| 1 | M | 32 | Very low | 39.8 | Very low | 236 Ų | 236 | 143.3 Ų | 143.3 | 100% | 1.163 | 70% | 0.697 | S | S | * | * | | | | 0 | 4.9 | 0 | -83.3 | -178.5 | 81.8 | 0 | 0 | 113.4 | | |
| 2 | E | 34.1 | Very low | 40.7 | Very low | 168 Ų | 168 | 146 Ų | 146 | 79% | 0.785 | 70% | 0.695 | S | S | * | * | | | trans | -82.8 | -19.2 | -171.6 | -81.4 | 174 | 139.6 | 0 | 0 | 116.3 | A4 S5 | E2-A4 PolarHBondContact O-N 3.46Å; E2-S5 PolarHBondContact O-OG 3.5Å |
| 3 | N | 34.6 | Very low | 41.2 | Very low | 139 Ų | 139 | 145.7 Ų | 145.7 | 74% | 0.743 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -8.1 | -165.7 | -70.2 | -6.5 | 0 | 0 | 0 | 116 | W6 | N3-W6 VanDerWaalsContact O-CD1 3.26Å; N3-W6 PolarHBondContact O-NE1 3.26Å |
| 4 | A | 33.6 | Very low | 41.4 | Very low | 87 Ų | 87 | 139.9 Ų | 139.9 | 72% | 0.719 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | -15.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | E2 | E2-A4 PolarHBondContact O-N 3.46Š|
| 5 | S | 40.3 | Very low | 41.9 | Very low | 76 Ų | 76 | 139.3 Ų | 139.3 | 53% | 0.531 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -81.1 | -29.5 | -172.7 | 20.5 | 0 | 0 | 0 | 0 | 114.2 | E2 N8 E9 | E2-S5 PolarHBondContact O-OG 3.5Å; S5-N8 PolarHBondContact O-N 3.31Å; S5-E9 PolarHBondContact O-N 3.4Å |
| 6 | W | 38.9 | Very low | 42.6 | Very low | 148 Ų | 148 | 136.8 Ų | 136.8 | 56% | 0.561 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -78.4 | -30.2 | -167.1 | 73.4 | -80.8 | 0 | 0 | 0 | 114.6 | N3 N8 | N3-W6 VanDerWaalsContact O-CD1 3.26Å; N3-W6 PolarHBondContact O-NE1 3.26Å; W6-N8 VanDerWaalsContact C-N 3.29Å; W6-N8 PolarHBondContact O-N 2.95Å |
| 7 | W | 36.1 | Very low | 43.2 | Very low | 177 Ų | 177 | 134.4 Ų | 134.4 | 67% | 0.67 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -67.5 | -34.3 | 175.8 | -82.5 | 50.6 | 0 | 0 | 0 | 111.8 | | |
| 8 | N | 44 | Very low | 43.3 | Very low | 100 Ų | 100 | 132.1 Ų | 132.1 | 54% | 0.535 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -76.6 | -35.4 | -175.9 | -126.9 | -22.6 | 0 | 0 | 0 | 111.7 | S5 W6 W12 | S5-N8 PolarHBondContact O-N 3.31Å; W6-N8 VanDerWaalsContact C-N 3.29Å; W6-N8 PolarHBondContact O-N 2.95Å; N8-W12 VanDerWaalsContact O-CB 3.24Å; N8-W12 WeakPolarHBondContact O-CB 3.15Å; N8-W12 PolarHBondContact O-N 2.95Å |
| 9 | E | 45.8 | Very low | 43.4 | Very low | 126 Ų | 126 | 129.9 Ų | 129.9 | 59% | 0.589 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -69.6 | -38.8 | -177.2 | -135.7 | 177 | -160.5 | 0 | 0 | 112.3 | S5 K13 | S5-E9 PolarHBondContact O-N 3.4Å; E9-K13 WeakPolarHBondContact O-CB 3.34Å; E9-K13 PolarHBondContact O-N 2.85Å |
| 10 | R | 47.3 | Very low | 43.4 | Very low | 202 Ų | 202 | 127.7 Ų | 127.7 | 76% | 0.762 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -68.6 | -43.2 | 178.7 | -129.3 | 179.9 | -170.6 | 175.8 | 2.7 | 112.2 | S14 | R10-S14 VanDerWaalsContact O-CB 3.28Å; R10-S14 WeakPolarHBondContact O-CB 3.41Å; R10-S14 PolarHBondContact O-N 2.82Å |
| 11 | L | 51.7 | Low | 43.3 | Very low | 117 Ų | 117 | 129.5 Ų | 129.5 | 61% | 0.613 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -66.8 | -44.5 | 175.8 | -81.2 | 167.5 | 0 | 0 | 0 | 111.2 | K13 S14 F15 | L11-K13 PolarHBondContact O-N 2.88Å; L11-S14 PolarHBondContact O-N 3.35Å; L11-F15 VanDerWaalsContact O-CB 3.31Å; L11-F15 WeakPolarHBondContact O-CB 3.41Å; L11-F15 PolarHBondContact O-N 3.35Å |
| 12 | W | 49.6 | Very low | 43.8 | Very low | 176 Ų | 176 | 123.6 Ų | 123.6 | 67% | 0.667 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -61.5 | -43.8 | 176.1 | -101 | 81 | 0 | 0 | 0 | 112.3 | N8 F15 V16 | N8-W12 VanDerWaalsContact O-CB 3.24Å; N8-W12 WeakPolarHBondContact O-CB 3.15Å; N8-W12 PolarHBondContact O-N 2.95Å; W12-F15 WeakPolarHBondContact O-CB 3.41Å; W12-F15 PolarHBondContact O-N 3.01Å; W12-V16 HydrophobicContact CE3-CG2 4.11Å; W12-V16 WeakPolarHBondContact O-CB 3.09Å; W12-V16 VanDerWaalsContact O-CG2 3.26Å; W12-V16 WeakPolarHBondContact O-CG2 3.5Å; W12-V16 PolarHBondContact O-N 3.11Å |
| 13 | K | 48.1 | Very low | 44.1 | Very low | 142 Ų | 142 | 122.6 Ų | 122.6 | 62% | 0.617 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -66.1 | -42 | 179.4 | -156.9 | 172.3 | -173.8 | -178.1 | 0 | 111.1 | E9 L11 F15 V16 D17 | E9-K13 WeakPolarHBondContact O-CB 3.34Å; E9-K13 PolarHBondContact O-N 2.85Å; L11-K13 PolarHBondContact O-N 2.88Å; K13-F15 VanDerWaalsContact C-N 3.31Å; K13-F15 PolarHBondContact O-N 2.88Å; K13-V16 PolarHBondContact O-N 3.3Å; K13-D17 WeakPolarHBondContact O-CB 3.34Å; K13-D17 VanDerWaalsContact O-CG 3.29Å; K13-D17 PolarHBondContact O-N 2.81Å |
| 14 | S | 44.1 | Very low | 44.2 | Very low | 65 Ų | 65 | 122 Ų | 122 | 46% | 0.455 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -62.2 | -37.6 | 172 | -173.6 | 0 | 0 | 0 | 0 | 112.3 | R10 L11 H18 | R10-S14 VanDerWaalsContact O-CB 3.28Å; R10-S14 WeakPolarHBondContact O-CB 3.41Å; R10-S14 PolarHBondContact O-N 2.82Å; L11-S14 PolarHBondContact O-N 3.35Å; S14-H18 WeakPolarHBondContact O-CA 3.34Å; S14-H18 WeakPolarHBondContact O-CB 3.26Å; S14-H18 PolarHBondContact O-N 3.39Å |
| 15 | F | 47.9 | Very low | 44.1 | Very low | 131 Ų | 131 | 119 Ų | 119 | 58% | 0.575 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -67.9 | -37.6 | 176.9 | -146.2 | -80.8 | 0 | 0 | 0 | 112.7 | L11 W12 K13 L22 | L11-F15 VanDerWaalsContact O-CB 3.31Å; L11-F15 WeakPolarHBondContact O-CB 3.41Å; L11-F15 PolarHBondContact O-N 3.35Å; W12-F15 WeakPolarHBondContact O-CB 3.41Å; W12-F15 PolarHBondContact O-N 3.01Å; K13-F15 VanDerWaalsContact C-N 3.31Å; K13-F15 PolarHBondContact O-N 2.88Å; F15-L22 HydrophobicContact CD2-CD1 4.06Å; F15-L22 HydrophobicContact CE2-CD1 3.34Å; F15-L22 HydrophobicContact CZ-CD1 3.82Å |
| 16 | V | 53 | Low | 43.7 | Very low | 98 Ų | 98 | 122.7 Ų | 122.7 | 59% | 0.594 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -74.9 | -41.2 | 178.5 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | W12 K13 | W12-V16 HydrophobicContact CE3-CG2 4.11Å; W12-V16 WeakPolarHBondContact O-CB 3.09Å; W12-V16 VanDerWaalsContact O-CG2 3.26Å; W12-V16 WeakPolarHBondContact O-CG2 3.5Å; W12-V16 PolarHBondContact O-N 3.11Å; K13-V16 PolarHBondContact O-N 3.3Å |
| 17 | D | 53.9 | Low | 43.6 | Very low | 96 Ų | 96 | 122.4 Ų | 122.4 | 51% | 0.513 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -78 | -27.7 | -177.7 | -67.4 | -22.3 | 0 | 0 | 0 | 111.9 | K13 | K13-D17 WeakPolarHBondContact O-CB 3.34Å; K13-D17 VanDerWaalsContact O-CG 3.29Å; K13-D17 PolarHBondContact O-N 2.81Å |
| 18 | H | 45.4 | Very low | 43.5 | Very low | 93 Ų | 93 | 121.5 Ų | 121.5 | 43% | 0.431 | 61% | 0.606 | S | S | . | * | | | trans | -142.5 | 63.3 | -169 | -62.9 | -52.3 | 0 | 0 | 0 | 114.3 | S14 S20 Y21 | S14-H18 WeakPolarHBondContact O-CA 3.34Å; S14-H18 WeakPolarHBondContact O-CB 3.26Å; S14-H18 PolarHBondContact O-N 3.39Å; H18-S20 PolarHBondContact O-N 2.85Å; H18-S20 VanDerWaalsContact O-N 3.11Å; H18-Y21 HydrophobicContact CB-CD2 3.6Å; H18-Y21 HydrophobicContact CB-CE2 4.27Å; H18-Y21 HydrophobicContact CB-CG 4.21Å; H18-Y21 AromaticContact CG-CD2 3.92Å; H18-Y21 PolarHBondContact O-N 3.26Å |
| 19 | P | 43.8 | Very low | 42.8 | Very low | 92 Ų | 92 | 126 Ų | 126 | 60% | 0.597 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.9 | -23.3 | -179 | 23.8 | -33.3 | 0 | 0 | 0 | 114 | | |
| 20 | S | 43.4 | Very low | 42.1 | Very low | 84 Ų | 84 | 128.6 Ų | 128.6 | 59% | 0.587 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | -16.3 | -179.8 | 49.3 | 0 | 0 | 0 | 0 | 114.7 | H18 L22 N23 | H18-S20 PolarHBondContact O-N 2.85Å; H18-S20 VanDerWaalsContact O-N 3.11Å; S20-L22 PolarHBondContact O-N 2.96Å; S20-N23 PolarHBondContact O-N 2.99Å; S20-N23 VanDerWaalsContact O-N 3.08Å |
| 21 | Y | 41.2 | Very low | 41.4 | Very low | 167 Ų | 167 | 126.7 Ų | 126.7 | 66% | 0.655 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -65.3 | -22.1 | -178.5 | -96.3 | -101.5 | 0 | 0 | 0 | 113 | H18 N23 G25 | H18-Y21 HydrophobicContact CB-CD2 3.6Å; H18-Y21 HydrophobicContact CB-CE2 4.27Å; H18-Y21 HydrophobicContact CB-CG 4.21Å; H18-Y21 AromaticContact CG-CD2 3.92Å; H18-Y21 PolarHBondContact O-N 3.26Å; Y21-N23 VanDerWaalsContact C-N 3.32Å; Y21-N23 PolarHBondContact O-N 3.29Å; Y21-G25 PolarHBondContact O-N 3.05Å |
| 22 | L | 42.9 | Very low | 40.4 | Very low | 112 Ų | 112 | 126.3 Ų | 126.3 | 59% | 0.586 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -72.5 | -21.3 | 174.5 | -80.6 | 169.5 | 0 | 0 | 0 | 114.2 | F15 S20 | F15-L22 HydrophobicContact CD2-CD1 4.06Å; F15-L22 HydrophobicContact CE2-CD1 3.34Å; F15-L22 HydrophobicContact CZ-CD1 3.82Å; S20-L22 PolarHBondContact O-N 2.96Å |
| 23 | N | 41.2 | Very low | 39.5 | Very low | 146 Ų | 146 | 124.6 Ų | 124.6 | 78% | 0.781 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -83.4 | -23.9 | 179.5 | -116.4 | 19.1 | 0 | 0 | 0 | 113 | S20 Y21 | S20-N23 PolarHBondContact O-N 2.99Å; S20-N23 VanDerWaalsContact O-N 3.08Å; Y21-N23 VanDerWaalsContact C-N 3.32Å; Y21-N23 PolarHBondContact O-N 3.29Å |
| 24 | N | 35.9 | Very low | 38.6 | Very low | 128 Ų | 128 | 120.8 Ų | 120.8 | 68% | 0.684 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -105.6 | -22.8 | 179.8 | -71.9 | 9.6 | 0 | 0 | 0 | 113.3 | M26 N27 | N24-M26 VanDerWaalsContact C-N 3.28Å; N24-M26 PolarHBondContact O-N 3.48Å; N24-N27 PolarHBondContact O-N 2.85Å |
| 25 | G | 31.3 | Very low | 37.8 | Very low | 23 Ų | 23 | 120.9 Ų | 120.9 | 24% | 0.237 | 65% | 0.65 | C | S | . | * | H | α-helix | trans | -71.3 | -14.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y21 N27 E28 Y29 | Y21-G25 PolarHBondContact O-N 3.05Å; G25-N27 VanDerWaalsContact C-N 3.26Å; G25-N27 PolarHBondContact O-N 2.83Å; G25-E28 PolarHBondContact O-N 3.45Å; G25-Y29 WeakPolarHBondContact O-CD2 3.16Å |
| 26 | M | 33.1 | Very low | 36.8 | Very low | 154 Ų | 154 | 119.7 Ų | 119.7 | 76% | 0.759 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -70.9 | -20.1 | 176.1 | -82.2 | -68.5 | -150.5 | 0 | 0 | 113.3 | N24 | N24-M26 VanDerWaalsContact C-N 3.28Å; N24-M26 PolarHBondContact O-N 3.48Å |
| 27 | N | 36.1 | Very low | 35.6 | Very low | 142 Ų | 142 | 125.8 Ų | 125.8 | 76% | 0.759 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -90.1 | -19.9 | 177.5 | -72.8 | -4.2 | 0 | 0 | 0 | 113.3 | N24 G25 | N24-N27 PolarHBondContact O-N 2.85Å; G25-N27 VanDerWaalsContact C-N 3.26Å; G25-N27 PolarHBondContact O-N 2.83Å |
| 28 | E | 33.4 | Very low | 34.4 | Very low | 157 Ų | 157 | 131.1 Ų | 131.1 | 73% | 0.734 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -85.6 | -17.9 | 178.6 | -73 | -178.3 | 173.6 | 0 | 0 | 112.8 | G25 | G25-E28 PolarHBondContact O-N 3.45Å |
| 29 | Y | 29.8 | Very low | 33.5 | Very low | 195 Ų | 195 | 132.9 Ų | 132.9 | 77% | 0.765 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | 4.6 | 176.6 | -86.1 | -78.4 | 0 | 0 | 0 | 115.1 | G25 Q31 | G25-Y29 WeakPolarHBondContact O-CD2 3.16Å; Y29-Q31 VanDerWaalsContact C-N 3.28Å |
| 30 | E | 30.9 | Very low | 32.8 | Very low | 180 Ų | 180 | 132.4 Ų | 132.4 | 84% | 0.841 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | -1.6 | 165.6 | -80.9 | -162.1 | 159.5 | 0 | 0 | 113.4 | S32 | E30-S32 PolarHBondContact O-N 2.96Š|
| 31 | Q | 32.7 | Very low | 32 | Very low | 163 Ų | 163 | 137.4 Ų | 137.4 | 76% | 0.762 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -92.8 | 107.6 | 177.1 | -140.6 | 157.5 | 13.4 | 0 | 0 | 111.4 | Y29 | Y29-Q31 VanDerWaalsContact C-N 3.28Š|
| 32 | S | 30.2 | Very low | 31.3 | Very low | 109 Ų | 109 | 137.5 Ų | 137.5 | 76% | 0.762 | 72% | 0.717 | S | S | * | * | | | trans | 85.3 | 20.7 | 153.7 | -45.7 | 0 | 0 | 0 | 0 | 119.9 | E30 G34 | E30-S32 PolarHBondContact O-N 2.96Å; S32-G34 PolarHBondContact O-N 3.08Å |
| 33 | I | 32.7 | Very low | 30.6 | Very low | 140 Ų | 140 | 137.2 Ų | 137.2 | 72% | 0.718 | 73% | 0.725 | S | S | * | * | | | trans | -76 | 91.8 | 156.5 | -62.2 | 172.6 | 0 | 0 | 0 | 106.9 | G35 | I33-G35 PolarHBondContact O-N 3.03Š|
| 34 | G | 27.7 | Very low | 29.8 | Very low | 61 Ų | 61 | 134.8 Ų | 134.8 | 63% | 0.629 | 72% | 0.719 | S | S | * | * | | | trans | -40.2 | 132.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | S32 V36 | S32-G34 PolarHBondContact O-N 3.08Å; G34-V36 PolarHBondContact O-N 2.9Å |
| 35 | G | 26.7 | Very low | 29.3 | Very low | 67 Ų | 67 | 135.8 Ų | 135.8 | 69% | 0.691 | 72% | 0.724 | S | S | * | * | | | trans | -41.8 | 110.1 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | I33 R37 | I33-G35 PolarHBondContact O-N 3.03Å; G35-R37 PolarHBondContact O-N 3.02Å |
| 36 | V | 27.5 | Very low | 29.2 | Very low | 106 Ų | 106 | 141.2 Ų | 141.2 | 64% | 0.642 | 75% | 0.753 | S | S | * | * | | | trans | -60.6 | 94.6 | 157.1 | 177.4 | 0 | 0 | 0 | 0 | 104.8 | G34 Y38 | G34-V36 PolarHBondContact O-N 2.9Å; V36-Y38 VanDerWaalsContact C-N 3.31Å; V36-Y38 WeakPolarHBondContact O-CD2 3.4Å; V36-Y38 PolarHBondContact O-N 3.21Å |
| 37 | R | 27.7 | Very low | 29 | Very low | 226 Ų | 226 | 142.7 Ų | 142.7 | 85% | 0.853 | 76% | 0.755 | S | S | * | * | | | trans | -60.1 | 98.4 | 174.2 | -71 | -179.8 | -177.9 | -179.5 | 0.7 | 106.5 | G35 T39 | G35-R37 PolarHBondContact O-N 3.02Å; R37-T39 VanDerWaalsContact C-N 3.29Å; R37-T39 PolarHBondContact O-N 3.03Å |
| 38 | Y | 28.3 | Very low | 28.5 | Very low | 208 Ų | 208 | 144.5 Ų | 144.5 | 82% | 0.816 | 76% | 0.759 | S | S | * | * | | | trans | -63.1 | 96.2 | 165.5 | -79.7 | -90.3 | 0 | 0 | 0 | 107.2 | V36 S40 | V36-Y38 VanDerWaalsContact C-N 3.31Å; V36-Y38 WeakPolarHBondContact O-CD2 3.4Å; V36-Y38 PolarHBondContact O-N 3.21Å; Y38-S40 PolarHBondContact O-N 3.44Å |
| 39 | T | 27.4 | Very low | 28.2 | Very low | 130 Ų | 130 | 142.8 Ų | 142.8 | 80% | 0.798 | 76% | 0.759 | S | S | * | * | | | trans | -74.1 | 62.6 | 166.1 | 48.6 | 0 | 0 | 0 | 0 | 108.9 | R37 Q41 | R37-T39 VanDerWaalsContact C-N 3.29Å; R37-T39 PolarHBondContact O-N 3.03Å; T39-Q41 VanDerWaalsContact C-N 3.31Å; T39-Q41 PolarHBondContact O-N 3.39Å |
| 40 | S | 29.1 | Very low | 28.1 | Very low | 82 Ų | 82 | 144.1 Ų | 144.1 | 57% | 0.573 | 76% | 0.763 | S | S | * | * | | | trans | -72.5 | 93.6 | 163.9 | 162.4 | 0 | 0 | 0 | 0 | 106.9 | Y38 Q42 | Y38-S40 PolarHBondContact O-N 3.44Å; S40-Q42 PolarHBondContact O-N 3.06Å |
| 41 | Q | 25.9 | Very low | 28.1 | Very low | 190 Ų | 190 | 143 Ų | 143 | 89% | 0.888 | 76% | 0.762 | S | S | * | * | | | trans | -57.9 | 83.1 | 159.7 | -77.4 | 179.3 | -18.2 | 0 | 0 | 108.3 | T39 S43 | T39-Q41 VanDerWaalsContact C-N 3.31Å; T39-Q41 PolarHBondContact O-N 3.39Å; Q41-S43 PolarHBondContact O-N 2.95Å; Q41-S43 VanDerWaalsContact O-N 3.11Å |
| 42 | Q | 27.8 | Very low | 27.9 | Very low | 168 Ų | 168 | 139.5 Ų | 139.5 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | | | trans | -75.1 | 96.2 | 168.2 | -100 | 178.1 | -11.4 | 0 | 0 | 107.4 | S40 S44 | S40-Q42 PolarHBondContact O-N 3.06Å; Q42-S44 PolarHBondContact O-N 2.8Å; Q42-S44 VanDerWaalsContact O-N 3.16Å |
| 43 | S | 26.5 | Very low | 27.8 | Very low | 107 Ų | 107 | 141.9 Ų | 141.9 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | | | trans | -60.8 | 111.2 | 158.6 | 42.9 | 0 | 0 | 0 | 0 | 108.6 | Q41 | Q41-S43 PolarHBondContact O-N 2.95Å; Q41-S43 VanDerWaalsContact O-N 3.11Å |
| 44 | S | 25.7 | Very low | 27.4 | Very low | 94 Ų | 94 | 142 Ų | 142 | 66% | 0.657 | 76% | 0.759 | S | S | * | * | S | Bend | trans | 35.6 | 133.7 | 145.7 | 61.4 | 0 | 0 | 0 | 0 | 120.2 | Q42 | Q42-S44 PolarHBondContact O-N 2.8Å; Q42-S44 VanDerWaalsContact O-N 3.16Å |
| 45 | N | 26 | Very low | 27.5 | Very low | 149 Ų | 149 | 143.7 Ų | 143.7 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | | | trans | 98 | 49.7 | 155.9 | -55.5 | -30.8 | 0 | 0 | 0 | 117.8 | | |
| 46 | V | 28 | Very low | 27.5 | Very low | 138 Ų | 138 | 148 Ų | 148 | 84% | 0.836 | 77% | 0.765 | S | S | * | * | | | trans | -94.5 | 101.7 | 145.2 | -170.6 | 0 | 0 | 0 | 0 | 107.1 | Q48 | V46-Q48 PolarHBondContact O-N 2.85Š|
| 47 | K | 29.4 | Very low | 27.4 | Very low | 185 Ų | 185 | 148.3 Ų | 148.3 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | | | trans | -48.2 | 113.2 | 171.9 | -72.4 | 175.9 | 175.4 | 178.2 | 0 | 108.4 | V49 | K47-V49 VanDerWaalsContact C-N 3.33Å; K47-V49 PolarHBondContact O-N 2.91Å |
| 48 | Q | 25.9 | Very low | 27.5 | Very low | 180 Ų | 180 | 142.1 Ų | 142.1 | 84% | 0.841 | 76% | 0.758 | S | S | * | * | | | trans | -57.8 | 101.1 | 163.8 | -88.4 | -178.7 | -10.1 | 0 | 0 | 107.4 | V46 R50 | V46-Q48 PolarHBondContact O-N 2.85Å; Q48-R50 PolarHBondContact O-N 2.95Å |
| 49 | V | 27.1 | Very low | 27.3 | Very low | 121 Ų | 121 | 138 Ų | 138 | 73% | 0.733 | 76% | 0.755 | S | S | * | * | | | trans | -69 | 95.3 | 162 | 178.7 | 0 | 0 | 0 | 0 | 104.8 | K47 L51 | K47-V49 VanDerWaalsContact C-N 3.33Å; K47-V49 PolarHBondContact O-N 2.91Å; V49-L51 PolarHBondContact O-N 2.89Å |
| 50 | R | 26.3 | Very low | 27.3 | Very low | 223 Ų | 223 | 139.1 Ų | 139.1 | 84% | 0.842 | 76% | 0.755 | S | S | * | * | | | trans | -56.4 | 95.1 | 164 | -81.6 | -179.8 | 173.6 | 139.6 | -2.6 | 106.7 | Q48 S52 | Q48-R50 PolarHBondContact O-N 2.95Å; R50-S52 PolarHBondContact O-N 3.21Å |
| 51 | L | 30.7 | Very low | 27.2 | Very low | 157 Ų | 157 | 140.3 Ų | 140.3 | 82% | 0.822 | 76% | 0.761 | S | S | * | * | | | trans | -67.2 | 96.5 | 157.2 | -78.9 | 161.7 | 0 | 0 | 0 | 105.1 | V49 N53 | V49-L51 PolarHBondContact O-N 2.89Å; L51-N53 PolarHBondContact O-N 2.78Å |
| 52 | S | 28.9 | Very low | 27.2 | Very low | 88 Ų | 88 | 137.8 Ų | 137.8 | 62% | 0.615 | 75% | 0.753 | S | S | * | * | | | trans | -39.7 | 127.6 | 166.9 | 46.3 | 0 | 0 | 0 | 0 | 110.1 | R50 I54 | R50-S52 PolarHBondContact O-N 3.21Å; S52-I54 PolarHBondContact O-N 3.15Å |
| 53 | N | 28.3 | Very low | 27.2 | Very low | 159 Ų | 159 | 138.2 Ų | 138.2 | 85% | 0.85 | 76% | 0.759 | S | S | * | * | | | trans | -38.1 | 98.9 | 165.7 | -60.7 | -25.3 | 0 | 0 | 0 | 110.5 | L51 P55 | L51-N53 PolarHBondContact O-N 2.78Å; N53-P55 WeakPolarHBondContact O-CD 3.21Å |
| 54 | I | 24.6 | Very low | 27.1 | Very low | 142 Ų | 142 | 136.7 Ų | 136.7 | 73% | 0.728 | 75% | 0.748 | S | S | * | * | | | trans | -96.5 | 97.6 | 159.7 | -62.5 | 172.7 | 0 | 0 | 0 | 104.4 | S52 I56 | S52-I54 PolarHBondContact O-N 3.15Å; I54-I56 PolarHBondContact O-N 2.99Å; I54-I56 VanDerWaalsContact O-N 3.11Å |
| 55 | P | 29.3 | Very low | 27.1 | Very low | 97 Ų | 97 | 138.8 Ų | 138.8 | 63% | 0.63 | 75% | 0.752 | S | S | * | * | | | trans | -62.7 | 114.6 | 171 | 24.7 | -30.8 | 0 | 0 | 0 | 107.7 | N53 V57 | N53-P55 WeakPolarHBondContact O-CD 3.21Å; P55-V57 PolarHBondContact O-N 3.42Å |
| 56 | I | 27.9 | Very low | 27.3 | Very low | 157 Ų | 157 | 139.9 Ų | 139.9 | 81% | 0.805 | 76% | 0.756 | S | S | * | * | | | trans | -70.9 | 92 | 166.2 | -61.1 | 174.2 | 0 | 0 | 0 | 105.6 | I54 S58 | I54-I56 PolarHBondContact O-N 2.99Å; I54-I56 VanDerWaalsContact O-N 3.11Å; I56-S58 VanDerWaalsContact C-N 3.33Å; I56-S58 PolarHBondContact O-N 2.92Å |
| 57 | V | 25.6 | Very low | 27.3 | Very low | 113 Ų | 113 | 140.1 Ų | 140.1 | 69% | 0.685 | 75% | 0.752 | S | S | * | * | | | trans | -67.3 | 92.3 | 169 | 178.3 | 0 | 0 | 0 | 0 | 106.7 | P55 T59 | P55-V57 PolarHBondContact O-N 3.42Å; V57-T59 PolarHBondContact O-N 2.84Å |
| 58 | S | 27.9 | Very low | 27.1 | Very low | 96 Ų | 96 | 142.1 Ų | 142.1 | 67% | 0.671 | 75% | 0.754 | S | S | * | * | | | trans | -89.2 | 93.7 | 160.8 | 63.2 | 0 | 0 | 0 | 0 | 108.2 | I56 I60 | I56-S58 VanDerWaalsContact C-N 3.33Å; I56-S58 PolarHBondContact O-N 2.92Å; S58-I60 PolarHBondContact O-N 2.9Å |
| 59 | T | 24 | Very low | 27.1 | Very low | 122 Ų | 122 | 138.6 Ų | 138.6 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | | | trans | -53.4 | 98.5 | 163.6 | 11.8 | 0 | 0 | 0 | 0 | 109.7 | V57 | V57-T59 PolarHBondContact O-N 2.84Š|
