBondContact O-N 3.18Å; D530-K533 WeakPolarHBondContact O-CB 3.25Å; D530-K533 PolarHBondContact O-N 2.97Å; D530-K533 IonicContact OD1-NZ 2.64Å; D530-K533 PolarHBondContact OD1-NZ 2.93Å; I531-K533 VanDerWaalsContact C-N 3.31Å; I531-K533 PolarHBondContact O-N 3.42Å; K533-Q536 PolarHBondContact O-N 3.33Å; K533-T537 WeakPolarHBondContact O-CB 3.44Å; K533-T537 PolarHBondContact O-N 3.23Å; K533-T537 PolarHBondContact O-OG1 3.4Å; K533-R542 WeakPolarHBondContact O-CD 3.29Å |
| 534 | L | 92.8 | Very high | 91.2 | Very high | 18 Ų | 18 | 63.9 Ų | 63.9 | 9% | 0.094 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.7 | -43.4 | 177 | -169 | 70.7 | 0 | 0 | 0 | 111.2 | D530 I531 F532 T537 F538 L551 E554 V555 | D530-L534 PolarHBondContact O-N 3.47Å; I531-L534 CarbonylContact O-C 3.53Å; I531-L534 WeakPolarHBondContact O-CA 3.29Å; I531-L534 WeakPolarHBondContact O-CB 3.28Å; I531-L534 PolarHBondContact O-N 2.83Å; F532-L534 VanDerWaalsContact C-N 3.34Å; L534-T537 CarbonylContact O-C 3.57Å; L534-T537 WeakPolarHBondContact O-CA 3.49Å; L534-T537 WeakPolarHBondContact O-CB 2.99Å; L534-T537 PolarHBondContact O-N 3.26Å; L534-F538 PolarHBondContact O-N 2.72Å; L534-L551 HydrophobicContact CD1-CD2 3.67Å; L534-E554 HydrophobicContact CD1-CG 4.48Å; L534-E554 HydrophobicContact CD2-CB 3.94Å; L534-E554 HydrophobicContact CD2-CG 3.64Å; L534-V555 HydrophobicContact CB-CG2 4.32Å; L534-V555 HydrophobicContact CD2-CB 4.38Å; L534-V555 HydrophobicContact CD2-CG2 3.61Å; L534-V555 HydrophobicContact CG-CG2 3.63Å |
| 535 | I | 92.4 | Very high | 91.1 | Very high | 26 Ų | 26 | 71.9 Ų | 71.9 | 13% | 0.133 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -58.2 | -51.6 | 171.8 | -64.4 | 164.7 | 0 | 0 | 0 | 110.8 | I531 T537 F538 M539 V555 F559 | I531-I535 HydrophobicContact CG2-CD1 4Å; I531-I535 HydrophobicContact CG2-CG1 4.37Å; I531-I535 WeakPolarHBondContact O-CG1 3.46Å; I531-I535 PolarHBondContact O-N 3.15Å; I535-T537 PolarHBondContact O-N 3.06Å; I535-T537 VanDerWaalsContact O-N 3.16Å; I535-F538 PolarHBondContact O-N 3.45Å; I535-F538 VanDerWaalsContact O-N 3.15Å; I535-M539 HydrophobicContact CG2-CG 4.27Å; I535-M539 HydrophobicContact CG2-SD 3.68Å; I535-M539 WeakPolarHBondContact O-CB 3.41Å; I535-M539 WeakPolarHBondContact O-CG 3.44Å; I535-M539 PolarHBondContact O-N 2.96Å; I535-V555 HydrophobicContact CG1-CG1 4.3Å; I535-V555 HydrophobicContact CG1-CG2 4.48Å; I535-F559 HydrophobicContact CD1-CE2 3.62Å; I535-F559 HydrophobicContact CD1-CZ 3.63Å; I535-F559 HydrophobicContact CG1-CE2 4.12Å |