| 60 | I | 28.5 | Very low | 27 | Very low | 153 Ų | 153 | 140.6 Ų | 140.6 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | | | trans | -102.4 | 106.8 | 154.7 | -61.5 | 178.4 | 0 | 0 | 0 | 106.4 | S58 | S58-I60 PolarHBondContact O-N 2.9Š|
| 61 | P | 27 | Very low | 27.1 | Very low | 108 Ų | 108 | 135.1 Ų | 135.1 | 70% | 0.701 | 75% | 0.752 | S | S | * | * | | | trans | -77.9 | 138.6 | 176.5 | 30.7 | -31.2 | 0 | 0 | 0 | 110.9 | | |
| 62 | N | 25 | Very low | 26.9 | Very low | 137 Ų | 137 | 135.7 Ų | 135.7 | 73% | 0.733 | 76% | 0.756 | S | S | * | * | | | trans | 80.4 | 82.4 | 140.7 | -148.8 | 13.4 | 0 | 0 | 0 | 118.4 | | |
| 63 | I | 28.1 | Very low | 26.9 | Very low | 176 Ų | 176 | 136.6 Ų | 136.6 | 90% | 0.903 | 76% | 0.763 | S | S | * | * | | | trans | -130.4 | 107.2 | 132.6 | -56.3 | -179.8 | 0 | 0 | 0 | 108.3 | | |
| 64 | S | 25.1 | Very low | 26.8 | Very low | 75 Ų | 75 | 135.7 Ų | 135.7 | 52% | 0.524 | 76% | 0.758 | S | S | . | * | | | trans | -70.4 | 150.6 | 168.4 | 49.9 | 0 | 0 | 0 | 0 | 112.6 | | |
| 65 | N | 25.6 | Very low | 26.8 | Very low | 139 Ų | 139 | 138.5 Ų | 138.5 | 74% | 0.743 | 76% | 0.761 | S | S | * | * | | | trans | 75.8 | 85.5 | 153.3 | -58.1 | -20.8 | 0 | 0 | 0 | 118.5 | | |
| 66 | I | 29.1 | Very low | 26.7 | Very low | 172 Ų | 172 | 142 Ų | 142 | 88% | 0.882 | 77% | 0.768 | S | S | * | * | | | trans | -128.1 | 114 | 130 | -64.4 | -178 | 0 | 0 | 0 | 107.7 | | |
| 67 | L | 28.2 | Very low | 26.7 | Very low | 142 Ų | 142 | 142.6 Ų | 142.6 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | | | trans | -57.3 | 148.8 | 164.7 | -71.1 | 83.7 | 0 | 0 | 0 | 109.6 | | |
| 68 | R | 25.1 | Very low | 26.9 | Very low | 227 Ų | 227 | 141.6 Ų | 141.6 | 86% | 0.857 | 77% | 0.767 | S | S | * | * | | | | 149.5 | 143.2 | 101 | -149.5 | 166.9 | -169.6 | 170.3 | 0.2 | 112 | | |
| 69 | S | 26.3 | Very low | 26.9 | Very low | 106 Ų | 106 | 143.9 Ų | 143.9 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | | | trans | 72.7 | 102 | 158.6 | 36.2 | 0 | 0 | 0 | 0 | 119.5 | | |
| 70 | N | 25 | Very low | 27 | Very low | 164 Ų | 164 | 143.6 Ų | 143.6 | 88% | 0.877 | 76% | 0.764 | S | S | * | * | | | trans | -57.5 | 138.9 | 146.5 | -64.9 | -27.8 | 0 | 0 | 0 | 111 | | |
| 71 | S | 28.2 | Very low | 27 | Very low | 108 Ų | 108 | 145.7 Ų | 145.7 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | | | trans | -162.7 | 113.9 | 145 | 46 | 0 | 0 | 0 | 0 | 109.2 | S73 | S71-S73 PolarHBondContact O-N 2.83Š|
| 72 | D | 26.3 | Very low | 27.1 | Very low | 169 Ų | 169 | 146.7 Ų | 146.7 | 90% | 0.904 | 77% | 0.767 | S | S | * | * | | | trans | -58.6 | 119.9 | 168.1 | -64.1 | -63.4 | 0 | 0 | 0 | 111.1 | | |
| 73 | S | 30.3 | Very low | 27.3 | Very low | 107 Ų | 107 | 145 Ų | 145 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | | | trans | -163.7 | 93 | 151.5 | 60.8 | 0 | 0 | 0 | 0 | 110.9 | S71 | S71-S73 PolarHBondContact O-N 2.83Š|
| 74 | N | 24.5 | Very low | 27.3 | Very low | 140 Ų | 140 | 144.7 Ų | 144.7 | 75% | 0.749 | 76% | 0.761 | S | S | * | * | | | | 11.7 | 127.5 | 128.4 | -102.3 | -18.9 | 0 | 0 | 0 | 118.5 | | |
| 75 | Y | 26.7 | Very low | 27.4 | Very low | 201 Ų | 201 | 146.7 Ų | 146.7 | 79% | 0.788 | 77% | 0.771 | S | S | * | * | | | trans | 63.2 | 95.8 | 157.2 | -61.9 | -80.1 | 0 | 0 | 0 | 118.6 | | |
| 76 | Q | 26.6 | Very low | 27.3 | Very low | 170 Ų | 170 | 145.5 Ų | 145.5 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | | | | -161.7 | 102.8 | 123.3 | -145.4 | 94.1 | 21.8 | 0 | 0 | 107.8 | V78 | Q76-V78 HydrophobicContact CB-CG2 3.99Å; Q76-V78 HydrophobicContact CG-CG2 3.48Å; Q76-V78 VanDerWaalsContact CG-CG2 3.48Å; Q76-V78 PolarHBondContact O-N 2.94Å |
| 77 | N | 27 | Very low | 27.2 | Very low | 170 Ų | 170 | 143.1 Ų | 143.1 | 91% | 0.909 | 76% | 0.762 | S | S | * | * | | | trans | -68.3 | 70.7 | 161.3 | -93.9 | -19.5 | 0 | 0 | 0 | 107.5 | I79 | N77-I79 VanDerWaalsContact C-N 3.35Å; N77-I79 PolarHBondContact O-N 2.87Å |
| 78 | V | 29.5 | Very low | 27.1 | Very low | 92 Ų | 92 | 145.8 Ų | 145.8 | 56% | 0.558 | 77% | 0.768 | S | S | * | * | | | trans | -78.6 | 101.6 | 158.9 | -172.4 | 0 | 0 | 0 | 0 | 103.8 | Q76 N80 | Q76-V78 HydrophobicContact CB-CG2 3.99Å; Q76-V78 HydrophobicContact CG-CG2 3.48Å; Q76-V78 VanDerWaalsContact CG-CG2 3.48Å; Q76-V78 PolarHBondContact O-N 2.94Å; V78-N80 WeakPolarHBondContact CG1-OD1 3.37Å; V78-N80 PolarHBondContact O-N 3.21Å |
| 79 | I | 28 | Very low | 27.2 | Very low | 144 Ų | 144 | 142.6 Ų | 142.6 | 74% | 0.738 | 76% | 0.763 | S | S | * | * | | | trans | -60.5 | 87 | 160.4 | -61.9 | 169.7 | 0 | 0 | 0 | 104.1 | N77 F81 | N77-I79 VanDerWaalsContact C-N 3.35Å; N77-I79 PolarHBondContact O-N 2.87Å; I79-F81 PolarHBondContact O-N 3.11Å |
| 80 | N | 27.1 | Very low | 27.2 | Very low | 116 Ų | 116 | 144.1 Ų | 144.1 | 62% | 0.62 | 76% | 0.763 | S | S | * | * | | | trans | -60.2 | 110 | 169 | -91.3 | -6.6 | 0 | 0 | 0 | 105 | V78 D82 | V78-N80 WeakPolarHBondContact CG1-OD1 3.37Å; V78-N80 PolarHBondContact O-N 3.21Å; N80-D82 PolarHBondContact O-N 2.95Å |
| 81 | F | 28.4 | Very low | 27.4 | Very low | 197 Ų | 197 | 141.1 Ų | 141.1 | 86% | 0.864 | 75% | 0.746 | S | S | * | * | | | trans | -60.4 | 73.9 | 152.6 | -88.5 | -95.2 | 0 | 0 | 0 | 106.7 | I79 S83 | I79-F81 PolarHBondContact O-N 3.11Å; F81-S83 PolarHBondContact O-N 3.35Å |
| 82 | D | 30 | Very low | 27.4 | Very low | 128 Ų | 128 | 141 Ų | 141 | 68% | 0.684 | 75% | 0.745 | S | S | * | * | | | trans | -66.9 | 97.7 | 155.6 | -88.8 | -21 | 0 | 0 | 0 | 104.4 | N80 Q84 | N80-D82 PolarHBondContact O-N 2.95Å; D82-Q84 PolarHBondContact O-N 3.44Å |
| 83 | S | 28.5 | Very low | 27.6 | Very low | 103 Ų | 103 | 138.9 Ų | 138.9 | 72% | 0.72 | 74% | 0.739 | S | S | * | * | | | trans | -54.7 | 77.2 | 157.9 | 47.7 | 0 | 0 | 0 | 0 | 107.7 | F81 T85 | F81-S83 PolarHBondContact O-N 3.35Å; S83-T85 PolarHBondContact O-N 2.93Å |
| 84 | Q | 27.5 | Very low | 27.6 | Very low | 169 Ų | 169 | 139.9 Ų | 139.9 | 79% | 0.79 | 74% | 0.736 | S | S | * | * | | | trans | -64.7 | 88.2 | 155.8 | -82.7 | -169.6 | 16.1 | 0 | 0 | 105.6 | D82 T86 | D82-Q84 PolarHBondContact O-N 3.44Å; Q84-T86 PolarHBondContact O-N 2.86Å |
| 85 | T | 26.9 | Very low | 27.9 | Very low | 117 Ų | 117 | 143 Ų | 143 | 72% | 0.718 | 74% | 0.742 | S | S | * | * | | | trans | -50.1 | 95 | 150.5 | 40.9 | 0 | 0 | 0 | 0 | 105.7 | S83 T87 | S83-T85 PolarHBondContact O-N 2.93Å; T85-T87 PolarHBondContact O-N 3.02Å |
| 86 | T | 25 | Very low | 28.1 | Very low | 113 Ų | 113 | 138.1 Ų | 138.1 | 69% | 0.693 | 74% | 0.738 | S | S | * | * | | | trans | -58.3 | 94.3 | 161 | 35.5 | 0 | 0 | 0 | 0 | 105.6 | Q84 F88 | Q84-T86 PolarHBondContact O-N 2.86Å; T86-F88 PolarHBondContact O-N 3.01Å; T86-F88 VanDerWaalsContact O-N 3.12Å |
| 87 | T | 25.8 | Very low | 28.4 | Very low | 122 Ų | 122 | 135.2 Ų | 135.2 | 75% | 0.748 | 74% | 0.736 | S | S | * | * | | | trans | -57 | 116.7 | 165.4 | 29.9 | 0 | 0 | 0 | 0 | 105.3 | T85 Q89 | T85-T87 PolarHBondContact O-N 3.02Å; T87-Q89 PolarHBondContact O-N 2.92Å |
| 88 | F | 27 | Very low | 28.3 | Very low | 198 Ų | 198 | 134.3 Ų | 134.3 | 87% | 0.868 | 73% | 0.731 | S | S | * | * | | | trans | -61.2 | 89.7 | 170.5 | -75.2 | -92.1 | 0 | 0 | 0 | 106.9 | T86 D90 | T86-F88 PolarHBondContact O-N 3.01Å; T86-F88 VanDerWaalsContact O-N 3.12Å; F88-D90 VanDerWaalsContact C-N 3.34Å; F88-D90 PolarHBondContact O-N 2.95Å; F88-D90 VanDerWaalsContact O-N 3.09Å |
| 89 | Q | 26.3 | Very low | 28.5 | Very low | 161 Ų | 161 | 134.8 Ų | 134.8 | 75% | 0.752 | 74% | 0.736 | S | S | * | * | | | trans | -74.7 | 100.7 | 167.3 | -146.1 | 167.9 | 13.8 | 0 | 0 | 104.8 | T87 N91 | T87-Q89 PolarHBondContact O-N 2.92Å; Q89-N91 PolarHBondContact O-N 3.28Å |
| 90 | D | 27.1 | Very low | 28.6 | Very low | 138 Ų | 138 | 136.5 Ų | 136.5 | 74% | 0.738 | 74% | 0.741 | S | S | * | * | | | trans | -54.3 | 88.8 | 170.4 | -104 | -27.2 | 0 | 0 | 0 | 108.4 | F88 S92 | F88-D90 VanDerWaalsContact C-N 3.34Å; F88-D90 PolarHBondContact O-N 2.95Å; F88-D90 VanDerWaalsContact O-N 3.09Å; D90-S92 PolarHBondContact O-N 2.93Å |
| 91 | N | 28.4 | Very low | 28.8 | Very low | 100 Ų | 100 | 138.6 Ų | 138.6 | 54% | 0.535 | 75% | 0.752 | S | S | . | * | | | trans | -74.2 | 40.4 | 171.8 | -79.1 | -22.9 | 0 | 0 | 0 | 110.8 | Q89 T93 L94 | Q89-N91 PolarHBondContact O-N 3.28Å; N91-T93 PolarHBondContact O-N 2.83Å; N91-L94 PolarHBondContact O-N 3.18Å |
| 92 | S | 28.8 | Very low | 29 | Very low | 105 Ų | 105 | 134.8 Ų | 134.8 | 73% | 0.734 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | -3.1 | 173.7 | 60.3 | 0 | 0 | 0 | 0 | 113 | D90 | D90-S92 PolarHBondContact O-N 2.93Š|
| 93 | T | 30.4 | Very low | 29.1 | Very low | 126 Ų | 126 | 132.5 Ų | 132.5 | 77% | 0.773 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.3 | -9.6 | 176.8 | 47 | 0 | 0 | 0 | 0 | 114.8 | N91 K95 | N91-T93 PolarHBondContact O-N 2.83Å; T93-K95 PolarHBondContact O-N 3.19Å |
| 94 | L | 29.7 | Very low | 29.4 | Very low | 128 Ų | 128 | 134 Ų | 134 | 67% | 0.67 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -88.8 | 94.8 | 169.5 | -87.7 | 143.4 | 0 | 0 | 0 | 107.9 | N91 S96 | N91-L94 PolarHBondContact O-N 3.18Å; L94-S96 PolarHBondContact O-N 2.89Å |
| 95 | K | 30.5 | Very low | 29.8 | Very low | 205 Ų | 205 | 129.6 Ų | 129.6 | 89% | 0.891 | 73% | 0.729 | S | S | * | * | | | trans | -44.7 | 98.2 | 159.9 | -80.1 | 177.1 | 176.6 | 173.9 | 0 | 107.2 | T93 S97 | T93-K95 PolarHBondContact O-N 3.19Å; K95-S97 PolarHBondContact O-N 2.96Å |
| 96 | S | 31 | Very low | 30.1 | Very low | 99 Ų | 99 | 129.9 Ų | 129.9 | 69% | 0.692 | 73% | 0.726 | S | S | * | * | | | trans | -57.9 | 119.4 | 168.1 | 50.4 | 0 | 0 | 0 | 0 | 105 | L94 N98 | L94-S96 PolarHBondContact O-N 2.89Å; S96-N98 PolarHBondContact O-N 2.84Å |
| 97 | S | 33.1 | Very low | 30.6 | Very low | 109 Ų | 109 | 132.2 Ų | 132.2 | 76% | 0.762 | 73% | 0.727 | S | S | * | * | | | trans | -46 | 117 | 162.5 | 47.1 | 0 | 0 | 0 | 0 | 105.8 | K95 P99 | K95-S97 PolarHBondContact O-N 2.96Å; S97-P99 VanDerWaalsContact O-N 3.09Å |
| 98 | N | 26.3 | Very low | 30.9 | Very low | 151 Ų | 151 | 133 Ų | 133 | 81% | 0.807 | 72% | 0.722 | S | S | * | * | | | trans | -34.6 | 122.1 | -179.7 | -103.5 | -33.4 | 0 | 0 | 0 | 108.4 | S96 Q100 | S96-N98 PolarHBondContact O-N 2.84Å; N98-Q100 PolarHBondContact O-N 2.91Å |
| 99 | P | 31.8 | Very low | 31.2 | Very low | 101 Ų | 101 | 129.1 Ų | 129.1 | 66% | 0.656 | 71% | 0.707 | S | S | * | * | | | trans | -49.7 | 121 | 179.9 | 20.1 | -30.7 | 0 | 0 | 0 | 105.8 | S97 L101 | S97-P99 VanDerWaalsContact O-N 3.09Å; P99-L101 PolarHBondContact O-N 3Å |
| 100 | Q | 31.3 | Very low | 31.6 | Very low | 180 Ų | 180 | 126.6 Ų | 126.6 | 84% | 0.841 | 70% | 0.697 | S | S | * | * | | | trans | -52.9 | 103.6 | 177.5 | -155.7 | 169.9 | 10.4 | 0 | 0 | 103.9 | N98 C102 | N98-Q100 PolarHBondContact O-N 2.91Å; Q100-C102 PolarHBondContact O-N 3.05Å |
| 101 | L | 31.3 | Very low | 31.8 | Very low | 161 Ų | 161 | 123.5 Ų | 123.5 | 84% | 0.843 | 69% | 0.686 | S | S | * | * | | | trans | -58.2 | 97.1 | 176 | -86.5 | 156.4 | 0 | 0 | 0 | 102.8 | P99 S103 | P99-L101 PolarHBondContact O-N 3Å; L101-S103 PolarHBondContact O-N 2.83Å |
| 102 | C | 32.6 | Very low | 32 | Very low | 116 Ų | 116 | 121.5 Ų | 121.5 | 78% | 0.784 | 68% | 0.679 | S | S | * | * | | | trans | -61.3 | 80.4 | 162.9 | -74.6 | 0 | 0 | 0 | 0 | 103.3 | Q100 N104 | Q100-C102 PolarHBondContact O-N 3.05Å; C102-N104 PolarHBondContact O-N 3.02Å |
| 103 | S | 32.2 | Very low | 32.5 | Very low | 80 Ų | 80 | 127.1 Ų | 127.1 | 56% | 0.559 | 68% | 0.684 | S | S | * | * | | | trans | -56.8 | 107.5 | -179 | 53.2 | 0 | 0 | 0 | 0 | 104.6 | L101 S105 | L101-S103 PolarHBondContact O-N 2.83Å; S103-S105 PolarHBondContact O-N 3.03Å |
| 104 | N | 33.7 | Very low | 32.6 | Very low | 136 Ų | 136 | 128.7 Ų | 128.7 | 73% | 0.727 | 68% | 0.683 | S | S | * | * | | | trans | -31.4 | 96.8 | -176.9 | -77.9 | -46.9 | 0 | 0 | 0 | 110.8 | C102 L106 F107 | C102-N104 PolarHBondContact O-N 3.02Å; N104-L106 PolarHBondContact O-N 3.08Å; N104-F107 PolarHBondContact O-N 3.2Å; N104-F107 VanDerWaalsContact O-N 3.12Å |
| 105 | S | 36 | Very low | 32.8 | Very low | 75 Ų | 75 | 126.4 Ų | 126.4 | 52% | 0.524 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -62.3 | -13.8 | -177.1 | 64 | 0 | 0 | 0 | 0 | 111.1 | S103 Q109 | S103-S105 PolarHBondContact O-N 3.03Å; S105-Q109 WeakPolarHBondContact O-CB 3.46Å; S105-Q109 WeakPolarHBondContact O-CG 3.1Å; S105-Q109 PolarHBondContact O-N 2.75Å |
| 106 | L | 34.5 | Very low | 32.8 | Very low | 124 Ų | 124 | 122.1 Ų | 122.1 | 65% | 0.649 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -65.4 | -42.1 | 175 | -145.2 | 83.7 | 0 | 0 | 0 | 112.6 | N104 Q109 I110 | N104-L106 PolarHBondContact O-N 3.08Å; L106-Q109 PolarHBondContact O-N 3.5Å; L106-I110 WeakPolarHBondContact O-CG1 3.33Å; L106-I110 PolarHBondContact O-N 3.09Å; L106-I110 VanDerWaalsContact O-N 3.13Å |
| 107 | F | 33.8 | Very low | 32.8 | Very low | 161 Ų | 161 | 122.5 Ų | 122.5 | 71% | 0.706 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -75.3 | -36.5 | -178.9 | -141.4 | -87.4 | 0 | 0 | 0 | 111.2 | N104 I110 C111 | N104-F107 PolarHBondContact O-N 3.2Å; N104-F107 VanDerWaalsContact O-N 3.12Å; F107-I110 PolarHBondContact O-N 3.49Å; F107-C111 PolarHBondContact O-N 3.02Å |
| 108 | Q | 33.2 | Very low | 32.6 | Very low | 138 Ų | 138 | 123 Ų | 123 | 65% | 0.645 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -70.9 | -31.3 | 171.5 | -88.3 | -171 | -6.1 | 0 | 0 | 113.2 | C111 S112 | Q108-C111 CarbonylContact O-C 3.4Å; Q108-C111 PolarHBondContact O-N 2.99Å; Q108-S112 WeakPolarHBondContact O-CB 3.44Å; Q108-S112 PolarHBondContact O-N 2.9Å |
| 109 | Q | 33.9 | Very low | 32.9 | Very low | 117 Ų | 117 | 121.1 Ų | 121.1 | 55% | 0.547 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -66.5 | -37.2 | 173.7 | -85.4 | -179.3 | -3.7 | 0 | 0 | 111.6 | S105 L106 C111 S112 | S105-Q109 WeakPolarHBondContact O-CB 3.46Å; S105-Q109 WeakPolarHBondContact O-CG 3.1Å; S105-Q109 PolarHBondContact O-N 2.75Å; L106-Q109 PolarHBondContact O-N 3.5Å; Q109-C111 VanDerWaalsContact C-N 3.31Å; Q109-C111 PolarHBondContact O-N 3.04Å; Q109-S112 WeakPolarHBondContact O-CB 3.43Å; Q109-S112 PolarHBondContact O-N 2.84Å; Q109-S112 VanDerWaalsContact O-N 3.16Å; Q109-S112 PolarHBondContact O-OG 2.89Å |
| 110 | I | 34.3 | Very low | 32.9 | Very low | 109 Ų | 109 | 123 Ų | 123 | 56% | 0.559 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -68.6 | -33.6 | 174.6 | -63.3 | 168.1 | 0 | 0 | 0 | 111 | L106 F107 S112 | L106-I110 WeakPolarHBondContact O-CG1 3.33Å; L106-I110 PolarHBondContact O-N 3.09Å; L106-I110 VanDerWaalsContact O-N 3.13Å; F107-I110 PolarHBondContact O-N 3.49Å; I110-S112 VanDerWaalsContact C-N 3.32Å |
| 111 | C | 31.1 | Very low | 33 | Very low | 73 Ų | 73 | 119.1 Ų | 119.1 | 49% | 0.493 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -83.3 | -3.3 | 173.2 | -63.6 | 0 | 0 | 0 | 0 | 114.2 | F107 Q108 Q109 R113 | F107-C111 PolarHBondContact O-N 3.02Å; Q108-C111 CarbonylContact O-C 3.4Å; Q108-C111 PolarHBondContact O-N 2.99Å; Q109-C111 VanDerWaalsContact C-N 3.31Å; Q109-C111 PolarHBondContact O-N 3.04Å; C111-R113 PolarHBondContact O-N 2.82Å |
| 112 | S | 33.5 | Very low | 33.3 | Very low | 57 Ų | 57 | 117.9 Ų | 117.9 | 40% | 0.399 | 62% | 0.62 | S | S | . | * | S | Bend | trans | -71.4 | 126.7 | 178.6 | 72.1 | 0 | 0 | 0 | 0 | 109.1 | Q108 Q109 I110 H114 V115 | Q108-S112 WeakPolarHBondContact O-CB 3.44Å; Q108-S112 PolarHBondContact O-N 2.9Å; Q109-S112 WeakPolarHBondContact O-CB 3.43Å; Q109-S112 PolarHBondContact O-N 2.84Å; Q109-S112 VanDerWaalsContact O-N 3.16Å; Q109-S112 PolarHBondContact O-OG 2.89Å; I110-S112 VanDerWaalsContact C-N 3.32Å; S112-H114 PolarHBondContact O-N 2.75Å; S112-V115 PolarHBondContact O-N 2.84Å; S112-V115 VanDerWaalsContact O-N 3.1Å |
| 113 | R | 37.3 | Very low | 33.3 | Very low | 224 Ų | 224 | 120.8 Ų | 120.8 | 85% | 0.845 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -49.5 | -19.8 | -161.7 | -86.8 | 178.2 | 170 | 178.7 | -2.8 | 116.5 | C111 M116 N117 | C111-R113 PolarHBondContact O-N 2.82Å; R113-M116 PolarHBondContact O-N 3.06Å; R113-N117 PolarHBondContact O-N 2.95Å |
| 114 | H | 34 | Very low | 33.3 | Very low | 158 Ų | 158 | 119.1 Ų | 119.1 | 73% | 0.731 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -70.3 | -28.6 | 179.1 | -94.9 | -43.2 | 0 | 0 | 0 | 114.4 | S112 | S112-H114 PolarHBondContact O-N 2.75Å |
| 115 | V | 33 | Very low | 33.3 | Very low | 81 Ų | 81 | 120.6 Ų | 120.6 | 49% | 0.491 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -72.2 | -33.8 | 176.5 | -174.2 | 0 | 0 | 0 | 0 | 111.1 | S112 N117 N118 | S112-V115 PolarHBondContact O-N 2.84Å; S112-V115 VanDerWaalsContact O-N 3.1Å; V115-N117 PolarHBondContact O-N 2.82Å; V115-N118 PolarHBondContact O-N 3.22Å |
| 116 | M | 31.8 | Very low | 33.3 | Very low | 114 Ų | 114 | 126.7 Ų | 126.7 | 56% | 0.562 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -71.5 | -25.4 | 178.7 | -70.4 | -145 | -173.6 | 0 | 0 | 114.2 | R113 M119 H120 | R113-M116 PolarHBondContact O-N 3.06Å; M116-M119 PolarHBondContact O-N 3.03Å; M116-H120 PolarHBondContact O-ND1 3.24Å |
| 117 | N | 30.9 | Very low | 33.4 | Very low | 107 Ų | 107 | 126.7 Ų | 126.7 | 57% | 0.572 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -73 | -27.8 | 177 | -84.1 | 1.6 | 0 | 0 | 0 | 112.8 | R113 V115 H120 | R113-N117 PolarHBondContact O-N 2.95Å; V115-N117 PolarHBondContact O-N 2.82Å; N117-H120 PolarHBondContact O-N 2.9Å |
| 118 | N | 28.8 | Very low | 33.5 | Very low | 121 Ų | 121 | 128.4 Ų | 128.4 | 65% | 0.647 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -77.9 | -21.3 | 174.5 | -79.6 | -19.4 | 0 | 0 | 0 | 113.3 | V115 H120 S121 | V115-N118 PolarHBondContact O-N 3.22Å; N118-H120 VanDerWaalsContact C-N 3.31Å; N118-H120 PolarHBondContact O-N 3.16Å; N118-S121 PolarHBondContact O-N 2.75Å |
| 119 | M | 31.2 | Very low | 34 | Very low | 111 Ų | 111 | 127.7 Ų | 127.7 | 55% | 0.547 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -69 | -30.2 | 171.8 | -75.5 | -91.2 | -106.7 | 0 | 0 | 112.2 | M116 S121 I122 Y123 | M116-M119 PolarHBondContact O-N 3.03Å; M119-S121 VanDerWaalsContact C-N 3.25Å; M119-S121 PolarHBondContact O-N 2.8Å; M119-I122 PolarHBondContact O-N 2.83Å; M119-Y123 WeakPolarHBondContact O-CD2 3.45Å; M119-Y123 PolarHBondContact O-N 2.79Å |
| 120 | H | 31.6 | Very low | 34.4 | Very low | 140 Ų | 140 | 130.1 Ų | 130.1 | 65% | 0.648 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -70.3 | -21.5 | 176.5 | -73.4 | 76 | 0 | 0 | 0 | 113.1 | M116 N117 N118 | M116-H120 PolarHBondContact O-ND1 3.24Å; N117-H120 PolarHBondContact O-N 2.9Å; N118-H120 VanDerWaalsContact C-N 3.31Å; N118-H120 PolarHBondContact O-N 3.16Å |
| 121 | S | 35.1 | Very low | 34.4 | Very low | 98 Ų | 98 | 128.1 Ų | 128.1 | 69% | 0.685 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -79.3 | -24.9 | 175.1 | -168.4 | 0 | 0 | 0 | 0 | 113.1 | N118 M119 | N118-S121 PolarHBondContact O-N 2.75Å; M119-S121 VanDerWaalsContact C-N 3.25Å; M119-S121 PolarHBondContact O-N 2.8Å |
| 122 | I | 36 | Very low | 34.7 | Very low | 135 Ų | 135 | 129.2 Ų | 129.2 | 69% | 0.692 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -79.7 | -31.6 | 177.2 | -57.8 | 176.6 | 0 | 0 | 0 | 110.1 | M119 G124 | M119-I122 PolarHBondContact O-N 2.83Å; I122-G124 PolarHBondContact O-N 2.89Å; I122-G124 VanDerWaalsContact O-N 3.14Å |
| 123 | Y | 33 | Very low | 34.7 | Very low | 177 Ų | 177 | 134 Ų | 134 | 69% | 0.694 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -90 | 59.1 | 171.2 | -64.2 | -75.7 | 0 | 0 | 0 | 111.3 | M119 N125 | M119-Y123 WeakPolarHBondContact O-CD2 3.45Å; M119-Y123 PolarHBondContact O-N 2.79Å; Y123-N125 PolarHBondContact O-N 3.46Å |
| 124 | G | 33.2 | Very low | 34.4 | Very low | 46 Ų | 46 | 132.2 Ų | 132.2 | 47% | 0.474 | 70% | 0.695 | S | S | . | * | | | trans | -55.2 | 102.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | I122 R126 | I122-G124 PolarHBondContact O-N 2.89Å; I122-G124 VanDerWaalsContact O-N 3.14Å; G124-R126 WeakPolarHBondContact O-CG 3.31Å; G124-R126 PolarHBondContact O-N 3.49Å |
| 125 | N | 33.2 | Very low | 34.3 | Very low | 166 Ų | 166 | 128.7 Ų | 128.7 | 89% | 0.888 | 68% | 0.684 | S | S | * | * | S | Bend | trans | 40.3 | 30.5 | 155.6 | -111.6 | -2.2 | 0 | 0 | 0 | 118.4 | Y123 S127 | Y123-N125 PolarHBondContact O-N 3.46Å; N125-S127 PolarHBondContact O-N 2.86Å |
| 126 | R | 35.5 | Very low | 34.2 | Very low | 204 Ų | 204 | 133.4 Ų | 133.4 | 77% | 0.77 | 69% | 0.694 | S | S | * | * | | | trans | -100.1 | 86.6 | 174.7 | -73.3 | 179.3 | -175.2 | -161.9 | 2.6 | 108 | G124 R128 | G124-R126 WeakPolarHBondContact O-CG 3.31Å; G124-R126 PolarHBondContact O-N 3.49Å; R126-R128 HydrophobicContact CB-CG 4.48Å; R126-R128 PolarHBondContact O-N 2.89Å |
| 127 | S | 36.2 | Very low | 34.2 | Very low | 123 Ų | 123 | 137.2 Ų | 137.2 | 86% | 0.86 | 70% | 0.704 | S | S | * | * | | | trans | -61.7 | 47.6 | 157.9 | 58.9 | 0 | 0 | 0 | 0 | 111.6 | N125 | N125-S127 PolarHBondContact O-N 2.86Š|
| 128 | R | 37.1 | Very low | 34.4 | Very low | 197 Ų | 197 | 140.2 Ų | 140.2 | 74% | 0.743 | 72% | 0.718 | S | S | * | * | | | trans | -94.8 | 117 | 169.8 | -70.7 | -168.2 | 177 | -150 | -1 | 105.7 | R126 L130 | R126-R128 HydrophobicContact CB-CG 4.48Å; R126-R128 PolarHBondContact O-N 2.89Å; R128-L130 PolarHBondContact O-N 3.12Å; R128-L130 VanDerWaalsContact O-N 3.15Å |
| 129 | P | 42.5 | Very low | 34.7 | Very low | 123 Ų | 123 | 140.3 Ų | 140.3 | 80% | 0.799 | 72% | 0.724 | S | S | * | * | | | trans | -52.6 | 126.8 | 175.3 | 21.2 | -30.4 | 0 | 0 | 0 | 107.7 | G131 | P129-G131 PolarHBondContact O-N 3.05Š|
| 130 | L | 43.8 | Very low | 34.8 | Very low | 168 Ų | 168 | 144.4 Ų | 144.4 | 88% | 0.88 | 73% | 0.733 | S | S | * | * | | | trans | -45 | 111.2 | 172.8 | -69.4 | 159.2 | 0 | 0 | 0 | 106.6 | R128 S132 | R128-L130 PolarHBondContact O-N 3.12Å; R128-L130 VanDerWaalsContact O-N 3.15Å; L130-S132 PolarHBondContact O-N 2.97Å |
| 131 | G | 33.1 | Very low | 35.1 | Very low | 68 Ų | 68 | 143.7 Ų | 143.7 | 70% | 0.701 | 74% | 0.741 | S | S | * | * | | | trans | -51.6 | 134.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | P129 L133 | P129-G131 PolarHBondContact O-N 3.05Å; G131-L133 PolarHBondContact O-N 2.87Å |
| 132 | S | 38.7 | Very low | 35.1 | Very low | 96 Ų | 96 | 147.6 Ų | 147.6 | 67% | 0.671 | 75% | 0.748 | S | S | * | * | | | trans | -50.5 | 113.9 | -173.7 | 73.5 | 0 | 0 | 0 | 0 | 108.9 | L130 R134 | L130-S132 PolarHBondContact O-N 2.97Å; S132-R134 VanDerWaalsContact C-N 3.34Å; S132-R134 PolarHBondContact O-N 3.1Å |
| 133 | L | 33.1 | Very low | 35.1 | Very low | 158 Ų | 158 | 146.3 Ų | 146.3 | 83% | 0.827 | 75% | 0.751 | S | S | * | * | | | trans | -64.4 | 99.4 | 176 | -161.9 | 85.7 | 0 | 0 | 0 | 106.4 | G131 V135 | G131-L133 PolarHBondContact O-N 2.87Å; L133-V135 HydrophobicContact CD2-CG2 4.01Å; L133-V135 HydrophobicContact CG-CG2 4.45Å; L133-V135 PolarHBondContact O-N 3.2Å; L133-V135 VanDerWaalsContact O-N 3.09Å |
| 134 | R | 30.1 | Very low | 35 | Very low | 186 Ų | 186 | 142.1 Ų | 142.1 | 70% | 0.702 | 75% | 0.753 | S | S | * | * | | | trans | -76 | 97.9 | 172.7 | -77.8 | -175.7 | -178.1 | 176.5 | 0.2 | 107.1 | S132 Y136 | S132-R134 VanDerWaalsContact C-N 3.34Å; S132-R134 PolarHBondContact O-N 3.1Å; R134-Y136 HydrophobicContact CB-CD2 4.36Å; R134-Y136 HydrophobicContact CB-CE2 3.78Å; R134-Y136 WeakPolarHBondContact O-CD2 3.39Å; R134-Y136 PolarHBondContact O-N 2.94Å |
| 135 | V | 32.2 | Very low | 34.8 | Very low | 83 Ų | 83 | 143.4 Ų | 143.4 | 50% | 0.503 | 76% | 0.759 | S | S | . | * | | | trans | -75.8 | 104.8 | 170.3 | -177.7 | 0 | 0 | 0 | 0 | 106.9 | L133 Y137 | L133-V135 HydrophobicContact CD2-CG2 4.01Å; L133-V135 HydrophobicContact CG-CG2 4.45Å; L133-V135 PolarHBondContact O-N 3.2Å; L133-V135 VanDerWaalsContact O-N 3.09Å; V135-Y137 HydrophobicContact CB-CE2 4.25Å; V135-Y137 HydrophobicContact CG1-CD2 4.23Å; V135-Y137 HydrophobicContact CG1-CE1 4.19Å; V135-Y137 HydrophobicContact CG1-CE2 3.87Å; V135-Y137 PolarHBondContact O-N 2.97Å |
| 136 | Y | 31.1 | Very low | 34.7 | Very low | 181 Ų | 181 | 141.9 Ų | 141.9 | 71% | 0.71 | 76% | 0.756 | S | S | * | * | | | trans | -79.9 | 101.9 | 169.8 | -67.4 | -88.7 | 0 | 0 | 0 | 107.4 | R134 L138 | R134-Y136 HydrophobicContact CB-CD2 4.36Å; R134-Y136 HydrophobicContact CB-CE2 3.78Å; R134-Y136 WeakPolarHBondContact O-CD2 3.39Å; R134-Y136 PolarHBondContact O-N 2.94Å; Y136-L138 PolarHBondContact O-N 2.73Å |
| 137 | Y | 32.7 | Very low | 34.4 | Very low | 194 Ų | 194 | 142.1 Ų | 142.1 | 76% | 0.761 | 76% | 0.763 | S | S | * | * | | | trans | -68.5 | 104.4 | 166.5 | -64.9 | -85.6 | 0 | 0 | 0 | 107.2 | V135 T139 | V135-Y137 HydrophobicContact CB-CE2 4.25Å; V135-Y137 HydrophobicContact CG1-CD2 4.23Å; V135-Y137 HydrophobicContact CG1-CE1 4.19Å; V135-Y137 HydrophobicContact CG1-CE2 3.87Å; V135-Y137 PolarHBondContact O-N 2.97Å; Y137-T139 PolarHBondContact O-N 3.05Å |
| 138 | L | 34.6 | Very low | 34 | Very low | 169 Ų | 169 | 139 Ų | 139 | 89% | 0.885 | 75% | 0.75 | S | S | * | * | | | trans | -67.5 | 86.3 | 164.9 | -81 | 158.1 | 0 | 0 | 0 | 107.1 | Y136 R140 | Y136-L138 PolarHBondContact O-N 2.73Å; L138-R140 PolarHBondContact O-N 3.25Å |
| 139 | T | 34.1 | Very low | 33.6 | Very low | 123 Ų | 123 | 140.8 Ų | 140.8 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | | | trans | -67.5 | 87.9 | 164.6 | 48.8 | 0 | 0 | 0 | 0 | 106.8 | Y137 | Y137-T139 PolarHBondContact O-N 3.05Š|
| 140 | R | 33.1 | Very low | 33 | Very low | 197 Ų | 197 | 140.6 Ų | 140.6 | 74% | 0.743 | 76% | 0.758 | S | S | * | * | | | trans | -52.7 | 132.8 | 159.9 | -103 | -177 | -179.9 | 177 | 1.2 | 106 | L138 H142 | L138-R140 PolarHBondContact O-N 3.25Å; R140-H142 PolarHBondContact O-N 3.24Å |
| 141 | P | 37.9 | Very low | 32.3 | Very low | 125 Ų | 125 | 136.7 Ų | 136.7 | 81% | 0.812 | 75% | 0.751 | S | S | * | * | | | trans | -56.9 | 109.4 | 172.2 | 22.6 | -29.9 | 0 | 0 | 0 | 106.3 | S143 | P141-S143 PolarHBondContact O-N 3.04Š|
| 142 | H | 36.8 | Very low | 32.2 | Very low | 180 Ų | 180 | 137.5 Ų | 137.5 | 83% | 0.833 | 75% | 0.746 | S | S | * | * | | | trans | -58 | 103.6 | 164.6 | -70.5 | -80 | 0 | 0 | 0 | 104.1 | R140 A144 | R140-H142 PolarHBondContact O-N 3.24Å; H142-A144 PolarHBondContact O-N 2.75Å |
| 143 | S | 34.6 | Very low | 31.8 | Very low | 108 Ų | 108 | 141.1 Ų | 141.1 | 76% | 0.755 | 76% | 0.756 | S | S | * | * | | | trans | -44.6 | 118.8 | 160.4 | -174.8 | 0 | 0 | 0 | 0 | 104.2 | P141 A145 | P141-S143 PolarHBondContact O-N 3.04Å; S143-A145 PolarHBondContact O-N 2.85Å |
| 144 | A | 30.8 | Very low | 31.5 | Very low | 89 Ų | 89 | 141.9 Ų | 141.9 | 74% | 0.736 | 76% | 0.756 | S | S | * | * | | | trans | -63.2 | 78.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 105.8 | H142 T146 | H142-A144 PolarHBondContact O-N 2.75Å; A144-T146 PolarHBondContact O-N 2.76Å |
| 145 | A | 30.5 | Very low | 31.4 | Very low | 73 Ų | 73 | 144 Ų | 144 | 60% | 0.603 | 76% | 0.764 | S | S | * | * | | | trans | -62.9 | 92 | 160.9 | 0 | 0 | 0 | 0 | 0 | 102.7 | S143 F147 | S143-A145 PolarHBondContact O-N 2.85Å; A145-F147 VanDerWaalsContact C-N 3.32Å; A145-F147 PolarHBondContact O-N 3.09Å |
| 146 | T | 29.8 | Very low | 31.3 | Very low | 135 Ų | 135 | 144 Ų | 144 | 83% | 0.828 | 77% | 0.773 | S | S | * | * | | | trans | -39.3 | 106.3 | 159.9 | 1.9 | 0 | 0 | 0 | 0 | 105.4 | A144 G148 | A144-T146 PolarHBondContact O-N 2.76Å; T146-G148 PolarHBondContact O-N 2.76Å |
| 147 | F | 30.6 | Very low | 31.5 | Very low | 209 Ų | 209 | 141.2 Ų | 141.2 | 92% | 0.917 | 78% | 0.777 | S | S | * | * | | | trans | -64.3 | 74.8 | 158.1 | -89.7 | -90.9 | 0 | 0 | 0 | 105.6 | A145 R149 | A145-F147 VanDerWaalsContact C-N 3.32Å; A145-F147 PolarHBondContact O-N 3.09Å; F147-R149 PolarHBondContact O-N 2.77Å |
| 148 | G | 26.4 | Very low | 31.4 | Very low | 57 Ų | 57 | 140.8 Ų | 140.8 | 59% | 0.588 | 78% | 0.781 | S | S | * | * | | | trans | -67 | 120.5 | 163.5 | 0 | 0 | 0 | 0 | 0 | 105.6 | T146 | T146-G148 PolarHBondContact O-N 2.76Š|
| 149 | R | 28.4 | Very low | 31.2 | Very low | 234 Ų | 234 | 141.9 Ų | 141.9 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | | | trans | 73 | 92.6 | 168.5 | -52.2 | 178.7 | 177.3 | -161.7 | -2.6 | 113 | F147 A151 | F147-R149 PolarHBondContact O-N 2.77Å; R149-A151 PolarHBondContact O-N 3.01Å |
| 150 | S | 31.5 | Very low | 31.1 | Very low | 119 Ų | 119 | 144 Ų | 144 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | | | trans | -47.3 | 96.5 | 133.9 | 18.9 | 0 | 0 | 0 | 0 | 107.4 | S152 | S150-S152 PolarHBondContact O-N 2.83Š|
| 151 | A | 28.6 | Very low | 31.1 | Very low | 87 Ų | 87 | 142.5 Ų | 142.5 | 72% | 0.719 | 79% | 0.789 | S | S | * | * | | | trans | -62 | 90.6 | 154.2 | 0 | 0 | 0 | 0 | 0 | 104.6 | R149 L153 | R149-A151 PolarHBondContact O-N 3.01Å; A151-L153 VanDerWaalsContact C-N 3.29Å; A151-L153 PolarHBondContact O-N 2.76Å |
| 152 | S | 29.6 | Very low | 30.7 | Very low | 85 Ų | 85 | 143.3 Ų | 143.3 | 59% | 0.594 | 79% | 0.787 | S | S | * | * | | | trans | -53.6 | 109.9 | 154.8 | 57.1 | 0 | 0 | 0 | 0 | 104.3 | S150 Q154 | S150-S152 PolarHBondContact O-N 2.83Å; S152-Q154 PolarHBondContact O-N 2.92Å |
| 153 | L | 30.4 | Very low | 30.5 | Very low | 172 Ų | 172 | 142.2 Ų | 142.2 | 90% | 0.901 | 79% | 0.786 | S | S | * | * | | | trans | -54.9 | 87.8 | 158.2 | -87.4 | 146.5 | 0 | 0 | 0 | 105.3 | A151 R155 | A151-L153 VanDerWaalsContact C-N 3.29Å; A151-L153 PolarHBondContact O-N 2.76Å; L153-R155 PolarHBondContact O-N 2.71Å |
| 154 | Q | 27.8 | Very low | 30.3 | Very low | 173 Ų | 173 | 146.3 Ų | 146.3 | 81% | 0.808 | 79% | 0.79 | S | S | * | * | | | trans | -63.9 | 92.3 | 166.9 | -89.2 | 177.9 | -24.3 | 0 | 0 | 104.4 | S152 A156 | S152-Q154 PolarHBondContact O-N 2.92Å; Q154-A156 PolarHBondContact O-N 3.11Å |
| 155 | R | 28.6 | Very low | 30.4 | Very low | 231 Ų | 231 | 146.7 Ų | 146.7 | 87% | 0.872 | 79% | 0.787 | S | S | * | * | | | trans | -52.4 | 120.4 | 157.3 | -176.5 | 177.5 | -92.9 | 157.5 | -9.6 | 105.1 | L153 P157 | L153-R155 PolarHBondContact O-N 2.71Å; R155-P157 VanDerWaalsContact O-N 3.13Å |
| 156 | A | 30.2 | Very low | 30.2 | Very low | 84 Ų | 84 | 153.4 Ų | 153.4 | 69% | 0.694 | 80% | 0.799 | S | S | * | * | | | trans | -46.4 | 120.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 109 | Q154 Q158 | Q154-A156 PolarHBondContact O-N 3.11Å; A156-Q158 PolarHBondContact O-N 2.76Å |
| 157 | P | 34.1 | Very low | 30.3 | Very low | 122 Ų | 122 | 152.9 Ų | 152.9 | 79% | 0.792 | 80% | 0.795 | S | S | * | * | | | trans | -65 | 110.1 | 176.7 | 22.2 | -26.7 | 0 | 0 | 0 | 107.6 | R155 E159 | R155-P157 VanDerWaalsContact O-N 3.13Å; P157-E159 PolarHBondContact O-N 2.77Å |
| 158 | Q | 30.6 | Very low | 30.1 | Very low | 184 Ų | 184 | 151 Ų | 151 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | | | trans | -52 | 131.7 | 163.8 | -98.8 | 174.2 | -37.7 | 0 | 0 | 108.3 | A156 L160 | A156-Q158 PolarHBondContact O-N 2.76Å; Q158-L160 PolarHBondContact O-N 2.98Å |
| 159 | E | 31.9 | Very low | 30.4 | Very low | 192 Ų | 192 | 154.6 Ų | 154.6 | 90% | 0.897 | 81% | 0.805 | S | S | * | * | | | trans | -47.4 | 94.2 | 175.4 | -63.1 | 174.7 | 148.6 | 0 | 0 | 111.1 | P157 | P157-E159 PolarHBondContact O-N 2.77Š|
| 160 | L | 32 | Very low | 30.5 | Very low | 167 Ų | 167 | 148.7 Ų | 148.7 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | | | trans | -111 | 99.3 | 158.9 | -99.3 | 154.1 | 0 | 0 | 0 | 106.4 | Q158 | Q158-L160 PolarHBondContact O-N 2.98Š|
| 161 | Q | 31.4 | Very low | 30.4 | Very low | 166 Ų | 166 | 148 Ų | 148 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | | | trans | -48.2 | 147.5 | 170.5 | -65.9 | 179.5 | -13.2 | 0 | 0 | 111.3 | | |
| 162 | N | 30.3 | Very low | 30.6 | Very low | 143 Ų | 143 | 150.2 Ų | 150.2 | 77% | 0.765 | 80% | 0.802 | S | S | * | * | | | trans | 65.3 | 101.3 | 162.4 | -69.7 | -32.9 | 0 | 0 | 0 | 116.6 | | |
| 163 | I | 32.1 | Very low | 30.6 | Very low | 157 Ų | 157 | 154 Ų | 154 | 81% | 0.805 | 81% | 0.814 | S | S | * | * | | | | -164.2 | 115.4 | 113 | -83.1 | 137.5 | 0 | 0 | 0 | 108 | S165 | I163-S165 PolarHBondContact O-N 2.86Š|
| 164 | K | 30.8 | Very low | 30.7 | Very low | 193 Ų | 193 | 151.1 Ų | 151.1 | 84% | 0.839 | 81% | 0.808 | S | S | * | * | | | trans | -61 | 117.8 | 161.6 | -102.9 | 169.8 | 171.8 | 171.4 | 0 | 108.7 | | |
| 165 | S | 32.5 | Very low | 30.7 | Very low | 98 Ų | 98 | 149.6 Ų | 149.6 | 69% | 0.685 | 81% | 0.811 | S | S | * | * | | | trans | -156.2 | 108.8 | 148.4 | 44.7 | 0 | 0 | 0 | 0 | 110.5 | I163 | I163-S165 PolarHBondContact O-N 2.86Š|
| 166 | Y | 26.7 | Very low | 30.7 | Very low | 214 Ų | 214 | 150 Ų | 150 | 84% | 0.839 | 81% | 0.813 | S | S | * | * | | | trans | -69.6 | 121.9 | 171.2 | -77.4 | -102.1 | 0 | 0 | 0 | 109.2 | | |
| 167 | T | 31.7 | Very low | 30.7 | Very low | 123 Ų | 123 | 157.2 Ų | 157.2 | 76% | 0.755 | 82% | 0.822 | S | S | * | * | | | trans | -131.8 | 109 | 157.1 | 40.7 | 0 | 0 | 0 | 0 | 109.5 | V169 | T167-V169 PolarHBondContact O-N 3.5Š|
| 168 | N | 27.5 | Very low | 30.5 | Very low | 170 Ų | 170 | 159.6 Ų | 159.6 | 91% | 0.909 | 83% | 0.827 | S | S | * | * | | | trans | -59.6 | 117.9 | 166.8 | -84.9 | -36.9 | 0 | 0 | 0 | 108.8 | | |
| 169 | V | 31.5 | Very low | 30.6 | Very low | 133 Ų | 133 | 157 Ų | 157 | 81% | 0.806 | 82% | 0.824 | S | S | * | * | | | trans | -118.4 | 114.6 | 163.6 | -167.5 | 0 | 0 | 0 | 0 | 108.2 | T167 | T167-V169 PolarHBondContact O-N 3.5Š|
| 170 | S | 30.5 | Very low | 30.4 | Very low | 110 Ų | 110 | 153.1 Ų | 153.1 | 77% | 0.769 | 82% | 0.818 | S | S | * | * | | | trans | -62.9 | 149.9 | -174.4 | 31.5 | 0 | 0 | 0 | 0 | 113.9 | | |
| 171 | S | 29.7 | Very low | 30.2 | Very low | 103 Ų | 103 | 152.2 Ų | 152.2 | 72% | 0.72 | 81% | 0.813 | S | S | * | * | | | trans | -58.1 | 133.2 | -179.1 | -47.6 | 0 | 0 | 0 | 0 | 113.5 | L173 | S171-L173 PolarHBondContact O-N 3.24Å; S171-L173 VanDerWaalsContact O-N 3.13Å |
| 172 | P | 33.7 | Very low | 30.2 | Very low | 135 Ų | 135 | 151.2 Ų | 151.2 | 88% | 0.877 | 81% | 0.812 | S | S | * | * | | | trans | -77 | 100 | 172 | 28.8 | -30.5 | 0 | 0 | 0 | 110.7 | | |
| 173 | L | 29.4 | Very low | 30.1 | Very low | 164 Ų | 164 | 151.3 Ų | 151.3 | 86% | 0.859 | 81% | 0.812 | S | S | * | * | | | trans | -74.8 | 126.8 | 156.4 | -85.9 | 90.4 | 0 | 0 | 0 | 109.4 | S171 | S171-L173 PolarHBondContact O-N 3.24Å; S171-L173 VanDerWaalsContact O-N 3.13Å |
| 174 | S | 31.8 | Very low | 30 | Very low | 111 Ų | 111 | 149.8 Ų | 149.8 | 78% | 0.776 | 81% | 0.814 | S | S | * | * | | | trans | 150.6 | 114 | 132.2 | -171.4 | 0 | 0 | 0 | 0 | 111.6 | R176 | S174-R176 PolarHBondContact O-N 2.9Š|
| 175 | T | 27.9 | Very low | 29.9 | Very low | 141 Ų | 141 | 149.9 Ų | 149.9 | 87% | 0.865 | 82% | 0.815 | S | S | * | * | | | trans | -67.1 | 96.1 | 177.7 | 33 | 0 | 0 | 0 | 0 | 111.6 | R177 | T175-R177 PolarHBondContact O-N 3.01Š|
| 176 | R | 29.5 | Very low | 29.7 | Very low | 240 Ų | 240 | 149.7 Ų | 149.7 | 91% | 0.906 | 81% | 0.814 | S | S | * | * | | | trans | -84.5 | 106.5 | 174.1 | -160.1 | 172.8 | -178.1 | 179.9 | -0.1 | 110.5 | S174 L178 | S174-R176 PolarHBondContact O-N 2.9Å; R176-L178 PolarHBondContact O-N 3.41Å |
| 177 | R | 29.7 | Very low | 29.8 | Very low | 235 Ų | 235 | 148.3 Ų | 148.3 | 89% | 0.887 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -48.5 | 125.8 | 173.8 | -80.1 | 173.4 | 148.7 | 146.7 | -6.5 | 112.4 | T175 | T175-R177 PolarHBondContact O-N 3.01Š|
| 178 | L | 30.5 | Very low | 29.7 | Very low | 173 Ų | 173 | 150 Ų | 150 | 91% | 0.906 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -68 | 125.9 | 172.5 | -65.7 | 165.8 | 0 | 0 | 0 | 109.7 | R176 | R176-L178 PolarHBondContact O-N 3.41Š|
| 179 | T | 31.1 | Very low | 29.9 | Very low | 130 Ų | 130 | 147.5 Ų | 147.5 | 80% | 0.798 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -95.9 | 131 | 175.8 | 39.7 | 0 | 0 | 0 | 0 | 109.3 | I181 | T179-I181 PolarHBondContact O-N 3.38Š|
| 180 | S | 28.7 | Very low | 29.6 | Very low | 109 Ų | 109 | 146.5 Ų | 146.5 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 121.5 | 178.5 | 52.9 | 0 | 0 | 0 | 0 | 110.5 | D182 | S180-D182 PolarHBondContact O-N 3.15Š|
| 181 | I | 27.9 | Very low | 29.5 | Very low | 149 Ų | 149 | 149.6 Ų | 149.6 | 76% | 0.764 | 80% | 0.797 | S | S | * | * | | | trans | -84.2 | 107.4 | 174.6 | -63.7 | 168.3 | 0 | 0 | 0 | 107.5 | T179 L183 | T179-I181 PolarHBondContact O-N 3.38Å; I181-L183 PolarHBondContact O-N 2.81Å |
| 182 | D | 30.2 | Very low | 29.4 | Very low | 144 Ų | 144 | 149.8 Ų | 149.8 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | | | trans | -71 | 107.7 | 169.6 | -79.7 | -33.9 | 0 | 0 | 0 | 109.5 | S180 C184 | S180-D182 PolarHBondContact O-N 3.15Å; D182-C184 PolarHBondContact O-N 2.91Å |
| 183 | L | 28.9 | Very low | 29 | Very low | 146 Ų | 146 | 149.2 Ų | 149.2 | 76% | 0.764 | 79% | 0.792 | S | S | * | * | | | trans | -72.1 | 92.8 | 173.6 | -78 | 155.9 | 0 | 0 | 0 | 109.6 | I181 F185 | I181-L183 PolarHBondContact O-N 2.81Å; L183-F185 PolarHBondContact O-N 2.8Å |
| 184 | C | 29.9 | Very low | 28.9 | Very low | 124 Ų | 124 | 149.6 Ų | 149.6 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | | | trans | -68.9 | 106.7 | 168 | -79.3 | 0 | 0 | 0 | 0 | 110.2 | D182 S186 | D182-C184 PolarHBondContact O-N 2.91Å; C184-S186 PolarHBondContact O-N 2.82Å; C184-S186 VanDerWaalsContact O-N 3.16Å |
| 185 | F | 29.3 | Very low | 28.9 | Very low | 196 Ų | 196 | 152.5 Ų | 152.5 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | | | trans | -66.7 | 107.9 | 167.9 | -70.5 | -84.1 | 0 | 0 | 0 | 109.6 | L183 K187 | L183-F185 PolarHBondContact O-N 2.8Å; F185-K187 PolarHBondContact O-N 2.89Å |
| 186 | S | 28 | Very low | 29 | Very low | 94 Ų | 94 | 151.3 Ų | 151.3 | 66% | 0.657 | 80% | 0.795 | S | S | * | * | | | trans | -66.4 | 117.4 | 171.1 | 65.9 | 0 | 0 | 0 | 0 | 109.2 | C184 E188 | C184-S186 PolarHBondContact O-N 2.82Å; C184-S186 VanDerWaalsContact O-N 3.16Å; S186-E188 PolarHBondContact O-N 2.88Å |
| 187 | K | 27.9 | Very low | 28.8 | Very low | 185 Ų | 185 | 143.6 Ų | 143.6 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | | | trans | -82.9 | 66.6 | 179.1 | -158.6 | 175.4 | -173.4 | 176.5 | 0 | 108.7 | F185 N189 | F185-K187 PolarHBondContact O-N 2.89Å; K187-N189 VanDerWaalsContact C-N 3.29Å; K187-N189 PolarHBondContact O-N 3.22Å |
| 188 | E | 30.8 | Very low | 28.8 | Very low | 159 Ų | 159 | 138.9 Ų | 138.9 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | | | trans | -78.4 | 83.1 | 174.9 | -73.4 | -179.4 | -167.6 | 0 | 0 | 109.9 | S186 S190 | S186-E188 PolarHBondContact O-N 2.88Å; E188-S190 VanDerWaalsContact C-N 3.34Å; E188-S190 PolarHBondContact O-N 3.38Å |
| 189 | N | 30.2 | Very low | 28.6 | Very low | 117 Ų | 117 | 136.7 Ų | 136.7 | 63% | 0.626 | 78% | 0.782 | S | S | * | * | | | trans | -66 | 91.1 | 166 | -98 | 3.4 | 0 | 0 | 0 | 109.3 | K187 F191 | K187-N189 VanDerWaalsContact C-N 3.29Å; K187-N189 PolarHBondContact O-N 3.22Å; N189-F191 VanDerWaalsContact C-N 3.3Å; N189-F191 HydrophobicContact CB-CD2 4.04Å; N189-F191 HydrophobicContact CB-CE2 4.26Å; N189-F191 PolarHBondContact O-N 3.33Å |