| 536 | Q | 93.1 | Very high | 91 | Very high | 3 Ų | 3 | 70.7 Ų | 70.7 | 1% | 0.014 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59.3 | -26.6 | 175.6 | -76.5 | -179 | -30.3 | 0 | 0 | 112.6 | S508 S509 E510 F532 K533 G540 D541 R542 | S508-Q536 PolarHBondContact O-NE2 3.4Å; S509-Q536 PolarHBondContact O-NE2 2.86Å; E510-Q536 PolarHBondContact O-NE2 3.38Å; F532-Q536 HydrophobicContact CD1-CG 4.44Å; F532-Q536 HydrophobicContact CE1-CG 4.05Å; F532-Q536 HydrophobicContact CZ-CG 4.35Å; F532-Q536 WeakPolarHBondContact O-CG 3.3Å; F532-Q536 PolarHBondContact O-N 3.26Å; K533-Q536 PolarHBondContact O-N 3.33Å; Q536-G540 PolarHBondContact O-N 3.19Å; Q536-D541 HydrophobicContact CB-CB 4.07Å; Q536-D541 HydrophobicContact CG-CB 4.33Å; Q536-D541 CarbonylContact O-C 3.54Å; Q536-D541 WeakPolarHBondContact O-CA 3.44Å; Q536-D541 WeakPolarHBondContact O-CB 3.39Å; Q536-D541 PolarHBondContact O-N 3.34Å; Q536-R542 HydrophobicContact CB-CG 3.94Å; Q536-R542 PolarHBondContact O-N 3.2Å; Q536-R542 VanDerWaalsContact OE1-CZ 3.22Å |
| 537 | T | 93.3 | Very high | 90.9 | Very high | 27 Ų | 27 | 67.3 Ų | 67.3 | 17% | 0.166 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -78.2 | -42.2 | 175.9 | -54.1 | 0 | 0 | 0 | 0 | 111.9 | K533 L534 I535 G540 L551 | K533-T537 WeakPolarHBondContact O-CB 3.44Å; K533-T537 PolarHBondContact O-N 3.23Å; K533-T537 PolarHBondContact O-OG1 3.4Å; L534-T537 CarbonylContact O-C 3.57Å; L534-T537 WeakPolarHBondContact O-CA 3.49Å; L534-T537 WeakPolarHBondContact O-CB 2.99Å; L534-T537 PolarHBondContact O-N 3.26Å; I535-T537 PolarHBondContact O-N 3.06Å; I535-T537 VanDerWaalsContact O-N 3.16Å; T537-G540 PolarHBondContact O-N 3.48Å; T537-L551 HydrophobicContact CG2-CD1 3.93Å; T537-L551 HydrophobicContact CG2-CD2 4.11Å |
| 538 | F | 92 | Very high | 90.6 | Very high | 65 Ų | 65 | 66.6 Ų | 66.6 | 29% | 0.285 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.7 | -40.3 | 173.2 | 171.3 | -112 | 0 | 0 | 0 | 112.3 | F10 L534 I535 G540 L551 A552 V555 | F10-F538 HydrophobicContact CE1-CE1 4.05Å; F10-F538 HydrophobicContact CE1-CZ 4.12Å; L534-F538 PolarHBondContact O-N 2.72Å; I535-F538 PolarHBondContact O-N 3.45Å; I535-F538 VanDerWaalsContact O-N 3.15Å; F538-G540 PolarHBondContact O-N 3.42Å; F538-L551 HydrophobicContact CB-CB 4.33Å; F538-L551 HydrophobicContact CD2-CB 4.38Å; F538-A552 HydrophobicContact CD2-CB 4Å; F538-A552 HydrophobicContact CE2-CB 3.59Å; F538-A552 HydrophobicContact CZ-CB 4.16Å; F538-V555 HydrophobicContact CB-CG2 4.47Å |
| 539 | M | 91.3 | Very high | 90.5 | Very high | 94 Ų | 94 | 72 Ų | 72 | 46% | 0.463 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -11.5 | 176.9 | -69.8 | 179.7 | 60.4 | 0 | 0 | 114 | I535 D541 | I535-M539 HydrophobicContact CG2-CG 4.27Å; I535-M539 HydrophobicContact CG2-SD 3.68Å; I535-M539 WeakPolarHBondContact O-CB 3.41Å; I535-M539 WeakPolarHBondContact O-CG 3.44Å; I535-M539 PolarHBondContact O-N 2.96Å; M539-D541 VanDerWaalsContact C-N 3.35Å |