| 190 | S | 26.3 | Very low | 28.4 | Very low | 112 Ų | 112 | 135.8 Ų | 135.8 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | | | trans | -77.6 | 79 | 166.2 | -67.6 | 0 | 0 | 0 | 0 | 109.9 | E188 S192 | E188-S190 VanDerWaalsContact C-N 3.34Å; E188-S190 PolarHBondContact O-N 3.38Å; S190-S192 PolarHBondContact O-N 2.78Å |
| 191 | F | 28 | Very low | 28.3 | Very low | 174 Ų | 174 | 136.2 Ų | 136.2 | 76% | 0.763 | 78% | 0.784 | S | S | * | * | | | trans | -84.1 | 92.5 | 164.7 | -81.7 | -76.9 | 0 | 0 | 0 | 108.9 | N189 T193 | N189-F191 VanDerWaalsContact C-N 3.3Å; N189-F191 HydrophobicContact CB-CD2 4.04Å; N189-F191 HydrophobicContact CB-CE2 4.26Å; N189-F191 PolarHBondContact O-N 3.33Å; F191-T193 PolarHBondContact O-N 2.62Å |
| 192 | S | 27 | Very low | 28.3 | Very low | 107 Ų | 107 | 134.8 Ų | 134.8 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | | | trans | -71.1 | 92.9 | 165.9 | 60.8 | 0 | 0 | 0 | 0 | 109.8 | S190 | S190-S192 PolarHBondContact O-N 2.78Š|
| 193 | T | 25.3 | Very low | 28.3 | Very low | 124 Ų | 124 | 136 Ų | 136 | 76% | 0.761 | 79% | 0.792 | S | S | * | * | | | trans | 17.6 | 101.8 | 135.1 | 44.4 | 0 | 0 | 0 | 0 | 117.9 | F191 | F191-T193 PolarHBondContact O-N 2.62Š|
| 194 | L | 29 | Very low | 28.4 | Very low | 172 Ų | 172 | 138 Ų | 138 | 90% | 0.901 | 80% | 0.795 | S | S | * | * | | | trans | -148.2 | 72.9 | 148.4 | -76.7 | 179.2 | 0 | 0 | 0 | 109.1 | | |
| 195 | L | 31.4 | Very low | 28.3 | Very low | 171 Ų | 171 | 143 Ų | 143 | 90% | 0.895 | 80% | 0.796 | S | S | * | * | | | trans | -104 | 125.2 | 160.8 | -85.2 | 167.1 | 0 | 0 | 0 | 108.7 | G197 | L195-G197 PolarHBondContact O-N 2.78Š|
| 196 | P | 30 | Very low | 28.3 | Very low | 116 Ų | 116 | 138.2 Ų | 138.2 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | | | trans | -65.4 | 127.4 | 179.1 | -16.5 | 29.2 | 0 | 0 | 0 | 110.7 | T198 | P196-T198 PolarHBondContact O-N 2.66Š|
| 197 | G | 24.6 | Very low | 28.3 | Very low | 78 Ų | 78 | 141.5 Ų | 141.5 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | | | trans | -62.5 | 118.1 | 170 | 0 | 0 | 0 | 0 | 0 | 110.8 | L195 | L195-G197 PolarHBondContact O-N 2.78Š|
| 198 | T | 29.5 | Very low | 28.5 | Very low | 136 Ų | 136 | 137.7 Ų | 137.7 | 83% | 0.834 | 79% | 0.794 | S | S | * | * | | | trans | -113.7 | 118.2 | 153 | 52.4 | 0 | 0 | 0 | 0 | 107.7 | P196 | P196-T198 PolarHBondContact O-N 2.66Š|
| 199 | T | 27 | Very low | 28.6 | Very low | 128 Ų | 128 | 137 Ų | 137 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | | | trans | -60.3 | 151.7 | -177.8 | 43.9 | 0 | 0 | 0 | 0 | 113.3 | | |
| 200 | S | 25.9 | Very low | 28.8 | Very low | 111 Ų | 111 | 137.7 Ų | 137.7 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | | | trans | 62.8 | 87.9 | 147.2 | 65.2 | 0 | 0 | 0 | 0 | 118.5 | | |
| 201 | S | 28.3 | Very low | 29.4 | Very low | 118 Ų | 118 | 137.7 Ų | 137.7 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | | | | -146.4 | 125 | 123.8 | 59.3 | 0 | 0 | 0 | 0 | 109.5 | L203 | S201-L203 PolarHBondContact O-N 2.84Š|
| 202 | S | 26.4 | Very low | 30 | Very low | 119 Ų | 119 | 132.9 Ų | 132.9 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | | | trans | -70.6 | 105.2 | 175.2 | 48.6 | 0 | 0 | 0 | 0 | 109.7 | | |
| 203 | L | 31.6 | Very low | 30.3 | Very low | 169 Ų | 169 | 131.4 Ų | 131.4 | 89% | 0.885 | 79% | 0.786 | S | S | * | * | | | trans | -134.9 | 117.2 | 161.4 | -136.5 | 76.8 | 0 | 0 | 0 | 110.2 | S201 | S201-L203 PolarHBondContact O-N 2.84Š|
| 204 | K | 30.2 | Very low | 30.9 | Very low | 189 Ų | 189 | 134.2 Ų | 134.2 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | | | trans | -68.2 | 144.6 | 179 | -76.2 | 178.5 | 174.5 | 175.7 | 0 | 111 | | |
| 205 | R | 28.8 | Very low | 31.2 | Very low | 227 Ų | 227 | 133.7 Ų | 133.7 | 86% | 0.857 | 78% | 0.784 | S | S | * | * | | | trans | 77.8 | 118.2 | 145.4 | -75 | 175.9 | 172.3 | 175.1 | -3.9 | 119.7 | | |
| 206 | S | 28.1 | Very low | 31.2 | Very low | 97 Ų | 97 | 130.9 Ų | 130.9 | 68% | 0.678 | 78% | 0.778 | S | S | * | * | | | trans | 60.9 | 83.1 | 137.9 | 63.8 | 0 | 0 | 0 | 0 | 118.6 | | |
| 207 | N | 28.4 | Very low | 31.6 | Very low | 162 Ų | 162 | 134.5 Ų | 134.5 | 87% | 0.866 | 78% | 0.784 | S | S | * | * | | | trans | -94.8 | 79.5 | 142.7 | -74.9 | -16.5 | 0 | 0 | 0 | 107.8 | I209 | N207-I209 PolarHBondContact O-N 2.67Š|
| 208 | S | 30.9 | Very low | 32.1 | Very low | 105 Ų | 105 | 138.5 Ų | 138.5 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | | | trans | -65.4 | 106.8 | 156.2 | 49.3 | 0 | 0 | 0 | 0 | 106.3 | D210 | S208-D210 PolarHBondContact O-N 2.71Å; S208-D210 VanDerWaalsContact O-N 3.11Å |
| 209 | I | 34.7 | Very low | 32.3 | Very low | 146 Ų | 146 | 140 Ų | 140 | 75% | 0.749 | 78% | 0.784 | S | S | * | * | | | trans | -67.3 | 109.3 | 169.7 | -68.9 | 165.1 | 0 | 0 | 0 | 105.7 | N207 C211 | N207-I209 PolarHBondContact O-N 2.67Å; I209-C211 PolarHBondContact O-N 3.12Å |
| 210 | D | 33.5 | Very low | 32.8 | Very low | 130 Ų | 130 | 142.3 Ų | 142.3 | 70% | 0.695 | 79% | 0.786 | S | S | * | * | | | trans | -63.9 | 98.1 | 173.5 | -172.8 | -0.4 | 0 | 0 | 0 | 108.4 | S208 S212 | S208-D210 PolarHBondContact O-N 2.71Å; S208-D210 VanDerWaalsContact O-N 3.11Å; D210-S212 PolarHBondContact O-N 3.14Å; D210-S212 PolarHBondContact OD1-N 2.86Å |
| 211 | C | 39.8 | Very low | 33.2 | Very low | 113 Ų | 113 | 147.9 Ų | 147.9 | 76% | 0.764 | 79% | 0.79 | S | S | * | * | | | trans | -73.2 | 43.6 | 171.8 | -65.3 | 0 | 0 | 0 | 0 | 111 | I209 G213 | I209-C211 PolarHBondContact O-N 3.12Å; C211-G213 PolarHBondContact O-N 3.32Å |
| 212 | S | 40.3 | Very low | 33.5 | Very low | 73 Ų | 73 | 147.3 Ų | 147.3 | 51% | 0.51 | 79% | 0.786 | S | S | . | * | | | trans | -54.5 | 114 | 163.9 | 68.2 | 0 | 0 | 0 | 0 | 106.5 | D210 K214 | D210-S212 PolarHBondContact O-N 3.14Å; D210-S212 PolarHBondContact OD1-N 2.86Å; S212-K214 PolarHBondContact O-N 3.03Å |
| 213 | G | 33.2 | Very low | 33.8 | Very low | 76 Ų | 76 | 147.2 Ų | 147.2 | 78% | 0.784 | 79% | 0.785 | S | S | * | * | | | trans | -68.5 | 48.9 | -164.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | C211 I215 | C211-G213 PolarHBondContact O-N 3.32Å; G213-I215 VanDerWaalsContact C-N 3.28Å; G213-I215 PolarHBondContact O-N 2.96Å; G213-I215 VanDerWaalsContact O-N 3.09Å |
| 214 | K | 36.6 | Very low | 33.9 | Very low | 182 Ų | 182 | 144.4 Ų | 144.4 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | | | trans | -81.1 | 84.1 | 166.7 | -66.1 | -167.3 | 179.5 | -176.2 | 0 | 107.8 | S212 C216 | S212-K214 PolarHBondContact O-N 3.03Å; K214-C216 PolarHBondContact O-N 2.89Å |
| 215 | I | 36 | Very low | 34.1 | Very low | 161 Ų | 161 | 141.6 Ų | 141.6 | 83% | 0.826 | 78% | 0.776 | S | S | * | * | | | trans | -52.2 | 110.9 | 157.2 | -68.1 | 165.1 | 0 | 0 | 0 | 105.6 | G213 Q217 | G213-I215 VanDerWaalsContact C-N 3.28Å; G213-I215 PolarHBondContact O-N 2.96Å; G213-I215 VanDerWaalsContact O-N 3.09Å; I215-Q217 PolarHBondContact O-N 3.04Å |
| 216 | C | 32.3 | Very low | 34.4 | Very low | 113 Ų | 113 | 135.2 Ų | 135.2 | 76% | 0.764 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 116.7 | 171.8 | -64.4 | 0 | 0 | 0 | 0 | 107.1 | K214 L218 | K214-C216 PolarHBondContact O-N 2.89Å; C216-L218 PolarHBondContact O-N 3Å |
| 217 | Q | 37.3 | Very low | 34.6 | Very low | 191 Ų | 191 | 139 Ų | 139 | 89% | 0.893 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 118.5 | 169.3 | -118.6 | 168.2 | -10.3 | 0 | 0 | 107.2 | I215 H219 | I215-Q217 PolarHBondContact O-N 3.04Å; Q217-H219 PolarHBondContact O-N 2.78Å; Q217-H219 VanDerWaalsContact O-N 3.15Å |
| 218 | L | 36.5 | Very low | 34.6 | Very low | 163 Ų | 163 | 140.9 Ų | 140.9 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 122.8 | 174.2 | -79 | 163.1 | 0 | 0 | 0 | 107 | C216 E220 | C216-L218 PolarHBondContact O-N 3Å; L218-E220 VanDerWaalsContact C-N 3.29Å; L218-E220 PolarHBondContact O-N 2.81Å |
| 219 | H | 33.1 | Very low | 34.6 | Very low | 166 Ų | 166 | 144 Ų | 144 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | | | trans | -63.9 | 93.6 | 177.8 | -170.8 | 86.1 | 0 | 0 | 0 | 107.9 | Q217 R221 | Q217-H219 PolarHBondContact O-N 2.78Å; Q217-H219 VanDerWaalsContact O-N 3.15Å; H219-R221 PolarHBondContact O-N 3.45Å |
| 220 | E | 36.4 | Very low | 34.5 | Very low | 178 Ų | 178 | 144.1 Ų | 144.1 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | | | trans | -59.9 | 106.4 | 167.4 | -74.4 | -174.7 | 170.8 | 0 | 0 | 106.8 | L218 S222 | L218-E220 VanDerWaalsContact C-N 3.29Å; L218-E220 PolarHBondContact O-N 2.81Å; E220-S222 PolarHBondContact O-N 2.87Å |
| 221 | R | 34.2 | Very low | 34.5 | Very low | 227 Ų | 227 | 143.2 Ų | 143.2 | 86% | 0.857 | 78% | 0.778 | S | S | * | * | | | trans | -72.1 | 86.9 | 173.6 | -66.7 | 176.7 | 115.4 | 165.6 | 2.1 | 106.7 | H219 S223 | H219-R221 PolarHBondContact O-N 3.45Å; R221-S223 PolarHBondContact O-N 3.43Å; R221-S223 VanDerWaalsContact O-N 3.13Å |
| 222 | S | 35 | Very low | 34.2 | Very low | 107 Ų | 107 | 142.8 Ų | 142.8 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | | | trans | -57.6 | 116.2 | 169.2 | 47.8 | 0 | 0 | 0 | 0 | 108.7 | E220 T224 | E220-S222 PolarHBondContact O-N 2.87Å; S222-T224 VanDerWaalsContact C-N 3.31Å; S222-T224 PolarHBondContact O-N 3.45Å; S222-T224 VanDerWaalsContact O-N 3.14Å |
| 223 | S | 33.1 | Very low | 33.9 | Very low | 117 Ų | 117 | 148.1 Ų | 148.1 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | trans | -82.2 | 74 | 177.5 | 52.4 | 0 | 0 | 0 | 0 | 109.7 | R221 | R221-S223 PolarHBondContact O-N 3.43Å; R221-S223 VanDerWaalsContact O-N 3.13Å |
| 224 | T | 33.5 | Very low | 33.9 | Very low | 110 Ų | 110 | 153.7 Ų | 153.7 | 68% | 0.675 | 79% | 0.793 | S | S | * | * | | | trans | -155.8 | 123.2 | 155.4 | 33.9 | 0 | 0 | 0 | 0 | 109.3 | S222 S226 | S222-T224 VanDerWaalsContact C-N 3.31Å; S222-T224 PolarHBondContact O-N 3.45Å; S222-T224 VanDerWaalsContact O-N 3.14Å; T224-S226 PolarHBondContact O-N 3.44Å |
| 225 | P | 34.4 | Very low | 33.7 | Very low | 130 Ų | 130 | 153.9 Ų | 153.9 | 84% | 0.844 | 80% | 0.799 | S | S | * | * | | | trans | -69.3 | 98.1 | 169.3 | 28.3 | -29.1 | 0 | 0 | 0 | 107.5 | L227 | P225-L227 PolarHBondContact O-N 2.81Å; P225-L227 VanDerWaalsContact O-N 3.16Å |
| 226 | S | 34.9 | Very low | 33.6 | Very low | 92 Ų | 92 | 153.2 Ų | 153.2 | 64% | 0.643 | 80% | 0.797 | S | S | * | * | | | trans | -68.2 | 112.4 | 165.1 | 48.1 | 0 | 0 | 0 | 0 | 107.3 | T224 Y228 | T224-S226 PolarHBondContact O-N 3.44Å; S226-Y228 PolarHBondContact O-N 3.16Å |
| 227 | L | 32.2 | Very low | 33.6 | Very low | 176 Ų | 176 | 154.4 Ų | 154.4 | 92% | 0.921 | 80% | 0.796 | S | S | * | * | | | trans | -59.6 | 91.4 | 164.9 | -77.7 | 159.3 | 0 | 0 | 0 | 107.1 | P225 E229 | P225-L227 PolarHBondContact O-N 2.81Å; P225-L227 VanDerWaalsContact O-N 3.16Å; L227-E229 VanDerWaalsContact C-N 3.34Å; L227-E229 PolarHBondContact O-N 3.47Å |
| 228 | Y | 28.7 | Very low | 33.5 | Very low | 202 Ų | 202 | 149.8 Ų | 149.8 | 79% | 0.792 | 78% | 0.782 | S | S | * | * | | | trans | -76.5 | 94 | 173 | -130.2 | -97 | 0 | 0 | 0 | 107.3 | S226 N230 | S226-Y228 PolarHBondContact O-N 3.16Å; Y228-N230 PolarHBondContact O-N 3.27Å |
| 229 | E | 31.5 | Very low | 33.4 | Very low | 171 Ų | 171 | 148.8 Ų | 148.8 | 80% | 0.799 | 78% | 0.777 | S | S | * | * | | | trans | -61.7 | 112.6 | 168.6 | -165.4 | 169.4 | -170.9 | 0 | 0 | 108 | L227 V231 | L227-E229 VanDerWaalsContact C-N 3.34Å; L227-E229 PolarHBondContact O-N 3.47Å; E229-V231 VanDerWaalsContact C-N 3.32Å; E229-V231 PolarHBondContact O-N 3.18Å |
| 230 | N | 32 | Very low | 33.4 | Very low | 149 Ų | 149 | 148.1 Ų | 148.1 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | | | trans | -64.5 | 85.5 | -178.3 | -81 | -43.2 | 0 | 0 | 0 | 110.8 | Y228 S232 | Y228-N230 PolarHBondContact O-N 3.27Å; N230-S232 VanDerWaalsContact C-N 3.28Å; N230-S232 PolarHBondContact O-N 3.41Å; N230-S232 VanDerWaalsContact O-N 3.14Å |
| 231 | V | 34 | Very low | 33.2 | Very low | 110 Ų | 110 | 145.9 Ų | 145.9 | 67% | 0.667 | 78% | 0.781 | S | S | * | * | | | trans | -86.3 | 77.8 | 164.4 | -171.1 | 0 | 0 | 0 | 0 | 108.3 | E229 K233 | E229-V231 VanDerWaalsContact C-N 3.32Å; E229-V231 PolarHBondContact O-N 3.18Å; V231-K233 VanDerWaalsContact C-N 3.33Å; V231-K233 HydrophobicContact CG1-CG 4.27Å; V231-K233 PolarHBondContact O-N 3.1Å |
| 232 | S | 32 | Very low | 32.9 | Very low | 104 Ų | 104 | 141.5 Ų | 141.5 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | | | trans | -71.9 | 84.6 | 171.6 | 65.7 | 0 | 0 | 0 | 0 | 110.2 | N230 K234 | N230-S232 VanDerWaalsContact C-N 3.28Å; N230-S232 PolarHBondContact O-N 3.41Å; N230-S232 VanDerWaalsContact O-N 3.14Å; S232-K234 PolarHBondContact O-N 3.46Å |
| 233 | K | 34.5 | Very low | 32.6 | Very low | 185 Ų | 185 | 145.9 Ų | 145.9 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | | | trans | -83 | 100.9 | 162.8 | -78.5 | -177.8 | -179.4 | 179.2 | 0 | 108.6 | V231 M235 | V231-K233 VanDerWaalsContact C-N 3.33Å; V231-K233 HydrophobicContact CG1-CG 4.27Å; V231-K233 PolarHBondContact O-N 3.1Å; K233-M235 PolarHBondContact O-N 3.13Å; K233-M235 VanDerWaalsContact O-N 3.11Å |
| 234 | K | 34 | Very low | 32.5 | Very low | 194 Ų | 194 | 150 Ų | 150 | 84% | 0.843 | 77% | 0.772 | S | S | * | * | | | trans | -48.2 | 110.2 | 168.2 | -67.8 | 174.3 | 177.4 | 175.6 | 0 | 109.4 | S232 | S232-K234 PolarHBondContact O-N 3.46Š|
| 235 | M | 31.6 | Very low | 32.4 | Very low | 185 Ų | 185 | 156.8 Ų | 156.8 | 91% | 0.911 | 79% | 0.786 | S | S | * | * | | | trans | -108.7 | 98.2 | 166.5 | -150 | 163.1 | 161 | 0 | 0 | 106.9 | K233 N237 | K233-M235 PolarHBondContact O-N 3.13Å; K233-M235 VanDerWaalsContact O-N 3.11Å; M235-N237 PolarHBondContact O-N 3.43Å |
| 236 | L | 33.7 | Very low | 32.2 | Very low | 147 Ų | 147 | 155.6 Ų | 155.6 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | | | trans | -54 | 122.4 | 168.9 | -83.7 | 101.2 | 0 | 0 | 0 | 108.3 | | |
| 237 | N | 33.5 | Very low | 32.1 | Very low | 139 Ų | 139 | 156.2 Ų | 156.2 | 74% | 0.743 | 79% | 0.791 | S | S | * | * | | | trans | -124 | 92.6 | 157.5 | -140.8 | -20.9 | 0 | 0 | 0 | 108.3 | M235 N239 | M235-N237 PolarHBondContact O-N 3.43Å; N237-N239 PolarHBondContact O-N 2.77Å; N237-N239 PolarHBondContact OD1-ND2 3.12Å |
| 238 | P | 35.4 | Very low | 32.1 | Very low | 94 Ų | 94 | 153.8 Ų | 153.8 | 61% | 0.61 | 78% | 0.783 | S | S | * | * | | | trans | -87.4 | 85.7 | 178.2 | 33.4 | -27.4 | 0 | 0 | 0 | 108.7 | | |
| 239 | N | 34.2 | Very low | 32.3 | Very low | 141 Ų | 141 | 153.6 Ų | 153.6 | 75% | 0.754 | 79% | 0.786 | S | S | * | * | | | trans | -115.9 | 88.2 | 167 | -82.3 | -46.7 | 0 | 0 | 0 | 110.2 | N237 C241 | N237-N239 PolarHBondContact O-N 2.77Å; N237-N239 PolarHBondContact OD1-ND2 3.12Å; N239-C241 PolarHBondContact O-N 2.99Å |
| 240 | L | 32.7 | Very low | 32.4 | Very low | 153 Ų | 153 | 150.1 Ų | 150.1 | 80% | 0.801 | 79% | 0.787 | S | S | * | * | | | trans | -57.4 | 88.1 | 163.2 | -79.8 | 141.8 | 0 | 0 | 0 | 110.3 | N242 | L240-N242 PolarHBondContact O-N 2.77Š|
| 241 | C | 31.5 | Very low | 32.4 | Very low | 130 Ų | 130 | 154.7 Ų | 154.7 | 88% | 0.878 | 79% | 0.793 | S | S | * | * | | | trans | -95.7 | 86.3 | 160.1 | -147.4 | 0 | 0 | 0 | 0 | 109.1 | N239 | N239-C241 PolarHBondContact O-N 2.99Š|
| 242 | N | 28.9 | Very low | 32.2 | Very low | 135 Ų | 135 | 155.1 Ų | 155.1 | 72% | 0.722 | 80% | 0.801 | S | S | * | * | | | trans | -64.3 | 147.5 | 164.5 | -86.6 | -41 | 0 | 0 | 0 | 110.3 | L240 | L240-N242 PolarHBondContact O-N 2.77Š|
| 243 | R | 28.6 | Very low | 32.1 | Very low | 200 Ų | 200 | 155.1 Ų | 155.1 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | | | trans | 125.9 | 102.7 | 134.3 | -156.6 | 173.3 | -165 | 179.6 | 2.2 | 116.2 | | |
| 244 | R | 30.3 | Very low | 31.9 | Very low | 202 Ų | 202 | 154 Ų | 154 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | | | trans | 60.5 | 114.8 | 136.6 | -61.5 | 177 | 175.9 | 178.6 | -4.9 | 118.4 | | |
| 245 | R | 32.9 | Very low | 31.8 | Very low | 254 Ų | 254 | 149.8 Ų | 149.8 | 96% | 0.958 | 79% | 0.793 | S | S | * | * | | | | -164.4 | 123.7 | 109.7 | -98.8 | 164.1 | -159.8 | -156.4 | 5.7 | 110.3 | | |
| 246 | S | 29 | Very low | 31.9 | Very low | 105 Ų | 105 | 147.6 Ų | 147.6 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | | | trans | -70.3 | 131.7 | 172.3 | 153.6 | 0 | 0 | 0 | 0 | 110.2 | | |
| 247 | A | 32.7 | Very low | 31.9 | Very low | 104 Ų | 104 | 146.9 Ų | 146.9 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | | | trans | -121.2 | 113.3 | 152.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 248 | V | 32.7 | Very low | 31.7 | Very low | 125 Ų | 125 | 146.7 Ų | 146.7 | 76% | 0.758 | 79% | 0.786 | S | S | * | * | | | trans | -68.2 | 130.6 | -173.6 | 169.1 | 0 | 0 | 0 | 0 | 110.5 | A250 | V248-A250 PolarHBondContact O-N 3.32Š|
| 249 | K | 33.4 | Very low | 31.4 | Very low | 198 Ų | 198 | 150.9 Ų | 150.9 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | | | trans | -64.4 | 109 | 167.9 | -85.6 | 174.6 | 173.4 | 174.3 | 0 | 109.5 | R251 | K249-R251 PolarHBondContact O-N 2.78Š|
| 250 | A | 32.9 | Very low | 31.4 | Very low | 99 Ų | 99 | 153.1 Ų | 153.1 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | | | trans | -68.9 | 115 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | V248 S252 | V248-A250 PolarHBondContact O-N 3.32Å; A250-S252 PolarHBondContact O-N 2.85Å |
| 251 | R | 31.1 | Very low | 31.4 | Very low | 245 Ų | 245 | 156 Ų | 156 | 93% | 0.925 | 81% | 0.809 | S | S | * | * | | | trans | -77.1 | 105.8 | 169.4 | -71 | 174.1 | 161.2 | 170.8 | -5.8 | 108 | K249 | K249-R251 PolarHBondContact O-N 2.78Š|
| 252 | S | 31.7 | Very low | 31.8 | Very low | 118 Ų | 118 | 155 Ų | 155 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | | | trans | -97.8 | 102.1 | 155.8 | 47.4 | 0 | 0 | 0 | 0 | 108.1 | A250 | A250-S252 PolarHBondContact O-N 2.85Š|
| 253 | S | 29.8 | Very low | 32.2 | Very low | 105 Ų | 105 | 157 Ų | 157 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | | | trans | -67.6 | 121.9 | 159.8 | 59.5 | 0 | 0 | 0 | 0 | 108.3 | | |
| 254 | L | 29.9 | Very low | 32.7 | Very low | 160 Ų | 160 | 152.6 Ų | 152.6 | 84% | 0.838 | 81% | 0.806 | S | S | * | * | | | trans | -120.9 | 86.3 | 157.4 | -132.5 | 154.8 | 0 | 0 | 0 | 105.9 | | |
| 255 | V | 32.2 | Very low | 33 | Very low | 106 Ų | 106 | 148.7 Ų | 148.7 | 64% | 0.642 | 81% | 0.807 | S | S | * | * | | | trans | -75.2 | 133.1 | 169.7 | 169.4 | 0 | 0 | 0 | 0 | 107.3 | | |
| 256 | D | 33.9 | Very low | 33.1 | Very low | 139 Ų | 139 | 148 Ų | 148 | 74% | 0.743 | 80% | 0.804 | S | S | * | * | | | trans | 47.9 | 83.9 | 154.2 | -57.1 | -24.6 | 0 | 0 | 0 | 118.9 | | |
| 257 | T | 32.4 | Very low | 33.3 | Very low | 133 Ų | 133 | 154.2 Ų | 154.2 | 82% | 0.816 | 81% | 0.811 | S | S | * | * | | | trans | -96.1 | 96.5 | 144.6 | -40.8 | 0 | 0 | 0 | 0 | 109 | | |
| 258 | L | 30.1 | Very low | 33.3 | Very low | 135 Ų | 135 | 155.3 Ų | 155.3 | 71% | 0.707 | 81% | 0.807 | S | S | * | * | | | trans | -34.8 | 134 | 164 | -95.4 | 131.5 | 0 | 0 | 0 | 114.2 | Q260 | L258-Q260 PolarHBondContact O-N 2.8Š|
| 259 | Q | 29.4 | Very low | 33.4 | Very low | 181 Ų | 181 | 155.3 Ų | 155.3 | 85% | 0.846 | 81% | 0.813 | S | S | * | * | | | trans | 21.5 | 92.4 | 141.5 | -59.3 | -170.3 | 26.7 | 0 | 0 | 117.3 | | |
| 260 | Q | 33.5 | Very low | 33.3 | Very low | 188 Ų | 188 | 150.6 Ų | 150.6 | 88% | 0.879 | 81% | 0.805 | S | S | * | * | | | trans | -121.2 | 100.7 | 141.3 | -74 | -163.1 | -3.8 | 0 | 0 | 108.4 | L258 S262 | L258-Q260 PolarHBondContact O-N 2.8Å; Q260-S262 PolarHBondContact O-N 2.91Å |
| 261 | K | 32.4 | Very low | 33.2 | Very low | 214 Ų | 214 | 150 Ų | 150 | 93% | 0.93 | 80% | 0.8 | S | S | * | * | | | trans | -60.2 | 94.8 | 157 | -87.3 | 176 | 176.6 | 168.9 | 0 | 106.8 | Q263 | K261-Q263 PolarHBondContact O-N 3.06Š|
| 262 | S | 40.6 | Very low | 33 | Very low | 109 Ų | 109 | 150.2 Ų | 150.2 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | | | trans | -68.2 | 102.1 | 161.4 | 48 | 0 | 0 | 0 | 0 | 107.2 | Q260 | Q260-S262 PolarHBondContact O-N 2.91Š|
| 263 | Q | 36.3 | Very low | 32.9 | Very low | 177 Ų | 177 | 147.8 Ų | 147.8 | 83% | 0.827 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 128.9 | 163.4 | -156.9 | 170.3 | 15.2 | 0 | 0 | 106.6 | K261 | K261-Q263 PolarHBondContact O-N 3.06Š|
| 264 | P | 39.5 | Very low | 33 | Very low | 107 Ų | 107 | 146.8 Ų | 146.8 | 70% | 0.695 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 143.5 | -179.4 | 20.4 | -30.2 | 0 | 0 | 0 | 109.7 | R266 | P264-R266 PolarHBondContact O-N 3.16Å; P264-R266 VanDerWaalsContact O-N 3.16Å |
| 265 | P | 37.5 | Very low | 33.1 | Very low | 120 Ų | 120 | 146 Ų | 146 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -49.1 | 124.3 | -176.7 | -22.2 | 27.3 | 0 | 0 | 0 | 110.6 | R267 | P265-R267 VanDerWaalsContact C-N 3.29Å; P265-R267 PolarHBondContact O-N 2.81Å |
| 266 | R | 34.4 | Very low | 33.2 | Very low | 240 Ų | 240 | 149.3 Ų | 149.3 | 91% | 0.906 | 79% | 0.791 | S | S | * | * | | | trans | -57.7 | 94.6 | 170.3 | -163.1 | -179.8 | -157.7 | 149.5 | 1.3 | 106.8 | P264 V268 | P264-R266 PolarHBondContact O-N 3.16Å; P264-R266 VanDerWaalsContact O-N 3.16Å; R266-V268 PolarHBondContact O-N 2.96Å |
| 267 | R | 33.8 | Very low | 33.1 | Very low | 235 Ų | 235 | 148.1 Ų | 148.1 | 89% | 0.887 | 79% | 0.789 | S | S | * | * | | | trans | -61.2 | 111.2 | 171.2 | -85.1 | -172.3 | 175.3 | 176.8 | -1.1 | 106.6 | P265 S269 | P265-R267 VanDerWaalsContact C-N 3.29Å; P265-R267 PolarHBondContact O-N 2.81Å; R267-S269 PolarHBondContact O-N 2.79Å |
| 268 | V | 32.6 | Very low | 33.3 | Very low | 127 Ų | 127 | 149.2 Ų | 149.2 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | | | trans | -53.6 | 125.6 | 178.2 | -158.1 | 0 | 0 | 0 | 0 | 107.5 | R266 S270 | R266-V268 PolarHBondContact O-N 2.96Å; V268-S270 PolarHBondContact O-N 3.18Å |
| 269 | S | 33.5 | Very low | 33.6 | Very low | 125 Ų | 125 | 153.8 Ų | 153.8 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | | | trans | -71.2 | 75.5 | 172.8 | -42.9 | 0 | 0 | 0 | 0 | 108.1 | R267 | R267-S269 PolarHBondContact O-N 2.79Š|
| 270 | S | 30.7 | Very low | 33.9 | Very low | 100 Ų | 100 | 156.2 Ų | 156.2 | 70% | 0.699 | 80% | 0.8 | S | S | * | * | | | trans | -90 | 119.2 | 175 | 70.3 | 0 | 0 | 0 | 0 | 109.9 | V268 | V268-S270 PolarHBondContact O-N 3.18Š|
| 271 | A | 30.9 | Very low | 33.8 | Very low | 86 Ų | 86 | 150.4 Ų | 150.4 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | | | trans | 57.5 | 100.5 | 158.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | G273 | A271-G273 PolarHBondContact O-N 2.85Š|
| 272 | Y | 27.1 | Very low | 33.8 | Very low | 250 Ų | 250 | 147.7 Ų | 147.7 | 98% | 0.98 | 79% | 0.786 | S | S | * | * | | | | 25.7 | 81.9 | 78.8 | -107.6 | -90.9 | 0 | 0 | 0 | 111.9 | | |
| 273 | G | 31.1 | Very low | 33.4 | Very low | 67 Ų | 67 | 154.2 Ų | 154.2 | 69% | 0.691 | 79% | 0.794 | S | S | * | * | | | trans | -148.5 | 73.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | A271 | A271-G273 PolarHBondContact O-N 2.85Š|
| 274 | S | 31.6 | Very low | 33.5 | Very low | 83 Ų | 83 | 149.8 Ų | 149.8 | 58% | 0.58 | 78% | 0.783 | S | S | * | * | | | trans | 61.2 | 102.7 | 168.4 | 82.3 | 0 | 0 | 0 | 0 | 118.3 | K276 | S274-K276 PolarHBondContact O-N 2.78Š|
| 275 | D | 30.7 | Very low | 33.1 | Very low | 143 Ų | 143 | 150.5 Ų | 150.5 | 77% | 0.765 | 79% | 0.786 | S | S | * | * | | | trans | -43.5 | 104 | 137.5 | -87.4 | -46.3 | 0 | 0 | 0 | 109.8 | | |
| 276 | K | 34.6 | Very low | 32.7 | Very low | 176 Ų | 176 | 150.7 Ų | 150.7 | 77% | 0.765 | 78% | 0.78 | S | S | * | * | | | trans | -104.2 | 32.4 | 162.6 | -69.2 | -171.4 | -179.2 | 177.5 | 0 | 111.4 | S274 L278 | S274-K276 PolarHBondContact O-N 2.78Å; K276-L278 PolarHBondContact O-N 3.29Å |
| 277 | T | 33.3 | Very low | 32.5 | Very low | 115 Ų | 115 | 144.2 Ų | 144.2 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | | | trans | -70.1 | -9.9 | 165.9 | 40 | 0 | 0 | 0 | 0 | 112.5 | R279 | T277-R279 PolarHBondContact O-N 2.74Å; T277-R279 VanDerWaalsContact O-N 3.15Å |
| 278 | L | 35.8 | Very low | 32.4 | Very low | 156 Ų | 156 | 141.1 Ų | 141.1 | 82% | 0.817 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | 66.9 | 172.4 | -77.3 | 160.4 | 0 | 0 | 0 | 112.6 | K276 | K276-L278 PolarHBondContact O-N 3.29Š|
| 279 | R | 36.8 | Very low | 32.3 | Very low | 231 Ų | 231 | 141.1 Ų | 141.1 | 87% | 0.872 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -145.5 | -9.4 | 157.6 | -81.4 | -155 | -175.1 | -178.2 | 0.7 | 117.2 | T277 G281 | T277-R279 PolarHBondContact O-N 2.74Å; T277-R279 VanDerWaalsContact O-N 3.15Å; R279-G281 PolarHBondContact O-N 3.33Å |
| 280 | Y | 35.2 | Very low | 32.2 | Very low | 232 Ų | 232 | 140.9 Ų | 140.9 | 91% | 0.91 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -101.4 | 77.3 | 160.8 | -71.8 | -78.5 | 0 | 0 | 0 | 107.9 | N282 | Y280-N282 PolarHBondContact O-N 3.35Š|
| 281 | G | 32 | Very low | 32.5 | Very low | 66 Ų | 66 | 141.9 Ų | 141.9 | 68% | 0.68 | 75% | 0.747 | S | S | * | * | | | trans | -50.8 | 137.4 | 162.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | R279 R283 | R279-G281 PolarHBondContact O-N 3.33Å; G281-R283 PolarHBondContact O-N 3.49Å |
| 282 | N | 31.3 | Very low | 32.5 | Very low | 156 Ų | 156 | 144 Ų | 144 | 83% | 0.834 | 75% | 0.746 | S | S | * | * | | | trans | -30.8 | 109.8 | 171.9 | -66.4 | -31.9 | 0 | 0 | 0 | 110.2 | Y280 S284 | Y280-N282 PolarHBondContact O-N 3.35Å; N282-S284 PolarHBondContact O-N 3.35Å |
| 283 | R | 32.5 | Very low | 32.9 | Very low | 246 Ų | 246 | 138.6 Ų | 138.6 | 93% | 0.928 | 73% | 0.734 | S | S | * | * | | | trans | -62.4 | 91 | 145 | -96.7 | -177.8 | 172.3 | -179 | -2.8 | 103.8 | G281 T285 | G281-R283 PolarHBondContact O-N 3.49Å; R283-T285 VanDerWaalsContact C-N 3.34Å; R283-T285 PolarHBondContact O-N 2.93Å |
| 284 | S | 37.8 | Very low | 32.7 | Very low | 85 Ų | 85 | 143 Ų | 143 | 59% | 0.594 | 74% | 0.736 | S | S | * | * | | | trans | -46.9 | 110.9 | 158.2 | 44.9 | 0 | 0 | 0 | 0 | 105.1 | N282 N286 | N282-S284 PolarHBondContact O-N 3.35Å; S284-N286 PolarHBondContact O-N 3.4Å |
| 285 | T | 32.2 | Very low | 32.8 | Very low | 122 Ų | 122 | 142.8 Ų | 142.8 | 75% | 0.748 | 74% | 0.735 | S | S | * | * | | | trans | -52.9 | 100.3 | 155.5 | 40.6 | 0 | 0 | 0 | 0 | 104.5 | R283 T287 | R283-T285 VanDerWaalsContact C-N 3.34Å; R283-T285 PolarHBondContact O-N 2.93Å; T285-T287 PolarHBondContact O-N 3.41Å |
| 286 | N | 28.2 | Very low | 32.8 | Very low | 124 Ų | 124 | 143 Ų | 143 | 66% | 0.663 | 74% | 0.736 | S | S | * | * | | | trans | -65.1 | 77.2 | 160.8 | -84.9 | -4.2 | 0 | 0 | 0 | 105.4 | S284 F288 | S284-N286 PolarHBondContact O-N 3.4Å; N286-F288 HydrophobicContact CB-CD2 4.34Å; N286-F288 HydrophobicContact CB-CE2 4.27Å; N286-F288 PolarHBondContact O-N 3.47Å |
| 287 | T | 31 | Very low | 32.5 | Very low | 103 Ų | 103 | 144.5 Ų | 144.5 | 63% | 0.632 | 74% | 0.739 | S | S | * | * | | | trans | -64.8 | 98.5 | 151 | -38.8 | 0 | 0 | 0 | 0 | 102.6 | T285 N289 | T285-T287 PolarHBondContact O-N 3.41Å; T287-N289 PolarHBondContact O-N 3.4Å |
| 288 | F | 31.2 | Very low | 32.3 | Very low | 171 Ų | 171 | 143.3 Ų | 143.3 | 75% | 0.75 | 74% | 0.735 | S | S | * | * | | | trans | -58.5 | 97.9 | 160.9 | -81.5 | -94 | 0 | 0 | 0 | 104.8 | N286 V290 | N286-F288 HydrophobicContact CB-CD2 4.34Å; N286-F288 HydrophobicContact CB-CE2 4.27Å; N286-F288 PolarHBondContact O-N 3.47Å; F288-V290 HydrophobicContact CB-CG2 4.45Å; F288-V290 PolarHBondContact O-N 3.33Å |
| 289 | N | 30.2 | Very low | 31.9 | Very low | 127 Ų | 127 | 144 Ų | 144 | 68% | 0.679 | 73% | 0.733 | S | S | * | * | | | trans | -62 | 94.4 | 150.3 | -81 | -5.6 | 0 | 0 | 0 | 103.4 | T287 D291 | T287-N289 PolarHBondContact O-N 3.4Å; N289-D291 PolarHBondContact O-N 3.38Å |
| 290 | V | 33.1 | Very low | 31.6 | Very low | 119 Ų | 119 | 140 Ų | 140 | 72% | 0.721 | 73% | 0.728 | S | S | * | * | | | trans | -65.9 | 95 | 156.2 | 179.1 | 0 | 0 | 0 | 0 | 102.5 | F288 N292 | F288-V290 HydrophobicContact CB-CG2 4.45Å; F288-V290 PolarHBondContact O-N 3.33Å; V290-N292 VanDerWaalsContact C-N 3.34Å; V290-N292 PolarHBondContact O-N 2.73Å |
| 291 | D | 35.7 | Very low | 31.2 | Very low | 122 Ų | 122 | 139.3 Ų | 139.3 | 65% | 0.652 | 72% | 0.724 | S | S | * | * | | | trans | -53.3 | 110.8 | 165.2 | -72.3 | -38.3 | 0 | 0 | 0 | 104.9 | N289 D293 | N289-D291 PolarHBondContact O-N 3.38Å; D291-D293 PolarHBondContact O-N 2.95Å |
| 292 | N | 32.2 | Very low | 30.9 | Very low | 129 Ų | 129 | 143.2 Ų | 143.2 | 69% | 0.69 | 73% | 0.729 | S | S | * | * | | | trans | -74.7 | 65.2 | 180 | -163.2 | 41.6 | 0 | 0 | 0 | 106.6 | V290 Q294 | V290-N292 VanDerWaalsContact C-N 3.34Å; V290-N292 PolarHBondContact O-N 2.73Å; N292-Q294 PolarHBondContact O-N 2.96Å |
| 293 | D | 33.7 | Very low | 30.9 | Very low | 137 Ų | 137 | 142.6 Ų | 142.6 | 73% | 0.733 | 72% | 0.724 | S | S | * | * | | | trans | -72.9 | 71.9 | 167.9 | -77.6 | -18.5 | 0 | 0 | 0 | 106.9 | D291 S295 | D291-D293 PolarHBondContact O-N 2.95Å; D293-S295 PolarHBondContact O-N 3.25Å |
| 294 | Q | 27.6 | Very low | 30.7 | Very low | 159 Ų | 159 | 140 Ų | 140 | 74% | 0.743 | 72% | 0.72 | S | S | * | * | | | trans | -67.4 | 71.5 | 151.9 | -76.8 | -168.4 | -14.5 | 0 | 0 | 107.4 | N292 | N292-Q294 PolarHBondContact O-N 2.96Š|
| 295 | S | 33.9 | Very low | 30.4 | Very low | 79 Ų | 79 | 144.7 Ų | 144.7 | 55% | 0.552 | 73% | 0.733 | S | S | * | * | | | trans | -83.1 | 109.5 | 158.8 | 47.7 | 0 | 0 | 0 | 0 | 107.2 | D293 Y297 | D293-S295 PolarHBondContact O-N 3.25Å; S295-Y297 PolarHBondContact O-N 3.38Å |
| 296 | D | 31.3 | Very low | 30.2 | Very low | 147 Ų | 147 | 141.8 Ų | 141.8 | 79% | 0.786 | 73% | 0.727 | S | S | * | * | | | trans | -46.8 | 89.9 | 173.5 | -67.4 | -47.9 | 0 | 0 | 0 | 112.2 | S298 | D296-S298 PolarHBondContact O-N 2.9Š|
| 297 | Y | 27.5 | Very low | 30.3 | Very low | 209 Ų | 209 | 142 Ų | 142 | 82% | 0.82 | 74% | 0.735 | S | S | * | * | | | trans | -91.7 | 61.2 | 163.6 | -93.9 | -85 | 0 | 0 | 0 | 109.8 | S295 | S295-Y297 PolarHBondContact O-N 3.38Š|
| 298 | S | 29.3 | Very low | 30.4 | Very low | 90 Ų | 90 | 143.4 Ų | 143.4 | 63% | 0.629 | 74% | 0.744 | S | S | * | * | | | trans | -103.6 | 82.8 | 160.9 | 60.5 | 0 | 0 | 0 | 0 | 108.7 | D296 | D296-S298 PolarHBondContact O-N 2.9Š|
| 299 | H | 27.1 | Very low | 30.2 | Very low | 169 Ų | 169 | 144.3 Ų | 144.3 | 78% | 0.782 | 75% | 0.75 | S | S | * | * | | | trans | 155.8 | 84.9 | 153.8 | -90.1 | -40.7 | 0 | 0 | 0 | 110.9 | | |
| 300 | I | 30.1 | Very low | 30.2 | Very low | 149 Ų | 149 | 147 Ų | 147 | 76% | 0.764 | 76% | 0.759 | S | S | * | * | | | trans | -130.7 | 104.7 | 138.3 | -59.5 | -176.7 | 0 | 0 | 0 | 106.6 | | |
| 301 | R | 27.2 | Very low | 29.9 | Very low | 216 Ų | 216 | 146.5 Ų | 146.5 | 82% | 0.815 | 76% | 0.76 | S | S | * | * | | | trans | -48.2 | 141.9 | 169 | -85.8 | 171 | 160.8 | 173.9 | -5.7 | 110.8 | I303 | R301-I303 PolarHBondContact O-N 3.38Š|
| 302 | N | 27.1 | Very low | 29.5 | Very low | 149 Ų | 149 | 149.4 Ų | 149.4 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | | | trans | -17.4 | 95.7 | 145.2 | -60.1 | -18.7 | 0 | 0 | 0 | 113.1 | | |
| 303 | I | 30.4 | Very low | 29.3 | Very low | 143 Ų | 143 | 149.4 Ų | 149.4 | 73% | 0.733 | 78% | 0.775 | S | S | * | * | | | trans | -89.2 | 106.6 | 154.7 | -62.6 | 177.4 | 0 | 0 | 0 | 104.9 | R301 E305 | R301-I303 PolarHBondContact O-N 3.38Å; I303-E305 PolarHBondContact O-N 2.86Å |
| 304 | F | 29 | Very low | 29.2 | Very low | 190 Ų | 190 | 148.7 Ų | 148.7 | 83% | 0.833 | 78% | 0.777 | S | S | * | * | | | trans | -53.5 | 113.9 | 159.8 | -89.6 | -105.8 | 0 | 0 | 0 | 108.6 | | |
| 305 | E | 30 | Very low | 29.4 | Very low | 185 Ų | 185 | 146.6 Ų | 146.6 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | | | trans | -142.8 | 124.3 | 152 | -115.1 | 175.2 | -175 | 0 | 0 | 108.2 | I303 | I303-E305 PolarHBondContact O-N 2.86Š|
| 306 | G | 28 | Very low | 29.1 | Very low | 61 Ų | 61 | 145 Ų | 145 | 63% | 0.629 | 77% | 0.772 | S | S | * | * | | | trans | -69.2 | 174.9 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | T308 | G306-T308 PolarHBondContact O-N 3.19Š|
| 307 | P | 31.9 | Very low | 29.2 | Very low | 128 Ų | 128 | 144.4 Ų | 144.4 | 83% | 0.831 | 78% | 0.776 | S | S | * | * | | | trans | -78.2 | 106.9 | -165.7 | 30.5 | -33 | 0 | 0 | 0 | 111.5 | Q309 | P307-Q309 PolarHBondContact O-N 3.12Š|
| 308 | T | 31.5 | Very low | 29.4 | Very low | 132 Ų | 132 | 140.5 Ų | 140.5 | 81% | 0.81 | 77% | 0.769 | S | S | * | * | | | trans | -80.8 | 101.5 | 159.5 | 44.8 | 0 | 0 | 0 | 0 | 109.1 | G306 Q310 | G306-T308 PolarHBondContact O-N 3.19Å; T308-Q310 PolarHBondContact O-N 2.94Å; T308-Q310 VanDerWaalsContact O-N 3.08Å |
| 309 | Q | 28 | Very low | 29.4 | Very low | 191 Ų | 191 | 142.4 Ų | 142.4 | 89% | 0.893 | 77% | 0.772 | S | S | * | * | | | trans | -55 | 104.4 | 160.5 | -65.5 | 174.1 | -1 | 0 | 0 | 108.6 | P307 | P307-Q309 PolarHBondContact O-N 3.12Š|
| 310 | Q | 29 | Very low | 29.8 | Very low | 184 Ų | 184 | 143.1 Ų | 143.1 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | | | trans | -116 | 117.7 | 159 | -89.7 | -172.8 | -3 | 0 | 0 | 109.5 | T308 | T308-Q310 PolarHBondContact O-N 2.94Å; T308-Q310 VanDerWaalsContact O-N 3.08Å |
| 311 | S | 28.2 | Very low | 29.9 | Very low | 107 Ų | 107 | 143.2 Ų | 143.2 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | | | trans | -36.4 | 138.2 | 174.3 | 46.9 | 0 | 0 | 0 | 0 | 115.7 | | |
| 312 | H | 26.5 | Very low | 30.2 | Very low | 183 Ų | 183 | 137.5 Ų | 137.5 | 85% | 0.847 | 77% | 0.767 | S | S | * | * | | | trans | -33.8 | 137.4 | 162.9 | -61.5 | -81.4 | 0 | 0 | 0 | 115.7 | | |
| 313 | T | 28.9 | Very low | 30.4 | Very low | 130 Ų | 130 | 138.3 Ų | 138.3 | 80% | 0.798 | 77% | 0.771 | S | S | * | * | | | trans | -138.3 | 110.6 | 136.4 | -0.9 | 0 | 0 | 0 | 0 | 107.6 | T315 | T313-T315 PolarHBondContact O-N 3.19Å; T313-T315 VanDerWaalsContact O-N 3.1Å |
| 314 | P | 31.5 | Very low | 30.5 | Very low | 121 Ų | 121 | 138.8 Ų | 138.8 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | | | trans | -76.3 | 95.6 | 175.7 | 29.5 | -28.9 | 0 | 0 | 0 | 108.3 | G316 | P314-G316 PolarHBondContact O-N 2.66Š|
| 315 | T | 30.9 | Very low | 30.6 | Very low | 115 Ų | 115 | 134.8 Ų | 134.8 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | | | trans | -68.8 | 114.6 | 169.1 | -46.4 | 0 | 0 | 0 | 0 | 107.9 | T313 | T313-T315 PolarHBondContact O-N 3.19Å; T313-T315 VanDerWaalsContact O-N 3.1Å |
| 316 | G | 28 | Very low | 30.7 | Very low | 47 Ų | 47 | 130.2 Ų | 130.2 | 49% | 0.485 | 76% | 0.764 | S | S | . | * | | | trans | -63.9 | 168.8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | P314 N318 | P314-G316 PolarHBondContact O-N 2.66Å; G316-N318 PolarHBondContact O-N 2.86Å |
| 317 | P | 33.4 | Very low | 30.7 | Very low | 134 Ų | 134 | 138.3 Ų | 138.3 | 87% | 0.87 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | 25.6 | -165.6 | 31.5 | -35.8 | 0 | 0 | 0 | 115.6 | | |
| 318 | N | 31.2 | Very low | 30.8 | Very low | 127 Ų | 127 | 141.9 Ų | 141.9 | 68% | 0.679 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.8 | 8.6 | -172.2 | -78.3 | -15.5 | 0 | 0 | 0 | 115.9 | G316 F320 | G316-N318 PolarHBondContact O-N 2.86Å; N318-F320 PolarHBondContact O-N 3.44Å |
| 319 | D | 30.6 | Very low | 30.8 | Very low | 129 Ų | 129 | 143.3 Ų | 143.3 | 69% | 0.69 | 78% | 0.78 | S | S | * | * | | | trans | -80 | 79.7 | 171.1 | -70.8 | -15.6 | 0 | 0 | 0 | 109.6 | I321 | D319-I321 VanDerWaalsContact C-N 3.35Å; D319-I321 PolarHBondContact O-N 2.75Å |
| 320 | F | 33.8 | Very low | 30.9 | Very low | 185 Ų | 185 | 141.5 Ų | 141.5 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | | | trans | -51 | 104.4 | 159.4 | -79.5 | -88.9 | 0 | 0 | 0 | 107.5 | N318 S322 | N318-F320 PolarHBondContact O-N 3.44Å; F320-S322 VanDerWaalsContact C-N 3.3Å; F320-S322 PolarHBondContact O-N 2.86Å |
| 321 | I | 32.4 | Very low | 31 | Very low | 150 Ų | 150 | 140 Ų | 140 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | | | trans | -57.7 | 100.5 | 170.7 | -60.3 | 170.3 | 0 | 0 | 0 | 106.1 | D319 L323 | D319-I321 VanDerWaalsContact C-N 3.35Å; D319-I321 PolarHBondContact O-N 2.75Å; I321-L323 PolarHBondContact O-N 3.14Å |
| 322 | S | 33.6 | Very low | 30.9 | Very low | 96 Ų | 96 | 143.2 Ų | 143.2 | 67% | 0.671 | 77% | 0.773 | S | S | * | * | | | trans | -59.7 | 104.5 | 174.5 | -86.3 | 0 | 0 | 0 | 0 | 108 | F320 N324 | F320-S322 VanDerWaalsContact C-N 3.3Å; F320-S322 PolarHBondContact O-N 2.86Å; S322-N324 PolarHBondContact O-N 3.08Å |
| 323 | L | 32.3 | Very low | 31.1 | Very low | 167 Ų | 167 | 141.8 Ų | 141.8 | 87% | 0.874 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -71.3 | 44.5 | 171.1 | -74.5 | 164.9 | 0 | 0 | 0 | 111.3 | I321 | I321-L323 PolarHBondContact O-N 3.14Š|
| 324 | N | 31.7 | Very low | 31.1 | Very low | 153 Ų | 153 | 141.7 Ų | 141.7 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | | | trans | -113.4 | 26 | 168.8 | -83.9 | -15.8 | 0 | 0 | 0 | 111.1 | S322 A326 | S322-N324 PolarHBondContact O-N 3.08Å; N324-A326 PolarHBondContact O-N 3.46Å |
| 325 | S | 30.9 | Very low | 31.1 | Very low | 105 Ų | 105 | 139.9 Ų | 139.9 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | | | trans | -75.1 | 83.3 | 164.8 | -167.5 | 0 | 0 | 0 | 0 | 108.5 | R327 | S325-R327 VanDerWaalsContact C-N 3.26Å; S325-R327 PolarHBondContact O-N 3.2Å |
| 326 | A | 31.8 | Very low | 31 | Very low | 90 Ų | 90 | 143.3 Ų | 143.3 | 74% | 0.744 | 77% | 0.768 | S | S | * | * | | | trans | -55.6 | 97 | 160.4 | 0 | 0 | 0 | 0 | 0 | 107 | N324 K328 | N324-A326 PolarHBondContact O-N 3.46Å; A326-K328 PolarHBondContact O-N 3.3Å |
| 327 | R | 28.4 | Very low | 31.1 | Very low | 231 Ų | 231 | 148.3 Ų | 148.3 | 87% | 0.872 | 78% | 0.784 | S | S | * | * | | | trans | -56.1 | 103.3 | 170.1 | -85.7 | -178 | -179.8 | 164.8 | 0.1 | 107.1 | S325 L329 | S325-R327 VanDerWaalsContact C-N 3.26Å; S325-R327 PolarHBondContact O-N 3.2Å; R327-L329 VanDerWaalsContact C-N 3.28Å; R327-L329 PolarHBondContact O-N 3.01Å |
| 328 | K | 33.4 | Very low | 30.8 | Very low | 202 Ų | 202 | 150 Ų | 150 | 88% | 0.878 | 78% | 0.78 | S | S | * | * | | | trans | -54 | 98.7 | 156.7 | -85.5 | 179.4 | 172.7 | 178.2 | 0 | 106.4 | A326 N330 | A326-K328 PolarHBondContact O-N 3.3Å; K328-N330 PolarHBondContact O-N 3.41Å |
| 329 | L | 32.1 | Very low | 30.6 | Very low | 162 Ų | 162 | 151.8 Ų | 151.8 | 85% | 0.848 | 78% | 0.784 | S | S | * | * | | | trans | -65.3 | 104.8 | 163.7 | -93.2 | 161.1 | 0 | 0 | 0 | 105.9 | R327 E331 | R327-L329 VanDerWaalsContact C-N 3.28Å; R327-L329 PolarHBondContact O-N 3.01Å; L329-E331 VanDerWaalsContact C-N 3.31Å; L329-E331 PolarHBondContact O-N 3.5Å |
| 330 | N | 30.1 | Very low | 30.4 | Very low | 153 Ų | 153 | 151.3 Ų | 151.3 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | trans | -68.6 | 95.8 | 170.6 | -155.5 | 14.2 | 0 | 0 | 0 | 106 | K328 Q332 | K328-N330 PolarHBondContact O-N 3.41Å; N330-Q332 VanDerWaalsContact C-N 3.31Å; N330-Q332 PolarHBondContact O-N 2.76Å |
| 331 | E | 30.9 | Very low | 30.1 | Very low | 153 Ų | 153 | 149.8 Ų | 149.8 | 72% | 0.715 | 79% | 0.786 | S | S | * | * | | | trans | -63.6 | 97.2 | 170.4 | -80.7 | -172.6 | 159.6 | 0 | 0 | 107.8 | L329 M333 | L329-E331 VanDerWaalsContact C-N 3.31Å; L329-E331 PolarHBondContact O-N 3.5Å; E331-M333 PolarHBondContact O-N 2.76Å |