| 540 | G | 91.1 | Very high | 90.4 | Very high | 57 Ų | 57 | 74 Ų | 74 | 59% | 0.588 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.9 | -3.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q536 T537 F538 R542 | Q536-G540 PolarHBondContact O-N 3.19Å; T537-G540 PolarHBondContact O-N 3.48Å; F538-G540 PolarHBondContact O-N 3.42Å; G540-R542 PolarHBondContact O-N 2.96Å |
| 541 | D | 90.3 | Very high | 90.2 | Very high | 58 Ų | 58 | 71.8 Ų | 71.8 | 31% | 0.31 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -60.5 | -21.5 | 172.3 | -63 | -31.7 | 0 | 0 | 0 | 112.4 | W507 Q536 M539 | W507-D541 WeakPolarHBondContact CZ2-OD1 3.47Å; W507-D541 PolarHBondContact NE1-OD2 2.93Å; Q536-D541 HydrophobicContact CB-CB 4.07Å; Q536-D541 HydrophobicContact CG-CB 4.33Å; Q536-D541 CarbonylContact O-C 3.54Å; Q536-D541 WeakPolarHBondContact O-CA 3.44Å; Q536-D541 WeakPolarHBondContact O-CB 3.39Å; Q536-D541 PolarHBondContact O-N 3.34Å; M539-D541 VanDerWaalsContact C-N 3.35Å |
| 542 | R | 89.3 | Confident | 90.1 | Very high | 74 Ų | 74 | 72.4 Ų | 72.4 | 28% | 0.279 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -120.3 | 134.3 | 171 | -68.4 | 171.1 | -179.1 | -66.9 | -30.3 | 111.2 | K533 Q536 G540 S544 | K533-R542 WeakPolarHBondContact O-CD 3.29Å; Q536-R542 HydrophobicContact CB-CG 3.94Å; Q536-R542 PolarHBondContact O-N 3.2Å; Q536-R542 VanDerWaalsContact OE1-CZ 3.22Å; G540-R542 PolarHBondContact O-N 2.96Å; R542-S544 PolarHBondContact O-N 3.22Å |
| 543 | R | 87.8 | Confident | 89.9 | Confident | 256 Ų | 256 | 75.3 Ų | 75.3 | 97% | 0.966 | 40% | 0.397 | S | S | * | . | trans | -69.9 | 127 | 171.1 | -56.1 | -174.6 | 74.2 | -163.7 | 4.7 | 110.2 | ||||
| 544 | S | 87.3 | Confident | 89.8 | Confident | 70 Ų | 70 | 75.8 Ų | 75.8 | 49% | 0.49 | 40% | 0.4 | S | S | . | . | trans | -135.4 | 169.1 | 169.8 | -178.7 | 0 | 0 | 0 | 0 | 110.7 | R542 A546 | R542-S544 PolarHBondContact O-N 3.22Å; S544-A546 PolarHBondContact OG-N 2.94Å; S544-A546 VanDerWaalsContact OG-N 3.11Å | ||
| 545 | K | 87 | Confident | 89.6 | Confident | 215 Ų | 215 | 75 Ų | 75 | 94% | 0.935 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -106.5 | -0.7 | 170.5 | -60.9 | -175.3 | 179.6 | -176.3 | 0 | 112.5 | ||
| 546 | A | 87.1 | Confident | 89.4 | Confident | 51 Ų | 51 | 76.2 Ų | 76.2 | 42% | 0.421 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -75.6 | 151 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | S544 L551 | S544-A546 PolarHBondContact OG-N 2.94Å; S544-A546 VanDerWaalsContact OG-N 3.11Å; A546-L551 HydrophobicContact CB-CD1 4.11Å; A546-L551 HydrophobicContact CB-CD2 3.99Å; A546-L551 HydrophobicContact CB-CG 3.93Å |