| 332 | Q | 27.3 | Very low | 30.1 | Very low | 175 Ų | 175 | 150.4 Ų | 150.4 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | | | trans | -73.5 | 77.4 | 169.9 | -153.8 | 176.7 | 30.5 | 0 | 0 | 107.6 | N330 T334 | N330-Q332 VanDerWaalsContact C-N 3.31Å; N330-Q332 PolarHBondContact O-N 2.76Å; Q332-T334 PolarHBondContact O-N 3.11Å; Q332-T334 PolarHBondContact O-OG1 2.82Å |
| 333 | M | 30 | Very low | 29.7 | Very low | 153 Ų | 153 | 151.5 Ų | 151.5 | 75% | 0.754 | 79% | 0.791 | S | S | * | * | | | trans | -63.2 | 97.7 | 171.3 | -83.5 | -121.2 | -176.4 | 0 | 0 | 109 | E331 A335 | E331-M333 PolarHBondContact O-N 2.76Å; M333-A335 PolarHBondContact O-N 2.87Å |
| 334 | T | 28.8 | Very low | 29.6 | Very low | 128 Ų | 128 | 151.1 Ų | 151.1 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | | | trans | -80.9 | 67 | 169.1 | -25.9 | 0 | 0 | 0 | 0 | 108.9 | Q332 K336 | Q332-T334 PolarHBondContact O-N 3.11Å; Q332-T334 PolarHBondContact O-OG1 2.82Å; T334-K336 PolarHBondContact O-N 2.8Å |
| 335 | A | 31.4 | Very low | 29.5 | Very low | 83 Ų | 83 | 150.2 Ų | 150.2 | 69% | 0.686 | 78% | 0.78 | S | S | * | * | | | trans | -90.2 | 99.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | M333 N337 | M333-A335 PolarHBondContact O-N 2.87Å; A335-N337 PolarHBondContact O-N 2.76Å |
| 336 | K | 28.7 | Very low | 29.3 | Very low | 187 Ų | 187 | 155.2 Ų | 155.2 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | | | trans | -60.3 | 117.7 | 159.2 | -70.9 | 174.7 | 175.8 | 177 | 0 | 108.2 | T334 | T334-K336 PolarHBondContact O-N 2.8Š|
| 337 | N | 30.2 | Very low | 29.3 | Very low | 152 Ų | 152 | 157.7 Ų | 157.7 | 81% | 0.813 | 79% | 0.794 | S | S | * | * | | | trans | 172.1 | 94.7 | 150.9 | -83.2 | -22.4 | 0 | 0 | 0 | 106.7 | A335 | A335-N337 PolarHBondContact O-N 2.76Š|
| 338 | Q | 27.7 | Very low | 29.4 | Very low | 170 Ų | 170 | 151.3 Ų | 151.3 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | | | | 50.7 | 115.4 | 97.6 | -75.3 | -160.4 | 5.1 | 0 | 0 | 115.2 | | |
| 339 | H | 25.4 | Very low | 29.1 | Very low | 164 Ų | 164 | 148.7 Ų | 148.7 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | | | trans | 89.1 | 107.8 | 151.8 | -74 | -69.2 | 0 | 0 | 0 | 121.5 | | |
| 340 | T | 28.4 | Very low | 29.2 | Very low | 119 Ų | 119 | 147.1 Ų | 147.1 | 73% | 0.73 | 78% | 0.778 | S | S | * | * | | | trans | 99.5 | 117.9 | 132.6 | -42 | 0 | 0 | 0 | 0 | 118.1 | I342 | T340-I342 PolarHBondContact O-N 3.04Š|
| 341 | L | 25.9 | Very low | 29.2 | Very low | 153 Ų | 153 | 146 Ų | 146 | 80% | 0.801 | 77% | 0.772 | S | S | * | * | | | trans | -56.7 | 120.4 | 169.9 | -77 | 99.3 | 0 | 0 | 0 | 111.2 | | |
| 342 | I | 32.2 | Very low | 29.4 | Very low | 163 Ų | 163 | 145.2 Ų | 145.2 | 84% | 0.836 | 77% | 0.772 | S | S | * | * | | | trans | -128.4 | 99.4 | 151.2 | -60.7 | 179.5 | 0 | 0 | 0 | 106.6 | T340 | T340-I342 PolarHBondContact O-N 3.04Š|
| 343 | V | 26.8 | Very low | 29.7 | Very low | 118 Ų | 118 | 144.3 Ų | 144.3 | 72% | 0.715 | 77% | 0.767 | S | S | * | * | | | trans | -73.7 | 117.4 | 163.9 | 174.5 | 0 | 0 | 0 | 0 | 106.6 | | |
| 344 | Q | 29 | Very low | 30 | Very low | 159 Ų | 159 | 145.5 Ų | 145.5 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | | | trans | 173.8 | 139 | 134.3 | -101.3 | 174.7 | -4.6 | 0 | 0 | 113.6 | | |
| 345 | N | 29.3 | Very low | 30.2 | Very low | 134 Ų | 134 | 148.1 Ų | 148.1 | 72% | 0.717 | 77% | 0.771 | S | S | * | * | | | trans | 80.3 | 105.8 | 146.9 | -62.6 | -14.5 | 0 | 0 | 0 | 119.8 | | |
| 346 | K | 27.1 | Very low | 30.3 | Very low | 210 Ų | 210 | 151.5 Ų | 151.5 | 91% | 0.913 | 78% | 0.777 | S | S | * | * | | | trans | -41.5 | 129.9 | 152 | -64.6 | 175 | 173.4 | -179.4 | 0 | 111.6 | | |
| 347 | T | 31.5 | Very low | 30.7 | Very low | 142 Ų | 142 | 148.4 Ų | 148.4 | 87% | 0.871 | 78% | 0.776 | S | S | * | * | | | trans | -144.9 | 139.7 | 144.8 | 19.3 | 0 | 0 | 0 | 0 | 109 | | |
| 348 | S | 31.9 | Very low | 31.1 | Very low | 98 Ų | 98 | 151 Ų | 151 | 69% | 0.685 | 78% | 0.78 | S | S | * | * | | | trans | -69.8 | 153.9 | -167.2 | 44.9 | 0 | 0 | 0 | 0 | 115.6 | | |
| 349 | D | 26.1 | Very low | 31.4 | Very low | 147 Ų | 147 | 147.9 Ų | 147.9 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | | | trans | 31.3 | 108.8 | 142.2 | -63.3 | -34 | 0 | 0 | 0 | 118.3 | | |
| 350 | T | 33.4 | Very low | 31.8 | Very low | 129 Ų | 129 | 145 Ų | 145 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | | | trans | -138.1 | 106 | 138.1 | -33.3 | 0 | 0 | 0 | 0 | 108.5 | I352 | T350-I352 PolarHBondContact O-N 2.73Š|
| 351 | D | 31.8 | Very low | 32 | Very low | 130 Ų | 130 | 145.5 Ų | 145.5 | 70% | 0.695 | 78% | 0.778 | S | S | * | * | | | trans | -47.8 | 92.6 | 165.1 | -87.3 | -41.6 | 0 | 0 | 0 | 110.9 | H353 | D351-H353 PolarHBondContact O-N 2.9Å; D351-H353 IonicContact OD1-CD2 3.5Å; D351-H353 PolarHBondContact OD1-CD2 2.77Å; D351-H353 IonicContact OD1-NE2 2.71Å |
| 352 | I | 34.5 | Very low | 32.4 | Very low | 136 Ų | 136 | 145.1 Ų | 145.1 | 70% | 0.697 | 78% | 0.776 | S | S | * | * | | | trans | -90.9 | 65.8 | 160.5 | -53.5 | 177.5 | 0 | 0 | 0 | 106.6 | T350 K354 | T350-I352 PolarHBondContact O-N 2.73Å; I352-K354 HydrophobicContact CG2-CD 4.39Å; I352-K354 HydrophobicContact CG2-CG 3.93Å; I352-K354 PolarHBondContact O-N 2.92Å |
| 353 | H | 33.5 | Very low | 32.5 | Very low | 156 Ų | 156 | 142.2 Ų | 142.2 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | | | trans | -65.5 | 80.9 | 157.6 | -84 | -67.3 | 0 | 0 | 0 | 107.8 | D351 Q355 | D351-H353 PolarHBondContact O-N 2.9Å; D351-H353 IonicContact OD1-CD2 3.5Å; D351-H353 PolarHBondContact OD1-CD2 2.77Å; D351-H353 IonicContact OD1-NE2 2.71Å; H353-Q355 VanDerWaalsContact C-N 3.26Å; H353-Q355 PolarHBondContact O-N 2.91Å |
| 354 | K | 36.7 | Very low | 32.7 | Very low | 177 Ų | 177 | 142.4 Ų | 142.4 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | | | trans | -60.9 | 97.1 | 160.3 | -86.9 | 174.2 | -176.8 | 179.5 | 0 | 106.7 | I352 L356 | I352-K354 HydrophobicContact CG2-CD 4.39Å; I352-K354 HydrophobicContact CG2-CG 3.93Å; I352-K354 PolarHBondContact O-N 2.92Å; K354-L356 PolarHBondContact O-N 3.15Å |
| 355 | Q | 32.6 | Very low | 33.1 | Very low | 184 Ų | 184 | 140.2 Ų | 140.2 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | | | trans | -47.9 | 103.5 | 167.6 | -72.9 | 179.3 | 7.6 | 0 | 0 | 108.2 | H353 P357 | H353-Q355 VanDerWaalsContact C-N 3.26Å; H353-Q355 PolarHBondContact O-N 2.91Å; Q355-P357 WeakPolarHBondContact O-CD 3.47Å |
| 356 | L | 33.7 | Very low | 33.5 | Very low | 154 Ų | 154 | 139.3 Ų | 139.3 | 81% | 0.806 | 77% | 0.771 | S | S | * | * | | | trans | -63 | 125.5 | 160.7 | -103.1 | 85.8 | 0 | 0 | 0 | 106.4 | K354 K358 | K354-L356 PolarHBondContact O-N 3.15Å; L356-K358 PolarHBondContact O-N 2.83Å |
| 357 | P | 36.4 | Very low | 33.8 | Very low | 121 Ų | 121 | 135.1 Ų | 135.1 | 79% | 0.786 | 76% | 0.762 | S | S | * | * | | | trans | -59 | 114.3 | 179.5 | 21.6 | -30.7 | 0 | 0 | 0 | 108.7 | Q355 S359 | Q355-P357 WeakPolarHBondContact O-CD 3.47Å; P357-S359 PolarHBondContact O-N 3.06Å |
| 358 | K | 38.5 | Very low | 34.1 | Very low | 206 Ų | 206 | 132.6 Ų | 132.6 | 90% | 0.896 | 75% | 0.75 | S | S | * | * | | | trans | -52.7 | 115.6 | 171 | -68.7 | 177.9 | 179.6 | 178 | 0 | 107.1 | L356 S360 | L356-K358 PolarHBondContact O-N 2.83Å; K358-S360 PolarHBondContact O-N 3.44Å |
| 359 | S | 34.2 | Very low | 34.5 | Very low | 106 Ų | 106 | 136.5 Ų | 136.5 | 74% | 0.741 | 76% | 0.755 | S | S | * | * | | | trans | -53.8 | 122.2 | 173.3 | 49.8 | 0 | 0 | 0 | 0 | 108.7 | P357 V361 | P357-S359 PolarHBondContact O-N 3.06Å; S359-V361 PolarHBondContact O-N 3.24Å |
| 360 | S | 34 | Very low | 35.2 | Very low | 104 Ų | 104 | 137.3 Ų | 137.3 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | | | trans | -50.2 | 105.1 | 174.9 | 170.1 | 0 | 0 | 0 | 0 | 109.8 | K358 L362 | K358-S360 PolarHBondContact O-N 3.44Å; S360-L362 PolarHBondContact O-N 2.88Å |
| 361 | V | 33.2 | Very low | 35.4 | Very low | 128 Ų | 128 | 138.8 Ų | 138.8 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | | | trans | -75.3 | 112.7 | 160.6 | 179.2 | 0 | 0 | 0 | 0 | 104.8 | S359 S363 | S359-V361 PolarHBondContact O-N 3.24Å; V361-S363 VanDerWaalsContact C-N 3.31Å; V361-S363 PolarHBondContact O-N 3.1Å |
| 362 | L | 33.3 | Very low | 35.5 | Very low | 145 Ų | 145 | 138.3 Ų | 138.3 | 76% | 0.759 | 75% | 0.754 | S | S | * | * | | | trans | -62.1 | 96.3 | 171.4 | -121.9 | 93.9 | 0 | 0 | 0 | 107.5 | S360 V364 | S360-L362 PolarHBondContact O-N 2.88Å; L362-V364 PolarHBondContact O-N 3.37Å; L362-V364 VanDerWaalsContact O-N 3.14Å |
| 363 | S | 35.3 | Very low | 35.7 | Very low | 102 Ų | 102 | 140.3 Ų | 140.3 | 71% | 0.713 | 76% | 0.757 | S | S | * | * | | | trans | -74 | 100.1 | 167.7 | 57.6 | 0 | 0 | 0 | 0 | 107.4 | V361 T365 | V361-S363 VanDerWaalsContact C-N 3.31Å; V361-S363 PolarHBondContact O-N 3.1Å; S363-T365 PolarHBondContact O-N 3.14Å; S363-T365 VanDerWaalsContact O-N 3.14Å |
| 364 | V | 31.7 | Very low | 36 | Very low | 123 Ų | 123 | 142.4 Ų | 142.4 | 75% | 0.745 | 77% | 0.765 | S | S | * | * | | | trans | -74.8 | 99.8 | 169.7 | -179.2 | 0 | 0 | 0 | 0 | 106.8 | L362 P366 | L362-V364 PolarHBondContact O-N 3.37Å; L362-V364 VanDerWaalsContact O-N 3.14Å; V364-P366 WeakPolarHBondContact O-CD 3.28Å |
| 365 | T | 35.7 | Very low | 36.1 | Very low | 113 Ų | 113 | 142.8 Ų | 142.8 | 69% | 0.693 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 121.4 | 170.8 | -32 | 0 | 0 | 0 | 0 | 107.7 | S363 V367 | S363-T365 PolarHBondContact O-N 3.14Å; S363-T365 VanDerWaalsContact O-N 3.14Å; T365-V367 PolarHBondContact O-N 3.07Å |
| 366 | P | 37.6 | Very low | 36.4 | Very low | 115 Ų | 115 | 143.8 Ų | 143.8 | 75% | 0.747 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 121.6 | 175.7 | 23.9 | -30.7 | 0 | 0 | 0 | 109 | V364 S368 | V364-P366 WeakPolarHBondContact O-CD 3.28Å; P366-S368 PolarHBondContact O-N 2.79Å; P366-S368 VanDerWaalsContact O-N 3.17Å |
| 367 | V | 34.6 | Very low | 36.8 | Very low | 121 Ų | 121 | 143.7 Ų | 143.7 | 73% | 0.733 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 116.7 | 177.3 | 178.2 | 0 | 0 | 0 | 0 | 108.1 | T365 F369 | T365-V367 PolarHBondContact O-N 3.07Å; V367-F369 PolarHBondContact O-N 2.89Å |
| 368 | S | 36.6 | Very low | 37.1 | Very low | 89 Ų | 89 | 143.7 Ų | 143.7 | 62% | 0.622 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 123.5 | 177 | 68.2 | 0 | 0 | 0 | 0 | 109.7 | P366 Q370 | P366-S368 PolarHBondContact O-N 2.79Å; P366-S368 VanDerWaalsContact O-N 3.17Å; S368-Q370 PolarHBondContact O-N 2.75Å |
| 369 | F | 41 | Very low | 37.2 | Very low | 180 Ų | 180 | 139.4 Ų | 139.4 | 79% | 0.789 | 76% | 0.764 | S | S | * | * | | | trans | -77.7 | 64.2 | 177.7 | -65.3 | -86.7 | 0 | 0 | 0 | 110.8 | V367 I372 | V367-F369 PolarHBondContact O-N 2.89Å; F369-I372 HydrophobicContact CB-CD1 4.49Å |
| 370 | Q | 41.2 | Very low | 37.5 | Very low | 165 Ų | 165 | 139.2 Ų | 139.2 | 77% | 0.771 | 76% | 0.763 | S | S | * | * | | | trans | -95.1 | 2.3 | -176.6 | -135.1 | 165 | 9.8 | 0 | 0 | 114.6 | S368 | S368-Q370 PolarHBondContact O-N 2.75Š|
| 371 | N | 37 | Very low | 38 | Very low | 159 Ų | 159 | 140.3 Ų | 140.3 | 85% | 0.85 | 77% | 0.768 | S | S | * | * | | | trans | -129.2 | 37.1 | -175.6 | -81.3 | -32.8 | 0 | 0 | 0 | 114.9 | K373 | N371-K373 PolarHBondContact O-N 3.15Å; N371-K373 VanDerWaalsContact O-N 3.1Å |
| 372 | I | 34.3 | Very low | 38.4 | Very low | 121 Ų | 121 | 143.9 Ų | 143.9 | 62% | 0.621 | 77% | 0.773 | S | S | * | * | | | trans | -79.4 | 95.8 | 167.6 | -54.9 | 177.8 | 0 | 0 | 0 | 107.9 | F369 F374 | F369-I372 HydrophobicContact CB-CD1 4.49Å; I372-F374 PolarHBondContact O-N 3.2Å; I372-F374 VanDerWaalsContact O-N 3.16Å |
| 373 | K | 38.1 | Very low | 38.6 | Very low | 177 Ų | 177 | 148.7 Ų | 148.7 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | | | trans | -60.1 | 115.3 | 167.9 | -82.3 | 179.8 | 176.4 | 176.7 | 0 | 108.6 | N371 F375 | N371-K373 PolarHBondContact O-N 3.15Å; N371-K373 VanDerWaalsContact O-N 3.1Å; K373-F375 WeakPolarHBondContact O-CD2 3.41Å; K373-F375 PolarHBondContact O-N 3.11Å |
| 374 | F | 40.5 | Very low | 39.1 | Very low | 201 Ų | 201 | 149.1 Ų | 149.1 | 88% | 0.882 | 78% | 0.784 | S | S | * | * | | | trans | -63.7 | 103.3 | 170.5 | -64.3 | -85.2 | 0 | 0 | 0 | 109.2 | I372 K376 | I372-F374 PolarHBondContact O-N 3.2Å; I372-F374 VanDerWaalsContact O-N 3.16Å; F374-K376 PolarHBondContact O-N 2.97Å |
| 375 | F | 38.9 | Very low | 39.5 | Very low | 185 Ų | 185 | 149.7 Ų | 149.7 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 124.1 | 166.6 | -72.9 | -85.9 | 0 | 0 | 0 | 108 | K373 N377 | K373-F375 WeakPolarHBondContact O-CD2 3.41Å; K373-F375 PolarHBondContact O-N 3.11Å; F375-N377 PolarHBondContact O-N 3.35Å |
| 376 | K | 39.2 | Very low | 39.6 | Very low | 205 Ų | 205 | 153.3 Ų | 153.3 | 89% | 0.891 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 125.9 | 171 | -78.8 | -179.5 | 176.4 | 178.5 | 0 | 108.2 | F374 | F374-K376 PolarHBondContact O-N 2.97Š|
| 377 | N | 41.2 | Very low | 39.8 | Very low | 151 Ų | 151 | 153.3 Ų | 153.3 | 81% | 0.807 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 135.3 | 177.1 | -77.4 | -22.3 | 0 | 0 | 0 | 110.4 | F375 S379 | F375-N377 PolarHBondContact O-N 3.35Å; N377-S379 PolarHBondContact O-N 3.24Å |
| 378 | P | 42.8 | Very low | 40.1 | Very low | 122 Ų | 122 | 157.3 Ų | 157.3 | 79% | 0.792 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -61 | 129.7 | 174.5 | 24.9 | -31.5 | 0 | 0 | 0 | 109.1 | S380 | P378-S380 PolarHBondContact O-N 2.87Š|
| 379 | S | 40.7 | Very low | 40.2 | Very low | 116 Ų | 116 | 163.3 Ų | 163.3 | 81% | 0.811 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 126.7 | 173.7 | 32.9 | 0 | 0 | 0 | 0 | 109.6 | N377 | N377-S379 PolarHBondContact O-N 3.24Š|
| 380 | S | 40.8 | Very low | 39.7 | Very low | 102 Ų | 102 | 158 Ų | 158 | 71% | 0.713 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 133.2 | 178.5 | 43.2 | 0 | 0 | 0 | 0 | 110.6 | P378 K382 | P378-S380 PolarHBondContact O-N 2.87Å; S380-K382 PolarHBondContact O-N 3.3Å; S380-K382 VanDerWaalsContact O-N 3.15Å |
| 381 | P | 43.3 | Very low | 39.6 | Very low | 127 Ų | 127 | 156.4 Ų | 156.4 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 121.4 | -177.2 | -19.8 | 29.7 | 0 | 0 | 0 | 110.1 | R383 | P381-R383 PolarHBondContact O-N 3.3Å; P381-R383 VanDerWaalsContact O-N 3.13Å |
| 382 | K | 43.3 | Very low | 39.5 | Very low | 202 Ų | 202 | 154.6 Ų | 154.6 | 88% | 0.878 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 121.5 | 169.2 | -75.3 | -177.5 | 176.8 | 179.1 | 0 | 107.2 | S380 S384 | S380-K382 PolarHBondContact O-N 3.3Å; S380-K382 VanDerWaalsContact O-N 3.15Å; K382-S384 PolarHBondContact O-N 3.1Å |
| 383 | R | 37.6 | Very low | 39.5 | Very low | 247 Ų | 247 | 157.1 Ų | 157.1 | 93% | 0.932 | 82% | 0.824 | S | S | * | * | | | trans | -48.1 | 100.5 | 173.2 | -113.9 | 178.2 | 175.9 | 170.7 | -1.3 | 108.1 | P381 V385 | P381-R383 PolarHBondContact O-N 3.3Å; P381-R383 VanDerWaalsContact O-N 3.13Å; R383-V385 PolarHBondContact O-N 3.02Å |
| 384 | S | 44 | Very low | 39.1 | Very low | 110 Ų | 110 | 155.6 Ų | 155.6 | 77% | 0.769 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 118.4 | 172.5 | 55.2 | 0 | 0 | 0 | 0 | 107.2 | K382 K386 | K382-S384 PolarHBondContact O-N 3.1Å; S384-K386 PolarHBondContact O-N 3.14Å |
| 385 | V | 41.1 | Very low | 38.9 | Very low | 136 Ų | 136 | 155.2 Ų | 155.2 | 82% | 0.824 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 131.3 | 171.7 | 176.8 | 0 | 0 | 0 | 0 | 108.3 | R383 | R383-V385 PolarHBondContact O-N 3.02Š|
| 386 | K | 38 | Very low | 38.5 | Very low | 188 Ų | 188 | 151.9 Ų | 151.9 | 82% | 0.817 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -49.4 | 131.9 | 178.1 | -79.1 | 179.9 | 175.5 | 178.6 | 0 | 109.6 | S384 K388 | S384-K386 PolarHBondContact O-N 3.14Å; K386-K388 PolarHBondContact O-N 3.21Å |
| 387 | P | 41.8 | Very low | 38.4 | Very low | 116 Ų | 116 | 151.1 Ų | 151.1 | 75% | 0.753 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 124.5 | 177.8 | -16.2 | 27.6 | 0 | 0 | 0 | 109.2 | F389 | P387-F389 PolarHBondContact O-N 3.4Š|
| 388 | K | 39.9 | Very low | 38.1 | Very low | 204 Ų | 204 | 153.3 Ų | 153.3 | 89% | 0.887 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 125.2 | 161.8 | -78.9 | -178.6 | 175 | -179.4 | 0 | 106.7 | K386 G390 | K386-K388 PolarHBondContact O-N 3.21Å; K388-G390 VanDerWaalsContact C-N 3.28Å; K388-G390 PolarHBondContact O-N 2.94Å |
| 389 | F | 39.1 | Very low | 37.7 | Very low | 215 Ų | 215 | 155 Ų | 155 | 94% | 0.943 | 83% | 0.829 | S | S | * | * | | | trans | -60 | 93.3 | 171 | -84.3 | -89.4 | 0 | 0 | 0 | 108.5 | P387 | P387-F389 PolarHBondContact O-N 3.4Š|
| 390 | G | 31.6 | Very low | 37.4 | Very low | 68 Ų | 68 | 159.2 Ų | 159.2 | 70% | 0.701 | 83% | 0.832 | S | S | * | * | | | trans | -73.6 | 126.3 | 167.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | K388 | K388-G390 VanDerWaalsContact C-N 3.28Å; K388-G390 PolarHBondContact O-N 2.94Å |
| 391 | T | 37.9 | Very low | 37.3 | Very low | 133 Ų | 133 | 158.7 Ų | 158.7 | 82% | 0.816 | 83% | 0.826 | S | S | * | * | | | trans | -51 | 142.8 | 174.3 | 4.4 | 0 | 0 | 0 | 0 | 111.1 | L393 | T391-L393 PolarHBondContact O-N 2.92Š|
| 392 | P | 35.6 | Very low | 36.8 | Very low | 120 Ų | 120 | 162.6 Ų | 162.6 | 78% | 0.779 | 83% | 0.831 | S | S | * | * | | | trans | -70 | 106.5 | -169.7 | 27.9 | -32.9 | 0 | 0 | 0 | 110.7 | N394 | P392-N394 PolarHBondContact O-N 3.3Š|
| 393 | L | 33.9 | Very low | 36.5 | Very low | 174 Ų | 174 | 161.3 Ų | 161.3 | 91% | 0.911 | 83% | 0.825 | S | S | * | * | | | trans | -82.6 | 102.8 | 168.5 | -152.5 | 80.7 | 0 | 0 | 0 | 108.6 | T391 K395 | T391-L393 PolarHBondContact O-N 2.92Å; L393-K395 PolarHBondContact O-N 2.95Å |
| 394 | N | 30.9 | Very low | 36.2 | Very low | 146 Ų | 146 | 158.2 Ų | 158.2 | 78% | 0.781 | 82% | 0.822 | S | S | * | * | | | trans | -53.8 | 118.5 | 162.5 | -91.9 | -48.4 | 0 | 0 | 0 | 110.2 | P392 | P392-N394 PolarHBondContact O-N 3.3Š|
| 395 | K | 35.7 | Very low | 35.9 | Very low | 192 Ų | 192 | 162.5 Ų | 162.5 | 84% | 0.835 | 83% | 0.826 | S | S | * | * | | | | 158.6 | 120.4 | 128.9 | -85.7 | 167.2 | -176.8 | -178.2 | 0 | 111.2 | L393 | L393-K395 PolarHBondContact O-N 2.95Š|
| 396 | S | 31.2 | Very low | 35.5 | Very low | 115 Ų | 115 | 161.3 Ų | 161.3 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | | | trans | 12.9 | 103.2 | 146.8 | 58.2 | 0 | 0 | 0 | 0 | 118.5 | | |
| 397 | E | 36.9 | Very low | 35.2 | Very low | 189 Ų | 189 | 161.6 Ų | 161.6 | 88% | 0.883 | 83% | 0.828 | S | S | * | * | | | trans | -142.9 | 120.1 | 148.4 | -114.3 | 175.1 | -173.1 | 0 | 0 | 109.5 | I399 | E397-I399 PolarHBondContact O-N 3.29Š|
| 398 | Q | 34.7 | Very low | 34.9 | Very low | 198 Ų | 198 | 162.6 Ų | 162.6 | 93% | 0.925 | 83% | 0.826 | S | S | * | * | | | trans | -71.3 | 123.6 | -175.5 | -113.2 | 172.2 | 5.7 | 0 | 0 | 110.5 | K400 | Q398-K400 PolarHBondContact O-N 2.88Š|
| 399 | I | 33.7 | Very low | 34.5 | Very low | 158 Ų | 158 | 157.1 Ų | 157.1 | 81% | 0.81 | 82% | 0.819 | S | S | * | * | | | trans | -69.2 | 116.1 | 174.3 | -60.9 | 164.2 | 0 | 0 | 0 | 109.3 | E397 | E397-I399 PolarHBondContact O-N 3.29Š|
| 400 | K | 34.5 | Very low | 34.2 | Very low | 203 Ų | 203 | 156.3 Ų | 156.3 | 88% | 0.883 | 82% | 0.815 | S | S | * | * | | | trans | -102.3 | 113.9 | 158.3 | -89.5 | -177.2 | 178.9 | 175.5 | 0 | 108.9 | Q398 F402 | Q398-K400 PolarHBondContact O-N 2.88Å; K400-F402 PolarHBondContact O-N 3.42Å |
| 401 | P | 37.9 | Very low | 34.3 | Very low | 92 Ų | 92 | 159.8 Ų | 159.8 | 60% | 0.597 | 82% | 0.822 | S | S | * | * | | | trans | -71.7 | 124 | 172.3 | 26.2 | -29 | 0 | 0 | 0 | 110.4 | F403 | P401-F403 HydrophobicContact CG-CE2 4.28Š|
| 402 | F | 34.3 | Very low | 34 | Very low | 208 Ų | 208 | 158 Ų | 158 | 91% | 0.912 | 82% | 0.815 | S | S | * | * | | | trans | -78.6 | 115.4 | 173.7 | -142.6 | -100.4 | 0 | 0 | 0 | 108.2 | K400 | K400-F402 PolarHBondContact O-N 3.42Š|
| 403 | F | 35.9 | Very low | 34 | Very low | 175 Ų | 175 | 161.4 Ų | 161.4 | 77% | 0.768 | 82% | 0.823 | S | S | * | * | | | trans | -88 | 105.2 | 174.9 | -73.6 | -86.3 | 0 | 0 | 0 | 109.1 | P401 K405 | P401-F403 HydrophobicContact CG-CE2 4.28Å; F403-K405 PolarHBondContact O-N 3.21Å |
| 404 | E | 32 | Very low | 34 | Very low | 183 Ų | 183 | 160 Ų | 160 | 86% | 0.855 | 82% | 0.816 | S | S | * | * | | | trans | -74.7 | 106.8 | 171.9 | -163 | 169.7 | -168.9 | 0 | 0 | 109.2 | S406 | E404-S406 PolarHBondContact O-N 2.82Š|
| 405 | K | 36.6 | Very low | 33.8 | Very low | 200 Ų | 200 | 160.1 Ų | 160.1 | 87% | 0.87 | 82% | 0.817 | S | S | * | * | | | trans | -75.2 | 111.3 | 177.9 | -69.6 | 175.7 | 177.6 | 177.4 | 0 | 109 | F403 | F403-K405 PolarHBondContact O-N 3.21Š|
| 406 | S | 33.8 | Very low | 33.6 | Very low | 110 Ų | 110 | 156.6 Ų | 156.6 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | | | trans | -91.1 | 108.7 | 163.1 | 28.3 | 0 | 0 | 0 | 0 | 109.1 | E404 | E404-S406 PolarHBondContact O-N 2.82Š|
| 407 | E | 31.1 | Very low | 33.5 | Very low | 195 Ų | 195 | 158.3 Ų | 158.3 | 91% | 0.911 | 81% | 0.812 | S | S | * | * | | | trans | -78.1 | 113.8 | 178 | -166.4 | 170.3 | -150.1 | 0 | 0 | 108.8 | | |
| 408 | I | 35.3 | Very low | 33.4 | Very low | 137 Ų | 137 | 157.2 Ų | 157.2 | 70% | 0.703 | 81% | 0.807 | S | S | * | * | | | trans | -109.9 | 110.8 | 170.8 | -60.2 | 171.3 | 0 | 0 | 0 | 106.9 | F410 | I408-F410 WeakPolarHBondContact O-CD2 3.24Å; I408-F410 PolarHBondContact O-N 2.93Å |
| 409 | A | 32.8 | Very low | 33.1 | Very low | 89 Ų | 89 | 154.9 Ų | 154.9 | 74% | 0.736 | 80% | 0.801 | S | S | * | * | | | trans | -64 | 111.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | V411 | A409-V411 PolarHBondContact O-N 3.37Š|
| 410 | F | 32 | Very low | 33.1 | Very low | 198 Ų | 198 | 153.4 Ų | 153.4 | 87% | 0.868 | 80% | 0.799 | S | S | * | * | | | trans | -84.4 | 104.1 | 166.8 | -77.6 | -90.1 | 0 | 0 | 0 | 108.7 | I408 | I408-F410 WeakPolarHBondContact O-CD2 3.24Å; I408-F410 PolarHBondContact O-N 2.93Å |
| 411 | V | 33.5 | Very low | 32.8 | Very low | 140 Ų | 140 | 150.6 Ų | 150.6 | 85% | 0.848 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 122.6 | 170.3 | 179.2 | 0 | 0 | 0 | 0 | 108.8 | A409 M413 | A409-V411 PolarHBondContact O-N 3.37Å; V411-M413 PolarHBondContact O-N 3.47Å |
| 412 | S | 32.4 | Very low | 32.5 | Very low | 95 Ų | 95 | 155.5 Ų | 155.5 | 66% | 0.664 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 120.6 | -178.9 | 161.9 | 0 | 0 | 0 | 0 | 112.2 | | |
| 413 | M | 35.9 | Very low | 32.3 | Very low | 193 Ų | 193 | 153.9 Ų | 153.9 | 95% | 0.951 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -92.6 | 123.9 | 165 | -118.5 | -177.7 | 159.1 | 0 | 0 | 109.5 | V411 | V411-M413 PolarHBondContact O-N 3.47Š|
| 414 | N | 32.8 | Very low | 31.8 | Very low | 143 Ų | 143 | 152.7 Ų | 152.7 | 77% | 0.765 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -63 | 137.5 | -165.5 | -70.7 | -34 | 0 | 0 | 0 | 114.7 | | |
| 415 | N | 27.2 | Very low | 31.9 | Very low | 149 Ų | 149 | 151.3 Ų | 151.3 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 131.3 | 159.1 | -79 | -37.8 | 0 | 0 | 0 | 110.5 | | |
| 416 | T | 30.9 | Very low | 31.5 | Very low | 119 Ų | 119 | 146.5 Ų | 146.5 | 73% | 0.73 | 80% | 0.795 | S | S | * | * | | | trans | -133.2 | 95.1 | 153.6 | -56.4 | 0 | 0 | 0 | 0 | 108.1 | Q418 | T416-Q418 HydrophobicContact CG2-CG 4.07Å; T416-Q418 PolarHBondContact O-N 3.29Å |
| 417 | N | 29.9 | Very low | 31.5 | Very low | 150 Ų | 150 | 146.3 Ų | 146.3 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | | | trans | -68.3 | 114 | 164.1 | -79.7 | -33.5 | 0 | 0 | 0 | 108.3 | | |
| 418 | Q | 34.1 | Very low | 31.4 | Very low | 167 Ų | 167 | 142.5 Ų | 142.5 | 78% | 0.78 | 79% | 0.789 | S | S | * | * | | | trans | -125.5 | 102.5 | 163.3 | -79.4 | -92.6 | -13.9 | 0 | 0 | 106.7 | T416 | T416-Q418 HydrophobicContact CG2-CG 4.07Å; T416-Q418 PolarHBondContact O-N 3.29Å |
| 419 | N | 28.5 | Very low | 31.1 | Very low | 149 Ų | 149 | 139 Ų | 139 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | | | trans | -108.1 | 106.7 | -177.9 | -164.1 | 16.7 | 0 | 0 | 0 | 105.9 | | |
| 420 | T | 34.7 | Very low | 31.1 | Very low | 126 Ų | 126 | 142.3 Ų | 142.3 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | | | trans | -150 | 103 | 164.8 | 29.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 421 | N | 27.7 | Very low | 31.1 | Very low | 145 Ų | 145 | 141.1 Ų | 141.1 | 78% | 0.775 | 80% | 0.795 | S | S | * | * | | | trans | -59.7 | 136.7 | 153.8 | -82.6 | -47.8 | 0 | 0 | 0 | 109.7 | | |
| 422 | K | 32.1 | Very low | 31.1 | Very low | 195 Ų | 195 | 138.8 Ų | 138.8 | 85% | 0.848 | 79% | 0.785 | S | S | * | * | | | | 167.1 | 135.1 | 123.8 | -91.3 | 167.8 | -175.7 | -177.1 | 0 | 113.3 | | |
| 423 | H | 28.5 | Very low | 31.1 | Very low | 174 Ų | 174 | 144.3 Ų | 144.3 | 81% | 0.806 | 80% | 0.797 | S | S | * | * | | | trans | 77.1 | 115.2 | 143.2 | -106.1 | -81.9 | 0 | 0 | 0 | 122.6 | | |
| 424 | I | 26.9 | Very low | 31.1 | Very low | 149 Ų | 149 | 142.6 Ų | 142.6 | 76% | 0.764 | 79% | 0.791 | S | S | * | * | | | trans | -49.2 | 127.7 | 156.7 | -60.9 | 153.7 | 0 | 0 | 0 | 111.5 | | |
| 425 | I | 32.8 | Very low | 31 | Very low | 154 Ų | 154 | 143.8 Ų | 143.8 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | | | trans | -142.9 | 116 | 139.7 | -58.5 | -176.1 | 0 | 0 | 0 | 107.5 | | |
| 426 | A | 29.4 | Very low | 31.2 | Very low | 99 Ų | 99 | 146.4 Ų | 146.4 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | | | trans | -80 | 118.4 | 162.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 427 | S | 32.9 | Very low | 31.4 | Very low | 106 Ų | 106 | 147.6 Ų | 147.6 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | | | trans | -144.9 | 121.4 | 157.7 | -174 | 0 | 0 | 0 | 0 | 109.2 | | |
| 428 | S | 29 | Very low | 31.5 | Very low | 115 Ų | 115 | 145.2 Ų | 145.2 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | | | trans | -55.4 | 150.5 | 167 | 49 | 0 | 0 | 0 | 0 | 113.3 | | |
| 429 | G | 29.4 | Very low | 31.7 | Very low | 65 Ų | 65 | 143.3 Ų | 143.3 | 67% | 0.67 | 80% | 0.797 | S | S | * | * | | | trans | 106 | 98 | 150.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 430 | N | 32.9 | Very low | 31.9 | Very low | 157 Ų | 157 | 141.5 Ų | 141.5 | 84% | 0.84 | 80% | 0.796 | S | S | * | * | | | | 169.1 | 124 | 105.3 | -89.8 | -10 | 0 | 0 | 0 | 110.3 | S432 | N430-S432 PolarHBondContact O-N 3.17Š|
| 431 | D | 31.9 | Very low | 31.6 | Very low | 173 Ų | 173 | 143.6 Ų | 143.6 | 93% | 0.925 | 80% | 0.797 | S | S | * | * | | | trans | -59.7 | 112.5 | 157.9 | -66 | -51.4 | 0 | 0 | 0 | 109 | | |
| 432 | S | 34.3 | Very low | 32 | Very low | 92 Ų | 92 | 143.1 Ų | 143.1 | 64% | 0.643 | 80% | 0.799 | S | S | * | * | | | trans | -138 | 104.5 | 160.6 | 68.1 | 0 | 0 | 0 | 0 | 109.8 | N430 L434 | N430-S432 PolarHBondContact O-N 3.17Å; S432-L434 PolarHBondContact O-N 3.5Å |
| 433 | K | 32 | Very low | 32 | Very low | 210 Ų | 210 | 141.7 Ų | 141.7 | 91% | 0.913 | 80% | 0.796 | S | S | * | * | | | trans | -44.6 | 117.7 | 157 | -73.6 | 172 | 173 | 178.2 | 0 | 109.3 | | |
| 434 | L | 36.5 | Very low | 32.3 | Very low | 158 Ų | 158 | 140.5 Ų | 140.5 | 83% | 0.827 | 80% | 0.795 | S | S | * | * | | | trans | -127.4 | 103.8 | 155.3 | -81.9 | 169.4 | 0 | 0 | 0 | 107.6 | S432 | S432-L434 PolarHBondContact O-N 3.5Š|
| 435 | E | 29.2 | Very low | 32.6 | Very low | 168 Ų | 168 | 142.8 Ų | 142.8 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | | | trans | -53.8 | 172.2 | 150.7 | -79.6 | 172.7 | 128.2 | 0 | 0 | 110.7 | | |
| 436 | Y | 32.3 | Very low | 32.4 | Very low | 203 Ų | 203 | 142.1 Ų | 142.1 | 80% | 0.796 | 80% | 0.797 | S | S | * | * | | | trans | 96 | 95.3 | 174.4 | -69.2 | -92.3 | 0 | 0 | 0 | 115.7 | | |
| 437 | N | 35.7 | Very low | 32.7 | Very low | 145 Ų | 145 | 143.5 Ų | 143.5 | 78% | 0.775 | 80% | 0.798 | S | S | * | * | | | | 179 | 116.4 | 87.5 | -84.5 | -45.8 | 0 | 0 | 0 | 109.9 | | |
| 438 | A | 31.2 | Very low | 32.8 | Very low | 100 Ų | 100 | 142.9 Ų | 142.9 | 83% | 0.826 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 134.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 439 | P | 37.9 | Very low | 33 | Very low | 126 Ų | 126 | 147 Ų | 147 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 135.4 | 156.3 | -2.9 | 21.6 | 0 | 0 | 0 | 110.1 | | |
| 440 | S | 31.8 | Very low | 33 | Very low | 112 Ų | 112 | 150.6 Ų | 150.6 | 78% | 0.783 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -46.3 | 138.6 | 179.2 | 53.3 | 0 | 0 | 0 | 0 | 117.3 | | |
| 441 | Q | 30.4 | Very low | 33.1 | Very low | 169 Ų | 169 | 152 Ų | 152 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | | | trans | 2.1 | 123.1 | 141.3 | -62.3 | -172.3 | -13.2 | 0 | 0 | 117.9 | | |
| 442 | V | 35.8 | Very low | 33.3 | Very low | 136 Ų | 136 | 148.2 Ų | 148.2 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | | | | -134.8 | 112.4 | 129.4 | 178 | 0 | 0 | 0 | 0 | 107.5 | | |
| 443 | E | 31.5 | Very low | 33.3 | Very low | 165 Ų | 165 | 150.7 Ų | 150.7 | 77% | 0.771 | 79% | 0.79 | S | S | * | * | | | trans | -57.8 | 128 | 170.7 | -67.1 | 169.8 | 121.8 | 0 | 0 | 110.7 | | |
| 444 | N | 35.6 | Very low | 33.3 | Very low | 149 Ų | 149 | 147.2 Ų | 147.2 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | | | trans | -140.3 | 93.1 | 148.1 | -92.1 | -39.4 | 0 | 0 | 0 | 108.9 | | |
| 445 | K | 31.6 | Very low | 33 | Very low | 196 Ų | 196 | 145.7 Ų | 145.7 | 85% | 0.852 | 78% | 0.779 | S | S | * | * | | | trans | 34.6 | 105.6 | 143.4 | -61.6 | -174.7 | 178.7 | -176.3 | 0 | 118.1 | | |
| 446 | L | 28.8 | Very low | 33.4 | Very low | 141 Ų | 141 | 144.5 Ų | 144.5 | 74% | 0.738 | 78% | 0.777 | S | S | * | * | | | trans | -58.8 | 150.7 | 145.1 | -86.4 | 128 | 0 | 0 | 0 | 110.9 | V448 | L446-V448 HydrophobicContact CD2-CB 3.68Å; L446-V448 HydrophobicContact CD2-CG2 3.22Å |
| 447 | P | 37.2 | Very low | 33.5 | Very low | 128 Ų | 128 | 141.4 Ų | 141.4 | 83% | 0.831 | 77% | 0.773 | S | S | * | * | | | | -129.3 | 127.7 | 91 | 19 | -0.1 | 0 | 0 | 0 | 112.7 | | |
| 448 | V | 33.7 | Very low | 33.5 | Very low | 92 Ų | 92 | 140.4 Ų | 140.4 | 56% | 0.558 | 77% | 0.766 | S | S | * | * | | | trans | -80.1 | 123.9 | 162.7 | 151 | 0 | 0 | 0 | 0 | 107.5 | L446 L450 | L446-V448 HydrophobicContact CD2-CB 3.68Å; L446-V448 HydrophobicContact CD2-CG2 3.22Å; V448-L450 HydrophobicContact CG1-CB 3.93Å; V448-L450 HydrophobicContact CG1-CD1 3.75Å; V448-L450 HydrophobicContact CG1-CG 3.67Å |
| 449 | E | 33.3 | Very low | 33.6 | Very low | 201 Ų | 201 | 143.9 Ų | 143.9 | 94% | 0.939 | 77% | 0.765 | S | S | * | * | | | trans | -99.6 | 96.8 | 152.4 | -86.4 | -170.8 | 152.5 | 0 | 0 | 108 | | |
| 450 | L | 29.6 | Very low | 33.5 | Very low | 142 Ų | 142 | 146.4 Ų | 146.4 | 74% | 0.743 | 77% | 0.766 | S | S | * | * | | | trans | -89.1 | 113.6 | 158.4 | -91.7 | 161.9 | 0 | 0 | 0 | 106.8 | V448 | V448-L450 HydrophobicContact CG1-CB 3.93Å; V448-L450 HydrophobicContact CG1-CD1 3.75Å; V448-L450 HydrophobicContact CG1-CG 3.67Å |
| 451 | K | 34.5 | Very low | 33.5 | Very low | 187 Ų | 187 | 148 Ų | 148 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | | | trans | -146.1 | 89.9 | 148.4 | -76.8 | -163.1 | 177.2 | 174.6 | 0 | 109.7 | N453 | K451-N453 PolarHBondContact O-N 3.28Š|
| 452 | S | 35.5 | Very low | 33.5 | Very low | 93 Ų | 93 | 147.4 Ų | 147.4 | 65% | 0.65 | 77% | 0.767 | S | S | * | * | | | trans | -62.1 | 112.4 | 147.1 | 45.7 | 0 | 0 | 0 | 0 | 107.1 | D454 | S452-D454 PolarHBondContact O-N 3.42Š|
| 453 | N | 35.4 | Very low | 33.4 | Very low | 143 Ų | 143 | 148.6 Ų | 148.6 | 77% | 0.765 | 77% | 0.769 | S | S | * | * | | | trans | -82.8 | 101.9 | 165.4 | -73.1 | -24.1 | 0 | 0 | 0 | 106.6 | K451 | K451-N453 PolarHBondContact O-N 3.28Š|
| 454 | D | 31.9 | Very low | 33.3 | Very low | 137 Ų | 137 | 145.5 Ų | 145.5 | 73% | 0.733 | 76% | 0.761 | S | S | * | * | | | trans | -51.3 | 138.3 | 167.9 | -71.4 | -40.6 | 0 | 0 | 0 | 110.1 | S452 I456 | S452-D454 PolarHBondContact O-N 3.42Å; D454-I456 PolarHBondContact O-N 3.39Å |
| 455 | T | 30.7 | Very low | 33 | Very low | 126 Ų | 126 | 143.7 Ų | 143.7 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | | | trans | -62.1 | 102.7 | 174.5 | -49.5 | 0 | 0 | 0 | 0 | 108.7 | I457 | T455-I457 HydrophobicContact CG2-CG1 3.98Å; T455-I457 PolarHBondContact O-N 2.81Å; T455-I457 VanDerWaalsContact O-N 3.1Å |
| 456 | I | 37.5 | Very low | 32.9 | Very low | 143 Ų | 143 | 141.3 Ų | 141.3 | 73% | 0.733 | 76% | 0.755 | S | S | * | * | | | trans | -76.3 | 96.5 | 166.4 | -52.5 | 179 | 0 | 0 | 0 | 106.1 | D454 I458 | D454-I456 PolarHBondContact O-N 3.39Å; I456-I458 HydrophobicContact CB-CG1 4.48Å; I456-I458 HydrophobicContact CG2-CD1 4.14Å; I456-I458 HydrophobicContact CG2-CG1 3.48Å; I456-I458 VanDerWaalsContact CG2-CG1 3.48Å; I456-I458 PolarHBondContact O-N 3.1Å |
| 457 | I | 33.7 | Very low | 33.2 | Very low | 139 Ų | 139 | 143.5 Ų | 143.5 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | | | trans | -73.5 | 99.3 | 162.9 | -57.9 | 174.3 | 0 | 0 | 0 | 104.9 | T455 E459 | T455-I457 HydrophobicContact CG2-CG1 3.98Å; T455-I457 PolarHBondContact O-N 2.81Å; T455-I457 VanDerWaalsContact O-N 3.1Å; I457-E459 HydrophobicContact CG2-CG 4.49Å; I457-E459 PolarHBondContact O-N 2.79Å |
| 458 | I | 36.5 | Very low | 32.9 | Very low | 124 Ų | 124 | 142.8 Ų | 142.8 | 64% | 0.636 | 76% | 0.757 | S | S | * | * | | | trans | -84.1 | 102.4 | 169 | -55.9 | 179.8 | 0 | 0 | 0 | 105.8 | I456 E460 | I456-I458 HydrophobicContact CB-CG1 4.48Å; I456-I458 HydrophobicContact CG2-CD1 4.14Å; I456-I458 HydrophobicContact CG2-CG1 3.48Å; I456-I458 VanDerWaalsContact CG2-CG1 3.48Å; I456-I458 PolarHBondContact O-N 3.1Å; I458-E460 VanDerWaalsContact C-N 3.31Å; I458-E460 HydrophobicContact CG2-CB 4.31Å; I458-E460 PolarHBondContact O-N 3.12Å; I458-E460 VanDerWaalsContact O-N 3.1Å |
| 459 | E | 33 | Very low | 32.7 | Very low | 173 Ų | 173 | 146.4 Ų | 146.4 | 81% | 0.808 | 77% | 0.771 | S | S | * | * | | | trans | -66.1 | 94.1 | 159.6 | -68.6 | 179 | 161.3 | 0 | 0 | 106.8 | I457 | I457-E459 HydrophobicContact CG2-CG 4.49Å; I457-E459 PolarHBondContact O-N 2.79Å |
| 460 | E | 36.8 | Very low | 32.7 | Very low | 179 Ų | 179 | 141.9 Ų | 141.9 | 84% | 0.836 | 76% | 0.762 | S | S | * | * | | | trans | -93 | 103.9 | 172 | -139.2 | 169.3 | -161.7 | 0 | 0 | 108.2 | I458 | I458-E460 VanDerWaalsContact C-N 3.31Å; I458-E460 HydrophobicContact CG2-CB 4.31Å; I458-E460 PolarHBondContact O-N 3.12Å; I458-E460 VanDerWaalsContact O-N 3.1Å |
| 461 | D | 30.8 | Very low | 32.7 | Very low | 145 Ų | 145 | 143.9 Ų | 143.9 | 78% | 0.775 | 77% | 0.765 | S | S | * | * | | | trans | -51.7 | 137.7 | -177.7 | -79.6 | -44.1 | 0 | 0 | 0 | 113.1 | N463 | D461-N463 PolarHBondContact O-N 3.45Š|
| 462 | L | 31.1 | Very low | 32.8 | Very low | 157 Ų | 157 | 141.1 Ų | 141.1 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | | | trans | -50.9 | 93.1 | 164.9 | -93.7 | 111.6 | 0 | 0 | 0 | 111.1 | V464 | L462-V464 VanDerWaalsContact C-N 3.35Å; L462-V464 HydrophobicContact CD2-CG2 4.04Å; L462-V464 PolarHBondContact O-N 3.31Å |
| 463 | N | 33 | Very low | 32.5 | Very low | 161 Ų | 161 | 143.8 Ų | 143.8 | 86% | 0.861 | 77% | 0.774 | S | S | * | * | | | trans | -84.8 | 86.6 | 158.9 | -98.8 | -27.9 | 0 | 0 | 0 | 109.3 | D461 C465 | D461-N463 PolarHBondContact O-N 3.45Å; N463-C465 VanDerWaalsContact C-N 3.29Å; N463-C465 PolarHBondContact O-N 3.31Å |
| 464 | V | 30.6 | Very low | 32.3 | Very low | 100 Ų | 100 | 141 Ų | 141 | 61% | 0.606 | 77% | 0.767 | S | S | * | * | | | trans | -63.1 | 90.1 | 163.3 | -179.9 | 0 | 0 | 0 | 0 | 107.9 | L462 N466 | L462-V464 VanDerWaalsContact C-N 3.35Å; L462-V464 HydrophobicContact CD2-CG2 4.04Å; L462-V464 PolarHBondContact O-N 3.31Å; V464-N466 PolarHBondContact O-N 3.24Å; V464-N466 VanDerWaalsContact O-N 3.12Å |
| 465 | C | 29.2 | Very low | 32.4 | Very low | 110 Ų | 110 | 143.3 Ų | 143.3 | 74% | 0.743 | 77% | 0.77 | S | S | * | * | | | trans | -82.7 | 87.4 | 171.5 | -157.6 | 0 | 0 | 0 | 0 | 109.2 | N463 K467 | N463-C465 VanDerWaalsContact C-N 3.29Å; N463-C465 PolarHBondContact O-N 3.31Å; C465-K467 PolarHBondContact O-N 3.36Å |
| 466 | N | 28.5 | Very low | 32.4 | Very low | 147 Ų | 147 | 145.9 Ų | 145.9 | 79% | 0.786 | 77% | 0.771 | S | S | * | * | | | trans | -69.7 | 98.6 | 161.9 | -80.6 | -27 | 0 | 0 | 0 | 109.2 | V464 | V464-N466 PolarHBondContact O-N 3.24Å; V464-N466 VanDerWaalsContact O-N 3.12Å |
| 467 | K | 34.8 | Very low | 32.3 | Very low | 186 Ų | 186 | 147.1 Ų | 147.1 | 81% | 0.809 | 78% | 0.779 | S | S | * | * | | | trans | -131.5 | 121.8 | 153.6 | -88.9 | 178.1 | 176 | 174.4 | 0 | 105.8 | C465 | C465-K467 PolarHBondContact O-N 3.36Š|
| 468 | S | 30.4 | Very low | 31.9 | Very low | 113 Ų | 113 | 149.3 Ų | 149.3 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | | | | 111 | 63.6 | 57.5 | 141.2 | 0 | 0 | 0 | 0 | 110.4 | S470 | S468-S470 PolarHBondContact O-N 3.19Š|
| 469 | I | 29.5 | Very low | 31.9 | Very low | 168 Ų | 168 | 148.3 Ų | 148.3 | 86% | 0.862 | 79% | 0.787 | S | S | * | * | | | trans | -51.7 | 113.1 | 174.8 | -62.1 | 160.1 | 0 | 0 | 0 | 108.8 | | |
| 470 | S | 33.2 | Very low | 31.8 | Very low | 106 Ų | 106 | 146.1 Ų | 146.1 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | | | trans | -126 | 107.7 | 165.3 | 64 | 0 | 0 | 0 | 0 | 109.4 | S468 | S468-S470 PolarHBondContact O-N 3.19Š|
| 471 | K | 31.3 | Very low | 31.7 | Very low | 185 Ų | 185 | 146 Ų | 146 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | | | trans | -51.9 | 129.9 | 161.5 | -69.5 | 171.9 | 172.3 | -179.7 | 0 | 109.6 | | |
| 472 | C | 35.4 | Very low | 31.9 | Very low | 129 Ų | 129 | 145.1 Ų | 145.1 | 87% | 0.872 | 78% | 0.779 | S | S | * | * | | | trans | -135.2 | 107.2 | 150.8 | -86.3 | 0 | 0 | 0 | 0 | 107.7 | | |
| 473 | D | 30.5 | Very low | 32 | Very low | 148 Ų | 148 | 144.2 Ų | 144.2 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | | | trans | -66.8 | 156.8 | 168.6 | -76.2 | -55 | 0 | 0 | 0 | 111.9 | | |
| 474 | S | 29.8 | Very low | 31.9 | Very low | 86 Ų | 86 | 144.1 Ų | 144.1 | 60% | 0.601 | 77% | 0.768 | S | S | * | * | | | trans | 75.2 | 114.4 | 149.4 | -164.2 | 0 | 0 | 0 | 0 | 117.5 | | |
| 475 | F | 34.7 | Very low | 31.9 | Very low | 184 Ų | 184 | 145.6 Ų | 145.6 | 81% | 0.807 | 78% | 0.778 | S | S | * | * | | | | -178.2 | 120.4 | 99.3 | -93.7 | -74.2 | 0 | 0 | 0 | 111.1 | | |
| 476 | K | 31 | Very low | 32.2 | Very low | 180 Ų | 180 | 146.6 Ų | 146.6 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | | | trans | 11.1 | 125.9 | 149.6 | -65.1 | 177.7 | 174.1 | -177.6 | 0 | 118.5 | | |
| 477 | N | 34.6 | Very low | 32.2 | Very low | 170 Ų | 170 | 143.1 Ų | 143.1 | 91% | 0.909 | 77% | 0.772 | S | S | * | * | | | | -172.6 | 101.9 | 121.4 | -86.8 | -18.5 | 0 | 0 | 0 | 110.3 | | |
| 478 | E | 25.9 | Very low | 32.2 | Very low | 185 Ų | 185 | 142 Ų | 142 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | | | trans | -113.9 | 163.1 | 155.8 | -134.8 | -160.1 | 150.7 | 0 | 0 | 105.2 | | |
| 479 | P | 35.9 | Very low | 32 | Very low | 102 Ų | 102 | 142.1 Ų | 142.1 | 66% | 0.662 | 77% | 0.771 | S | S | * | * | | | cis | -127.5 | 149.8 | -25.9 | 33.2 | -17.7 | 0 | 0 | 0 | 111.4 | | |