| 547 | D | 89.1 | Confident | 89.2 | Confident | 72 Ų | 72 | 80.9 Ų | 80.9 | 39% | 0.385 | 43% | 0.431 | S | S | . | . | trans | -67.5 | 134.4 | 174.7 | 151.4 | 58.2 | 0 | 0 | 0 | 111.2 | L549 S550 L551 | D547-L549 VanDerWaalsContact C-N 3.29Å; D547-L549 PolarHBondContact O-N 3.29Å; D547-L549 PolarHBondContact OD1-N 2.79Å; D547-L549 VanDerWaalsContact OD1-N 3.15Å; D547-L549 WeakPolarHBondContact OD2-CB 3.34Å; D547-L549 PolarHBondContact OD2-N 3.34Å; D547-S550 WeakPolarHBondContact O-CB 3.39Å; D547-S550 PolarHBondContact O-N 2.97Å; D547-S550 WeakPolarHBondContact OD2-CB 3.24Å; D547-S550 PolarHBondContact OD2-N 3.07Å; D547-S550 PolarHBondContact OD2-OG 3.26Å; D547-L551 WeakPolarHBondContact O-CG 3.49Å; D547-L551 PolarHBondContact O-N 2.64Å | ||
| 548 | P | 85.4 | Confident | 88.7 | Confident | 81 Ų | 81 | 82.5 Ų | 82.5 | 53% | 0.526 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -57.3 | -32.5 | 178.1 | -27.7 | 36.2 | 0 | 0 | 0 | 115.5 | A552 | P548-A552 WeakPolarHBondContact O-CB 3.15Å; P548-A552 PolarHBondContact O-N 3.5Å |
| 549 | L | 87.6 | Confident | 88.2 | Confident | 135 Ų | 135 | 81.8 Ų | 81.8 | 71% | 0.707 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -72.1 | -41.3 | 178.7 | -63.5 | 174.8 | 0 | 0 | 0 | 111.2 | D547 L551 A552 L553 | D547-L549 VanDerWaalsContact C-N 3.29Å; D547-L549 PolarHBondContact O-N 3.29Å; D547-L549 PolarHBondContact OD1-N 2.79Å; D547-L549 VanDerWaalsContact OD1-N 3.15Å; D547-L549 WeakPolarHBondContact OD2-CB 3.34Å; D547-L549 PolarHBondContact OD2-N 3.34Å; L549-L551 VanDerWaalsContact C-N 3.34Å; L549-A552 PolarHBondContact O-N 2.69Å; L549-L553 WeakPolarHBondContact O-CB 3.46Å; L549-L553 PolarHBondContact O-N 3.06Å |
| 550 | S | 89.8 | Confident | 87.5 | Confident | 66 Ų | 66 | 80 Ų | 80 | 46% | 0.462 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -60.1 | -43.2 | 172.8 | -57.8 | 0 | 0 | 0 | 0 | 111.4 | D547 L553 E554 | D547-S550 WeakPolarHBondContact O-CB 3.39Å; D547-S550 PolarHBondContact O-N 2.97Å; D547-S550 WeakPolarHBondContact OD2-CB 3.24Å; D547-S550 PolarHBondContact OD2-N 3.07Å; D547-S550 PolarHBondContact OD2-OG 3.26Å; S550-L553 PolarHBondContact O-N 3.41Å; S550-E554 WeakPolarHBondContact O-CB 3.12Å; S550-E554 PolarHBondContact O-N 2.9Å |
| 551 | L | 89.9 | Confident | 86.7 | Confident | 12 Ų | 12 | 81 Ų | 81 | 6% | 0.063 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -63.4 | -43.9 | 174.2 | -70.6 | 168.5 | 0 | 0 | 0 | 112.2 | L534 T537 F538 A546 D547 L549 L553 E554 V555 | L534-L551 HydrophobicContact CD1-CD2 3.67Å; T537-L551 HydrophobicContact CG2-CD1 3.93Å; T537-L551 HydrophobicContact CG2-CD2 4.11Å; F538-L551 HydrophobicContact CB-CB 4.33Å; F538-L551 HydrophobicContact CD2-CB 4.38Å; A546-L551 HydrophobicContact CB-CD1 4.11Å; A546-L551 HydrophobicContact CB-CD2 3.99Å; A546-L551 HydrophobicContact CB-CG 3.93Å; D547-L551 WeakPolarHBondContact O-CG 3.49Å; D547-L551 PolarHBondContact O-N 2.64Å; L549-L551 VanDerWaalsContact C-N 3.34Å; L551-L553 VanDerWaalsContact C-N 3.33Å; L551-L553 PolarHBondContact O-N 3.07Å; L551-E554 PolarHBondContact O-N 2.83Å; L551-V555 WeakPolarHBondContact O-CG2 3.4Å; L551-V555 PolarHBondContact O-N 3.42Å |
| 552 | A | 89.2 | Confident | 85.6 | Confident | 19 Ų | 19 | 79.9 Ų | 79.9 | 16% | 0.157 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -60.4 | -43.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | F538 P548 L549 V555 C556 | F538-A552 HydrophobicContact CD2-CB 4Å; F538-A552 HydrophobicContact CE2-CB 3.59Å; F538-A552 HydrophobicContact CZ-CB 4.16Å; P548-A552 WeakPolarHBondContact O-CB 3.15Å; P548-A552 PolarHBondContact O-N 3.5Å; L549-A552 PolarHBondContact O-N 2.69Å; A552-V555 PolarHBondContact O-N 3.42Å; A552-C556 PolarHBondContact O-N 3.07Å; A552-C556 PolarHBondContact O-SG 3.38Å; A552-C556 VanDerWaalsContact O-SG 3.37Å |
| 553 | L | 89.9 | Confident | 84.4 | Confident | 109 Ų | 109 | 79.2 Ų | 79.2 | 57% | 0.571 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -64.5 | -43.7 | 177.3 | -177.2 | 62.2 | 0 | 0 | 0 | 111.6 | L549 S550 L551 C556 I557 | L549-L553 WeakPolarHBondContact O-CB 3.46Å; L549-L553 PolarHBondContact O-N 3.06Å; S550-L553 PolarHBondContact O-N 3.41Å; L551-L553 VanDerWaalsContact C-N 3.33Å; L551-L553 PolarHBondContact O-N 3.07Å; L553-C556 PolarHBondContact O-N 3.5Å; L553-I557 HydrophobicContact CD1-CD1 4Å; L553-I557 HydrophobicContact CD1-CG1 4.34Å; L553-I557 HydrophobicContact CG-CD1 3.84Å; L553-I557 VanDerWaalsContact O-CG1 3.31Å; L553-I557 WeakPolarHBondContact O-CG1 3.5Å; L553-I557 PolarHBondContact O-N 3.32Å |
| 554 | E | 89.6 | Confident | 82.7 | Confident | 84 Ų | 84 | 71.6 Ų | 71.6 | 39% | 0.393 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.3 | -43 | 176.8 | -168 | -172.5 | 164.7 | 0 | 0 | 111.8 | L534 S550 L551 C556 I557 Q558 | L534-E554 HydrophobicContact CD1-CG 4.48Å; L534-E554 HydrophobicContact CD2-CB 3.94Å; L534-E554 HydrophobicContact CD2-CG 3.64Å; S550-E554 WeakPolarHBondContact O-CB 3.12Å; S550-E554 PolarHBondContact O-N 2.9Å; L551-E554 PolarHBondContact O-N 2.83Å; E554-C556 PolarHBondContact O-N 2.74Å; E554-I557 PolarHBondContact O-N 3.02Å; E554-Q558 WeakPolarHBondContact O-CB 3.4Å; E554-Q558 WeakPolarHBondContact O-CG 3.31Å; E554-Q558 PolarHBondContact O-N 2.73Å; E554-Q558 PolarHBondContact OE1-NE2 2.94Å |
| 555 | V | 89.3 | Confident | 80.9 | Confident | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -57.5 | -48.9 | 173.4 | 169.4 | 0 | 0 | 0 | 0 | 110.8 | F10 L534 I535 F538 L551 A552 F559 | F10-V555 HydrophobicContact CZ-CG1 4.3Å; L534-V555 HydrophobicContact CB-CG2 4.32Å; L534-V555 HydrophobicContact CD2-CB 4.38Å; L534-V555 HydrophobicContact CD2-CG2 3.61Å; L534-V555 HydrophobicContact CG-CG2 3.63Å; I535-V555 HydrophobicContact CG1-CG1 4.3Å; I535-V555 HydrophobicContact CG1-CG2 4.48Å; F538-V555 HydrophobicContact CB-CG2 4.47Å; L551-V555 WeakPolarHBondContact O-CG2 3.4Å; L551-V555 PolarHBondContact O-N 3.42Å; A552-V555 PolarHBondContact O-N 3.42Å; V555-F559 HydrophobicContact CG1-CD2 3.68Å; V555-F559 HydrophobicContact CG1-CE2 3.87Å; V555-F559 WeakPolarHBondContact O-CB 3.22Å; V555-F559 WeakPolarHBondContact O-CD2 3.33Å; V555-F559 PolarHBondContact O-N 2.98Å |
| 556 | C | 87.8 | Confident | 79.1 | Confident | 53 Ų | 53 | 68 Ų | 68 | 36% | 0.358 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62.6 | -43.2 | 179.4 | -74 | 0 | 0 | 0 | 0 | 112.7 | F10 A552 L553 E554 A560 | F10-C556 VanDerWaalsContact CZ-SG 3.54Å; A552-C556 PolarHBondContact O-N 3.07Å; A552-C556 PolarHBondContact O-SG 3.38Å; A552-C556 VanDerWaalsContact O-SG 3.37Å; L553-C556 PolarHBondContact O-N 3.5Å; E554-C556 PolarHBondContact O-N 2.74Å; C556-A560 WeakPolarHBondContact O-CB 3.12Å; C556-A560 PolarHBondContact O-N 2.95Å |
| 557 | I | 88.3 | Confident | 76.6 | Confident | 101 Ų | 101 | 70.8 Ų | 70.8 | 52% | 0.518 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -65.9 | -46.8 | 179.3 | -69.6 | 168.9 | 0 | 0 | 0 | 110.9 | L553 E554 F559 A560 S561 | L553-I557 HydrophobicContact CD1-CD1 4Å; L553-I557 HydrophobicContact CD1-CG1 4.34Å; L553-I557 HydrophobicContact CG-CD1 3.84Å; L553-I557 VanDerWaalsContact O-CG1 3.31Å; L553-I557 WeakPolarHBondContact O-CG1 3.5Å; L553-I557 PolarHBondContact O-N 3.32Å; E554-I557 PolarHBondContact O-N 3.02Å; I557-F559 PolarHBondContact O-N 3.34Å; I557-A560 PolarHBondContact O-N 3.34Å; I557-S561 WeakPolarHBondContact O-CB 3.27Å; I557-S561 PolarHBondContact O-N 2.92Å |
| 558 | Q | 84.3 | Confident | 74.3 | Confident | 60 Ų | 60 | 70.4 Ų | 70.4 | 28% | 0.28 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -66.5 | -37.7 | 180 | -70 | 178.7 | 13.5 | 0 | 0 | 111.7 | I531 E554 S561 L562 | I531-Q558 HydrophobicContact CD1-CB 3.88Å; I531-Q558 HydrophobicContact CG1-CB 3.82Å; E554-Q558 WeakPolarHBondContact O-CB 3.4Å; E554-Q558 WeakPolarHBondContact O-CG 3.31Å; E554-Q558 PolarHBondContact O-N 2.73Å; E554-Q558 PolarHBondContact OE1-NE2 2.94Å; Q558-S561 PolarHBondContact O-N 2.85Å; Q558-L562 PolarHBondContact O-N 3.39Å |
| 559 | F | 81.2 | Confident | 71.8 | Confident | 50 Ų | 50 | 76.6 Ų | 76.6 | 22% | 0.219 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -66.7 | -42 | 172.7 | -89.9 | -60 | 0 | 0 | 0 | 113.3 | F6 I531 I535 V555 I557 S561 L562 L563 | F6-F559 HydrophobicContact CE1-CB 3.78Å; F6-F559 HydrophobicContact CE1-CD1 4.21Å; F6-F559 AromaticContact CE1-CD2 3.72Å; F6-F559 HydrophobicContact CE1-CD2 3.72Å; F6-F559 HydrophobicContact CE1-CE2 4.27Å; F6-F559 AromaticContact CE1-CG 3.67Å; F6-F559 HydrophobicContact CE1-CG 3.67Å; F6-F559 HydrophobicContact CZ-CB 3.8Å; F6-F559 AromaticContact CZ-CD1 3.65Å; F6-F559 HydrophobicContact CZ-CD1 3.65Å; F6-F559 HydrophobicContact CZ-CD2 4.03Å; F6-F559 HydrophobicContact CZ-CE1 4.14Å; F6-F559 HydrophobicContact CZ-CE2 4.47Å; F6-F559 AromaticContact CZ-CG 3.58Å; F6-F559 HydrophobicContact CZ-CG 3.58Å; I531-F559 HydrophobicContact CG2-CD2 4.33Å; I531-F559 HydrophobicContact CG2-CE1 4.23Å; I531-F559 HydrophobicContact CG2-CE2 3.88Å; I531-F559 HydrophobicContact CG2-CZ 3.83Å; I535-F559 HydrophobicContact CD1-CE2 3.62Å; I535-F559 HydrophobicContact CD1-CZ 3.63Å; I535-F559 HydrophobicContact CG1-CE2 4.12Å; V555-F559 HydrophobicContact CG1-CD2 3.68Å; V555-F559 HydrophobicContact CG1-CE2 3.87Å; V555-F559 WeakPolarHBondContact O-CB 3.22Å; V555-F559 WeakPolarHBondContact O-CD2 3.33Å; V555-F559 PolarHBondContact O-N 2.98Å; I557-F559 PolarHBondContact O-N 3.34Å; F559-S561 VanDerWaalsContact C-N 3.29Å; F559-S561 PolarHBondContact O-N 3.47Å; F559-L562 PolarHBondContact O-N 3.23Å; F559-L563 WeakPolarHBondContact O-CG 3.23Å; F559-L563 PolarHBondContact O-N 3.38Å |
| 560 | A | 76.9 | Confident | 71 | Confident | 57 Ų | 57 | 73.7 Ų | 73.7 | 47% | 0.471 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -59.5 | -43.1 | 174 | 0 | 0 | 0 | 0 | 0 | 110.9 | C556 I557 L562 L563 C564 | C556-A560 WeakPolarHBondContact O-CB 3.12Å; C556-A560 PolarHBondContact O-N 2.95Å; I557-A560 PolarHBondContact O-N 3.34Å; A560-L562 VanDerWaalsContact C-N 3.28Å; A560-L562 PolarHBondContact O-N 3Å; A560-L563 PolarHBondContact O-N 2.92Å; A560-C564 VanDerWaalsContact O-CB 3.29Å; A560-C564 WeakPolarHBondContact O-CB 3.4Å; A560-C564 PolarHBondContact O-N 3.19Å |
| 561 | S | 74.2 | Confident | 70 | Confident | 79 Ų | 79 | 74.1 Ų | 74.1 | 55% | 0.552 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -66.1 | -23 | 177 | -164.6 | 0 | 0 | 0 | 0 | 114.4 | I557 Q558 F559 P565 | I557-S561 WeakPolarHBondContact O-CB 3.27Å; I557-S561 PolarHBondContact O-N 2.92Å; Q558-S561 PolarHBondContact O-N 2.85Å; F559-S561 VanDerWaalsContact C-N 3.29Å; F559-S561 PolarHBondContact O-N 3.47Å; S561-P565 WeakPolarHBondContact O-CD 3.46Å; S561-P565 VanDerWaalsContact O-CG 3.29Å; S561-P565 WeakPolarHBondContact O-CG 3.34Å |
| 562 | L | 67.7 | Low | 68.9 | Low | 33 Ų | 33 | 77.6 Ų | 77.6 | 17% | 0.173 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -87.8 | -21.8 | 172.8 | -78.6 | -167.3 | 0 | 0 | 0 | 114.1 | V524 E527 I531 Q558 F559 A560 | V524-L562 HydrophobicContact CB-CD2 4.49Å; V524-L562 HydrophobicContact CG1-CD2 4.37Å; V524-L562 HydrophobicContact CG2-CD2 3.85Å; E527-L562 HydrophobicContact CB-CD2 4.49Å; E527-L562 WeakPolarHBondContact OE2-CD2 3.34Å; I531-L562 HydrophobicContact CD1-CD1 3.34Å; I531-L562 HydrophobicContact CD1-CG 3.99Å; Q558-L562 PolarHBondContact O-N 3.39Å; F559-L562 PolarHBondContact O-N 3.23Å; A560-L562 VanDerWaalsContact C-N 3.28Å; A560-L562 PolarHBondContact O-N 3Å |
| 563 | L | 63.7 | Low | 67.7 | Low | 60 Ų | 60 | 81 Ų | 81 | 31% | 0.314 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -93.8 | -33.4 | -179.9 | -67.5 | 171.2 | 0 | 0 | 0 | 112.5 | Y2 F6 F559 A560 P565 I566 | Y2-L563 HydrophobicContact CD1-CD2 4.45Å; Y2-L563 HydrophobicContact CG-CD2 4.47Å; F6-L563 HydrophobicContact CE2-CD1 3.94Å; F6-L563 HydrophobicContact CZ-CD1 4.05Å; F559-L563 WeakPolarHBondContact O-CG 3.23Å; F559-L563 PolarHBondContact O-N 3.38Å; A560-L563 PolarHBondContact O-N 2.92Å; L563-P565 VanDerWaalsContact C-CD 3.47Å; L563-I566 HydrophobicContact CD2-CD1 4.34Å; L563-I566 WeakPolarHBondContact O-CB 3.28Å; L563-I566 PolarHBondContact O-N 3.44Å |
| 564 | C | 51.8 | Low | 66.3 | Low | 96 Ų | 96 | 79.3 Ų | 79.3 | 65% | 0.649 | 49% | 0.49 | S | S | * | . | G | 310 helix | trans | -59.5 | -37.9 | 179.5 | -160 | 0 | 0 | 0 | 0 | 114.7 | A560 I566 S567 | A560-C564 VanDerWaalsContact O-CB 3.29Å; A560-C564 WeakPolarHBondContact O-CB 3.4Å; A560-C564 PolarHBondContact O-N 3.19Å; C564-I566 PolarHBondContact O-N 3.11Å; C564-S567 PolarHBondContact O-N 3.39Å |
| 565 | P | 49.7 | Very low | 64.7 | Low | 95 Ų | 95 | 78.9 Ų | 78.9 | 62% | 0.617 | 50% | 0.497 | S | S | * | . | G | 310 helix | trans | -63.9 | -10.2 | 177 | -23 | 34.7 | 0 | 0 | 0 | 115.1 | S561 L563 | S561-P565 WeakPolarHBondContact O-CD 3.46Å; S561-P565 VanDerWaalsContact O-CG 3.29Å; S561-P565 WeakPolarHBondContact O-CG 3.34Å; L563-P565 VanDerWaalsContact C-CD 3.47Å |
| 566 | I | 48.1 | Very low | 63 | Low | 114 Ų | 114 | 84.6 Ų | 84.6 | 59% | 0.585 | 53% | 0.532 | S | S | * | . | G | 310 helix | trans | -85.7 | -15.7 | -176.5 | -51.3 | 179.5 | 0 | 0 | 0 | 111.3 | L563 C564 G568 | L563-I566 HydrophobicContact CD2-CD1 4.34Å; L563-I566 WeakPolarHBondContact O-CB 3.28Å; L563-I566 PolarHBondContact O-N 3.44Å; C564-I566 PolarHBondContact O-N 3.11Å; I566-G568 PolarHBondContact O-N 3.04Å |
| 567 | S | 35.4 | Very low | 61.1 | Low | 111 Ų | 111 | 87 Ų | 87 | 78% | 0.776 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -83.3 | 23.1 | 177.1 | -56.5 | 0 | 0 | 0 | 0 | 114 | C564 | C564-S567 PolarHBondContact O-N 3.39Š|
| 568 | G | 39.7 | Very low | 58.8 | Low | 64 Ų | 64 | 85.8 Ų | 85.8 | 66% | 0.66 | 55% | 0.548 | S | S | * | . | trans | -114.2 | 22.6 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | I566 | I566-G568 PolarHBondContact O-N 3.04Š| ||
| 569 | V | 33.1 | Very low | 56.5 | Low | 211 Ų | 211 | 88.2 Ų | 88.2 | 100% | 1.279 | 57% | 0.572 | S | S | * | * | trans | -141.9 | 0 | 177 | -173.4 | 0 | 0 | 0 | 0 | 109.7 |
Retrieved 569 of 569 residues in 333.6 ms
(Link to these results)