| 480 | V | 31.8 | Very low | 32 | Very low | 127 Ų | 127 | 138.2 Ų | 138.2 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | | | trans | -148.6 | 103.4 | 152.1 | -172.9 | 0 | 0 | 0 | 0 | 109 | I482 | V480-I482 HydrophobicContact CG1-CD1 4.49Å; V480-I482 HydrophobicContact CG1-CG1 3.72Å; V480-I482 PolarHBondContact O-N 3.02Å |
| 481 | E | 33.2 | Very low | 32 | Very low | 178 Ų | 178 | 141.1 Ų | 141.1 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | | | trans | -63.4 | 114 | 155.9 | -80.5 | -179.2 | 141.9 | 0 | 0 | 108.2 | | |
| 482 | I | 35.2 | Very low | 32 | Very low | 126 Ų | 126 | 138.9 Ų | 138.9 | 65% | 0.646 | 77% | 0.765 | S | S | * | * | | | trans | -100.3 | 91.3 | 166.1 | -57.5 | 177.9 | 0 | 0 | 0 | 106.1 | V480 E484 | V480-I482 HydrophobicContact CG1-CD1 4.49Å; V480-I482 HydrophobicContact CG1-CG1 3.72Å; V480-I482 PolarHBondContact O-N 3.02Å; I482-E484 VanDerWaalsContact C-N 3.32Å; I482-E484 HydrophobicContact CG2-CB 3.97Å; I482-E484 HydrophobicContact CG2-CG 3.76Å; I482-E484 PolarHBondContact O-N 3.34Å |
| 483 | I | 34.3 | Very low | 31.9 | Very low | 137 Ų | 137 | 138.7 Ų | 138.7 | 70% | 0.703 | 76% | 0.764 | S | S | * | * | | | trans | -87.1 | 82.9 | 159.9 | -56.5 | 174.3 | 0 | 0 | 0 | 105.8 | | |
| 484 | E | 30.1 | Very low | 31.9 | Very low | 159 Ų | 159 | 139.5 Ų | 139.5 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | | | trans | -94.1 | 91.6 | 165.7 | -88.3 | -174.5 | 167.8 | 0 | 0 | 109.1 | I482 T486 | I482-E484 VanDerWaalsContact C-N 3.32Å; I482-E484 HydrophobicContact CG2-CB 3.97Å; I482-E484 HydrophobicContact CG2-CG 3.76Å; I482-E484 PolarHBondContact O-N 3.34Å; E484-T486 PolarHBondContact O-N 2.91Å; E484-T486 VanDerWaalsContact O-N 3.12Å |
| 485 | T | 31.3 | Very low | 32.2 | Very low | 132 Ų | 132 | 142.3 Ų | 142.3 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | | | trans | -52 | 104.5 | 154.6 | 17 | 0 | 0 | 0 | 0 | 109.9 | | |
| 486 | T | 34 | Very low | 32.1 | Very low | 131 Ų | 131 | 138.3 Ų | 138.3 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | | | trans | -89.1 | 110.3 | 164.1 | -42.7 | 0 | 0 | 0 | 0 | 109.2 | E484 | E484-T486 PolarHBondContact O-N 2.91Å; E484-T486 VanDerWaalsContact O-N 3.12Å |
| 487 | A | 29.4 | Very low | 32.1 | Very low | 74 Ų | 74 | 137.7 Ų | 137.7 | 61% | 0.612 | 77% | 0.772 | S | S | * | * | | | trans | -73.5 | 115 | 174 | 0 | 0 | 0 | 0 | 0 | 111.5 | T489 | A487-T489 PolarHBondContact O-OG1 2.87Š|
| 488 | N | 34 | Very low | 32.2 | Very low | 161 Ų | 161 | 139.6 Ų | 139.6 | 86% | 0.861 | 77% | 0.772 | S | S | * | * | | | trans | -102.5 | 91.4 | 146.1 | -72.4 | -22.1 | 0 | 0 | 0 | 104.5 | | |
| 489 | T | 27.9 | Very low | 32.7 | Very low | 117 Ų | 117 | 136.8 Ų | 136.8 | 72% | 0.718 | 76% | 0.759 | S | S | * | * | | | | 63 | 101.9 | 71.3 | -46.8 | 0 | 0 | 0 | 0 | 112.7 | A487 | A487-T489 PolarHBondContact O-OG1 2.87Š|
| 490 | A | 28 | Very low | 32.7 | Very low | 85 Ų | 85 | 140 Ų | 140 | 70% | 0.702 | 77% | 0.771 | S | S | * | * | | | trans | 47.3 | 132 | 147.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 491 | I | 33.8 | Very low | 33 | Very low | 168 Ų | 168 | 141.7 Ų | 141.7 | 86% | 0.862 | 77% | 0.767 | S | S | * | * | | | | -147 | 138.3 | 59.1 | -74.3 | 162.2 | 0 | 0 | 0 | 110.7 | | |
| 492 | I | 31 | Very low | 33.3 | Very low | 138 Ų | 138 | 139.8 Ų | 139.8 | 71% | 0.708 | 77% | 0.768 | S | S | * | * | | | trans | -75.8 | 143.3 | 176.2 | -60.2 | 150.7 | 0 | 0 | 0 | 109.3 | E494 | I492-E494 HydrophobicContact CG2-CG 3.91Š|
| 493 | S | 33.9 | Very low | 33.2 | Very low | 124 Ų | 124 | 141.8 Ų | 141.8 | 87% | 0.867 | 78% | 0.78 | S | S | * | * | | | trans | -133.7 | 111.1 | 143.9 | -156.6 | 0 | 0 | 0 | 0 | 108.2 | | |
| 494 | E | 29.9 | Very low | 33.3 | Very low | 166 Ų | 166 | 140 Ų | 140 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | | | trans | -56.2 | 137.2 | 176.5 | -65.8 | 159.5 | 133.4 | 0 | 0 | 111.3 | I492 | I492-E494 HydrophobicContact CG2-CG 3.91Š|
| 495 | V | 36.9 | Very low | 33.3 | Very low | 145 Ų | 145 | 138.5 Ų | 138.5 | 88% | 0.879 | 78% | 0.781 | S | S | * | * | | | trans | -132 | 126.5 | 132 | -177.8 | 0 | 0 | 0 | 0 | 107 | | |
| 496 | S | 31.5 | Very low | 33.5 | Very low | 100 Ų | 100 | 139.3 Ų | 139.3 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | | | trans | -64.7 | 140.9 | -165.1 | 54.1 | 0 | 0 | 0 | 0 | 116.2 | | |
| 497 | E | 30.7 | Very low | 33.5 | Very low | 167 Ų | 167 | 138.2 Ų | 138.2 | 78% | 0.78 | 77% | 0.774 | S | S | * | * | | | trans | 6.5 | 129 | 141.2 | -68.6 | 172.7 | 155.8 | 0 | 0 | 119 | | |
| 498 | K | 38.1 | Very low | 33.7 | Very low | 209 Ų | 209 | 142.6 Ų | 142.6 | 91% | 0.909 | 79% | 0.786 | S | S | * | * | | | | -138.7 | 110.9 | 121.2 | -74.8 | -156.8 | 173.9 | -175.5 | 0 | 110.2 | | |
| 499 | E | 35.7 | Very low | 33.6 | Very low | 126 Ų | 126 | 142.6 Ų | 142.6 | 59% | 0.589 | 79% | 0.786 | S | S | * | * | | | trans | -56.3 | 139 | 159.2 | -75.5 | 177.8 | 114.8 | 0 | 0 | 110.1 | K501 | E499-K501 IonicContact OE1-NZ 3.68Å; E499-K501 PolarHBondContact OE1-NZ 3.09Å |
| 500 | D | 37 | Very low | 34 | Very low | 171 Ų | 171 | 145.9 Ų | 145.9 | 91% | 0.914 | 79% | 0.794 | S | S | * | * | | | trans | -132 | 106.3 | 142.7 | -96.8 | -34.8 | 0 | 0 | 0 | 107.5 | | |
| 501 | K | 36.4 | Very low | 34.2 | Very low | 162 Ų | 162 | 149.8 Ų | 149.8 | 70% | 0.704 | 80% | 0.797 | S | S | * | * | | | trans | -79.5 | 124.5 | 171.7 | -82.9 | 174.4 | 169.5 | 115.7 | 0 | 109 | E499 | E499-K501 IonicContact OE1-NZ 3.68Å; E499-K501 PolarHBondContact OE1-NZ 3.09Å |
| 502 | T | 40.6 | Very low | 34.4 | Very low | 138 Ų | 138 | 149.5 Ų | 149.5 | 85% | 0.847 | 80% | 0.797 | S | S | * | * | | | trans | -142.7 | 98.1 | 148.4 | 40.4 | 0 | 0 | 0 | 0 | 109.7 | S504 | T502-S504 PolarHBondContact O-N 2.81Š|
| 503 | D | 32.7 | Very low | 34.5 | Very low | 167 Ų | 167 | 152.9 Ų | 152.9 | 89% | 0.893 | 80% | 0.8 | S | S | * | * | | | trans | -66.5 | 118.3 | 160.3 | -86.7 | -40.9 | 0 | 0 | 0 | 108.9 | | |
| 504 | S | 35.7 | Very low | 34.5 | Very low | 99 Ų | 99 | 153.8 Ų | 153.8 | 69% | 0.692 | 80% | 0.796 | S | S | * | * | | | trans | -139.8 | 88.9 | 169.9 | 160.6 | 0 | 0 | 0 | 0 | 108.1 | T502 I506 | T502-S504 PolarHBondContact O-N 2.81Å; S504-I506 PolarHBondContact O-N 2.72Å |
| 505 | V | 31.9 | Very low | 34.5 | Very low | 129 Ų | 129 | 154.2 Ų | 154.2 | 78% | 0.782 | 80% | 0.802 | S | S | * | * | | | trans | -76.8 | 109.9 | 167.6 | 174.7 | 0 | 0 | 0 | 0 | 108.2 | | |
| 506 | I | 34.1 | Very low | 34.2 | Very low | 148 Ų | 148 | 152.6 Ų | 152.6 | 76% | 0.759 | 80% | 0.796 | S | S | * | * | | | trans | -139.8 | 114 | 154 | -58.5 | 178.2 | 0 | 0 | 0 | 107.3 | S504 | S504-I506 PolarHBondContact O-N 2.72Š|
| 507 | P | 33.5 | Very low | 34.2 | Very low | 108 Ų | 108 | 157.3 Ų | 157.3 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | | | trans | -98.8 | 123 | 163.4 | 32.7 | -22.2 | 0 | 0 | 0 | 109.6 | | |
| 508 | L | 34.6 | Very low | 34.3 | Very low | 166 Ų | 166 | 154.1 Ų | 154.1 | 87% | 0.869 | 80% | 0.801 | S | S | * | * | | | trans | -151.1 | 133.8 | 148.1 | -141.2 | 93.3 | 0 | 0 | 0 | 110.4 | E510 | L508-E510 PolarHBondContact O-N 2.91Š|
| 509 | N | 32.2 | Very low | 34.4 | Very low | 161 Ų | 161 | 150.3 Ų | 150.3 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | | | trans | -45.2 | 125.3 | 167 | -80.5 | -42.1 | 0 | 0 | 0 | 111.4 | | |
| 510 | E | 35.7 | Very low | 34.1 | Very low | 187 Ų | 187 | 152.6 Ų | 152.6 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | | | trans | -139.7 | 135.5 | 149.4 | -141.4 | 163.8 | -154.7 | 0 | 0 | 110.3 | L508 L512 | L508-E510 PolarHBondContact O-N 2.91Å; E510-L512 PolarHBondContact O-N 2.86Å |
| 511 | E | 32.2 | Very low | 33.8 | Very low | 167 Ų | 167 | 150 Ų | 150 | 78% | 0.78 | 80% | 0.801 | S | S | * | * | | | trans | -87.2 | 94.4 | -161.6 | -173.3 | 175.8 | -158.6 | 0 | 0 | 108.2 | | |
| 512 | L | 38.9 | Very low | 33.5 | Very low | 162 Ų | 162 | 148.4 Ų | 148.4 | 85% | 0.848 | 81% | 0.806 | S | S | * | * | | | trans | -115.7 | 76.3 | 170.6 | -68.6 | 178.4 | 0 | 0 | 0 | 109.9 | E510 | E510-L512 PolarHBondContact O-N 2.86Š|
| 513 | R | 31.6 | Very low | 33 | Very low | 208 Ų | 208 | 150.8 Ų | 150.8 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | | | trans | -60.7 | 142.9 | 147.9 | -65.9 | -173 | -177.6 | -165.9 | 1.9 | 107.7 | | |
| 514 | D | 34.1 | Very low | 32.9 | Very low | 144 Ų | 144 | 147.3 Ų | 147.3 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | | | trans | 94.9 | 28.5 | 162.3 | -50.4 | -23.5 | 0 | 0 | 0 | 119.9 | C516 | D514-C516 VanDerWaalsContact C-N 3.26Å; D514-C516 PolarHBondContact O-N 3.48Å |
| 515 | L | 31 | Very low | 32.6 | Very low | 174 Ų | 174 | 148.8 Ų | 148.8 | 91% | 0.911 | 80% | 0.804 | S | S | * | * | | | trans | -86.9 | 71.4 | 154.7 | -123.5 | 81.3 | 0 | 0 | 0 | 111.8 | K517 | L515-K517 PolarHBondContact O-N 2.89Š|
| 516 | C | 29.5 | Very low | 32.4 | Very low | 112 Ų | 112 | 146.7 Ų | 146.7 | 76% | 0.757 | 80% | 0.795 | S | S | * | * | | | trans | -60.6 | 108.2 | 151.1 | -75.8 | 0 | 0 | 0 | 0 | 108.8 | D514 | D514-C516 VanDerWaalsContact C-N 3.26Å; D514-C516 PolarHBondContact O-N 3.48Å |
| 517 | K | 32.9 | Very low | 32.2 | Very low | 198 Ų | 198 | 150.5 Ų | 150.5 | 86% | 0.861 | 80% | 0.8 | S | S | * | * | | | trans | -174.9 | 102.1 | 147.1 | -101.2 | 159.3 | -169.5 | -174.2 | 0 | 111.7 | L515 | L515-K517 PolarHBondContact O-N 2.89Š|
| 518 | S | 31.2 | Very low | 32 | Very low | 101 Ų | 101 | 153.6 Ų | 153.6 | 71% | 0.706 | 80% | 0.802 | S | S | * | * | | | trans | 33.8 | 116 | 139 | 173.7 | 0 | 0 | 0 | 0 | 119.4 | | |
| 519 | P | 40 | Very low | 31.9 | Very low | 128 Ų | 128 | 154.1 Ų | 154.1 | 83% | 0.831 | 81% | 0.805 | S | S | * | * | | | trans | -102.1 | 122.4 | 132.7 | 22.4 | -7.4 | 0 | 0 | 0 | 109.9 | C521 | P519-C521 PolarHBondContact O-N 2.87Š|
| 520 | E | 30.8 | Very low | 32 | Very low | 174 Ų | 174 | 153.4 Ų | 153.4 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | | | trans | -42.5 | 114 | 172.1 | -66 | 160.3 | 137 | 0 | 0 | 112.1 | T522 | E520-T522 PolarHBondContact O-N 2.93Š|
| 521 | C | 30.1 | Very low | 31.9 | Very low | 116 Ų | 116 | 149.7 Ų | 149.7 | 78% | 0.784 | 79% | 0.793 | S | S | * | * | | | trans | -88.7 | 98 | 164.9 | -164.4 | 0 | 0 | 0 | 0 | 108.1 | P519 K523 | P519-C521 PolarHBondContact O-N 2.87Å; C521-K523 VanDerWaalsContact C-N 3.33Å; C521-K523 PolarHBondContact O-N 3.4Å |
| 522 | T | 29.6 | Very low | 32.1 | Very low | 130 Ų | 130 | 149.5 Ų | 149.5 | 80% | 0.798 | 80% | 0.797 | S | S | * | * | | | trans | -54.8 | 85.8 | 176.3 | -38.7 | 0 | 0 | 0 | 0 | 111 | E520 A524 | E520-T522 PolarHBondContact O-N 2.93Å; T522-A524 PolarHBondContact O-N 3.33Å; T522-A524 VanDerWaalsContact O-N 3.15Å |
| 523 | K | 31.6 | Very low | 32 | Very low | 188 Ų | 188 | 148.9 Ų | 148.9 | 82% | 0.817 | 80% | 0.795 | S | S | * | * | | | trans | -74.6 | 105.2 | 169.5 | -79.6 | -176.1 | 179.6 | 176.5 | 0 | 108.4 | C521 T525 | C521-K523 VanDerWaalsContact C-N 3.33Å; C521-K523 PolarHBondContact O-N 3.4Å; K523-T525 PolarHBondContact O-N 3.34Å; K523-T525 VanDerWaalsContact O-N 3.07Å |
| 524 | A | 30.4 | Very low | 32 | Very low | 93 Ų | 93 | 146.9 Ų | 146.9 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | | | trans | -44.7 | 112.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111 | T522 S526 | T522-A524 PolarHBondContact O-N 3.33Å; T522-A524 VanDerWaalsContact O-N 3.15Å; A524-S526 VanDerWaalsContact C-N 3.28Å; A524-S526 PolarHBondContact O-N 2.73Å |
| 525 | T | 28.1 | Very low | 32 | Very low | 130 Ų | 130 | 147.2 Ų | 147.2 | 80% | 0.798 | 80% | 0.795 | S | S | * | * | | | trans | -67.9 | 85.1 | 175.8 | -38.4 | 0 | 0 | 0 | 0 | 109.2 | K523 R527 | K523-T525 PolarHBondContact O-N 3.34Å; K523-T525 VanDerWaalsContact O-N 3.07Å; T525-R527 PolarHBondContact O-N 3.48Å |
| 526 | S | 28.7 | Very low | 31.9 | Very low | 85 Ų | 85 | 143.8 Ų | 143.8 | 59% | 0.594 | 79% | 0.785 | S | S | * | * | | | trans | -69.4 | 99.6 | 167.5 | 170.3 | 0 | 0 | 0 | 0 | 108.3 | A524 F528 | A524-S526 VanDerWaalsContact C-N 3.28Å; A524-S526 PolarHBondContact O-N 2.73Å; S526-F528 VanDerWaalsContact C-N 3.26Å; S526-F528 PolarHBondContact O-N 3.46Å; S526-F528 WeakPolarHBondContact OG-CD2 3.26Å; S526-F528 WeakPolarHBondContact OG-CE2 3.48Å |
| 527 | R | 28.8 | Very low | 32 | Very low | 229 Ų | 229 | 143 Ų | 143 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | | | trans | -64.1 | 80.3 | 173.5 | -64.2 | 178.7 | -178.6 | 173.2 | -0.4 | 110.4 | T525 | T525-R527 PolarHBondContact O-N 3.48Š|
| 528 | F | 30.5 | Very low | 32 | Very low | 172 Ų | 172 | 139.1 Ų | 139.1 | 75% | 0.754 | 77% | 0.769 | S | S | * | * | | | trans | -92.4 | 108.1 | 156.8 | -82.8 | -79.3 | 0 | 0 | 0 | 107.6 | S526 M530 | S526-F528 VanDerWaalsContact C-N 3.26Å; S526-F528 PolarHBondContact O-N 3.46Å; S526-F528 WeakPolarHBondContact OG-CD2 3.26Å; S526-F528 WeakPolarHBondContact OG-CE2 3.48Å; F528-M530 VanDerWaalsContact C-N 3.29Å; F528-M530 PolarHBondContact O-N 3.34Å |
| 529 | L | 33.3 | Very low | 32.1 | Very low | 178 Ų | 178 | 142.8 Ų | 142.8 | 93% | 0.932 | 77% | 0.773 | S | S | * | * | | | trans | -60.9 | 90.7 | 168.2 | -65.4 | 162.1 | 0 | 0 | 0 | 107.7 | | |
| 530 | M | 33 | Very low | 31.7 | Very low | 146 Ų | 146 | 147 Ų | 147 | 72% | 0.719 | 77% | 0.772 | S | S | * | * | | | trans | -114.8 | 115.5 | 171.6 | -111.8 | 164.7 | 61.1 | 0 | 0 | 107.2 | F528 | F528-M530 VanDerWaalsContact C-N 3.29Å; F528-M530 PolarHBondContact O-N 3.34Å |
| 531 | S | 33.2 | Very low | 31.9 | Very low | 108 Ų | 108 | 144.4 Ų | 144.4 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | | | trans | -55.6 | 137.7 | -171.8 | -45.9 | 0 | 0 | 0 | 0 | 113.2 | D533 | S531-D533 PolarHBondContact O-N 2.98Š|
| 532 | D | 36.2 | Very low | 32.5 | Very low | 163 Ų | 163 | 144.2 Ų | 144.2 | 87% | 0.872 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -69.1 | 33.5 | -168.9 | -74.4 | -44.8 | 0 | 0 | 0 | 117 | Q534 | D532-Q534 VanDerWaalsContact C-N 3.34Å; D532-Q534 PolarHBondContact O-N 2.93Å |
| 533 | D | 37.3 | Very low | 33 | Very low | 149 Ų | 149 | 144.9 Ų | 144.9 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | | | trans | -97.2 | 30.6 | 178.5 | -69 | -16.2 | 0 | 0 | 0 | 113 | S531 I535 | S531-D533 PolarHBondContact O-N 2.98Å; D533-I535 PolarHBondContact O-N 3.33Å |
| 534 | Q | 32.7 | Very low | 33.2 | Very low | 166 Ų | 166 | 141.4 Ų | 141.4 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | | | trans | -75.8 | 94.5 | 173.1 | -71.6 | -166.7 | 17.7 | 0 | 0 | 110.7 | D532 S536 | D532-Q534 VanDerWaalsContact C-N 3.34Å; D532-Q534 PolarHBondContact O-N 2.93Å; Q534-S536 PolarHBondContact O-N 3.48Å |
| 535 | I | 32.6 | Very low | 33.6 | Very low | 152 Ų | 152 | 144.9 Ų | 144.9 | 78% | 0.779 | 75% | 0.754 | S | S | * | * | | | trans | -55.3 | 103.1 | 165.1 | -59.8 | 169.6 | 0 | 0 | 0 | 108.2 | D533 V537 | D533-I535 PolarHBondContact O-N 3.33Å; I535-V537 HydrophobicContact CG2-CG2 3.99Å; I535-V537 PolarHBondContact O-N 3.28Å |
| 536 | S | 29.8 | Very low | 33.9 | Very low | 102 Ų | 102 | 147.3 Ų | 147.3 | 71% | 0.713 | 76% | 0.757 | S | S | * | * | | | trans | -69.8 | 106.3 | 168.6 | 176 | 0 | 0 | 0 | 0 | 108.7 | Q534 | Q534-S536 PolarHBondContact O-N 3.48Š|
| 537 | V | 31.3 | Very low | 34 | Very low | 96 Ų | 96 | 148.7 Ų | 148.7 | 58% | 0.582 | 77% | 0.765 | S | S | * | * | | | trans | -91.7 | 100.2 | 170.9 | -178.3 | 0 | 0 | 0 | 0 | 107.5 | I535 F539 | I535-V537 HydrophobicContact CG2-CG2 3.99Å; I535-V537 PolarHBondContact O-N 3.28Å; V537-F539 HydrophobicContact CB-CE2 4.38Å; V537-F539 HydrophobicContact CG1-CD2 4.43Å; V537-F539 HydrophobicContact CG1-CE1 4.35Å; V537-F539 HydrophobicContact CG1-CE2 4.03Å; V537-F539 HydrophobicContact CG1-CZ 3.98Å; V537-F539 WeakPolarHBondContact O-CD2 3.34Å; V537-F539 PolarHBondContact O-N 3.43Å |
| 538 | V | 32.9 | Very low | 34.1 | Very low | 115 Ų | 115 | 147.1 Ų | 147.1 | 70% | 0.697 | 77% | 0.768 | S | S | * | * | | | trans | -78.2 | 107 | 173 | -179.7 | 0 | 0 | 0 | 0 | 108.2 | R540 | V538-R540 PolarHBondContact O-N 3.28Š|
| 539 | F | 34.4 | Very low | 34.1 | Very low | 179 Ų | 179 | 143.9 Ų | 143.9 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | | | trans | -73.8 | 105.2 | 169.9 | -65.6 | -86.8 | 0 | 0 | 0 | 108.5 | V537 N541 | V537-F539 HydrophobicContact CB-CE2 4.38Å; V537-F539 HydrophobicContact CG1-CD2 4.43Å; V537-F539 HydrophobicContact CG1-CE1 4.35Å; V537-F539 HydrophobicContact CG1-CE2 4.03Å; V537-F539 HydrophobicContact CG1-CZ 3.98Å; V537-F539 WeakPolarHBondContact O-CD2 3.34Å; V537-F539 PolarHBondContact O-N 3.43Å; F539-N541 PolarHBondContact O-N 3.17Å |
| 540 | R | 30.8 | Very low | 33.9 | Very low | 217 Ų | 217 | 142.7 Ų | 142.7 | 82% | 0.819 | 76% | 0.76 | S | S | * | * | | | trans | -70.3 | 116.9 | 164.5 | -78.4 | -171.4 | -178.3 | -177.3 | 0.6 | 107.6 | V538 P542 | V538-R540 PolarHBondContact O-N 3.28Å; R540-P542 WeakPolarHBondContact O-CD 3.17Å |
| 541 | N | 35.6 | Very low | 33.9 | Very low | 119 Ų | 119 | 141 Ų | 141 | 64% | 0.636 | 76% | 0.763 | S | S | * | * | | | trans | -59.5 | 123.9 | 167.2 | -87.8 | -14 | 0 | 0 | 0 | 108.2 | F539 D543 | F539-N541 PolarHBondContact O-N 3.17Å; N541-D543 PolarHBondContact O-N 3.34Å |
| 542 | P | 42.1 | Very low | 33.7 | Very low | 111 Ų | 111 | 142.3 Ų | 142.3 | 72% | 0.721 | 76% | 0.757 | S | S | * | * | G | 310 helix | trans | -72.4 | -6.1 | 176.5 | 28.8 | -33.1 | 0 | 0 | 0 | 113.2 | R540 T544 | R540-P542 WeakPolarHBondContact O-CD 3.17Å; P542-T544 VanDerWaalsContact C-N 3.31Å; P542-T544 PolarHBondContact O-N 3.06Å |
| 543 | D | 40.8 | Very low | 33.5 | Very low | 145 Ų | 145 | 140.5 Ų | 140.5 | 78% | 0.775 | 75% | 0.751 | S | S | * | * | G | 310 helix | trans | -85.2 | 2.1 | -172.8 | -57.8 | -29.4 | 0 | 0 | 0 | 114.3 | N541 | N541-D543 PolarHBondContact O-N 3.34Š|
| 544 | T | 35.3 | Very low | 33.1 | Very low | 114 Ų | 114 | 139 Ų | 139 | 70% | 0.699 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -121.1 | 20.8 | -178.3 | 30.4 | 0 | 0 | 0 | 0 | 115 | P542 E546 | P542-T544 VanDerWaalsContact C-N 3.31Å; P542-T544 PolarHBondContact O-N 3.06Å; T544-E546 PolarHBondContact O-N 2.98Å; T544-E546 VanDerWaalsContact O-N 3.12Å |
| 545 | E | 37.7 | Very low | 33.1 | Very low | 166 Ų | 166 | 139.1 Ų | 139.1 | 78% | 0.776 | 74% | 0.744 | S | S | * | * | | | trans | -83.1 | 83.8 | 157.7 | -71.8 | -168.2 | -177.5 | 0 | 0 | 108.8 | C547 | E545-C547 PolarHBondContact O-N 2.84Å; E545-C547 VanDerWaalsContact O-N 3.1Å |
| 546 | E | 35.8 | Very low | 33.1 | Very low | 181 Ų | 181 | 138.8 Ų | 138.8 | 85% | 0.846 | 74% | 0.743 | S | S | * | * | | | trans | -41.2 | 117.2 | 152.7 | -72.8 | -179.9 | 158.5 | 0 | 0 | 107.8 | T544 Q548 | T544-E546 PolarHBondContact O-N 2.98Å; T544-E546 VanDerWaalsContact O-N 3.12Å; E546-Q548 VanDerWaalsContact C-N 3.35Å; E546-Q548 PolarHBondContact O-N 2.99Å |
| 547 | C | 30.8 | Very low | 33.2 | Very low | 114 Ų | 114 | 139.5 Ų | 139.5 | 77% | 0.77 | 75% | 0.747 | S | S | * | * | | | trans | -54.3 | 101.5 | 172.9 | -70.5 | 0 | 0 | 0 | 0 | 108 | E545 S549 | E545-C547 PolarHBondContact O-N 2.84Å; E545-C547 VanDerWaalsContact O-N 3.1Å; C547-S549 PolarHBondContact O-N 2.99Å; C547-S549 PolarHBondContact O-OG 2.85Å |
| 548 | Q | 30.9 | Very low | 33.2 | Very low | 197 Ų | 197 | 141 Ų | 141 | 92% | 0.921 | 76% | 0.761 | S | S | * | * | | | trans | -64.3 | 95.1 | 162.1 | -85.4 | -171.8 | -11.4 | 0 | 0 | 106.8 | E546 L550 | E546-Q548 VanDerWaalsContact C-N 3.35Å; E546-Q548 PolarHBondContact O-N 2.99Å; Q548-L550 PolarHBondContact O-N 3.38Å |
| 549 | S | 30 | Very low | 33.3 | Very low | 103 Ų | 103 | 140.6 Ų | 140.6 | 72% | 0.72 | 76% | 0.764 | S | S | * | * | | | trans | -55.4 | 116 | 173.1 | -54.2 | 0 | 0 | 0 | 0 | 108.6 | C547 S551 | C547-S549 PolarHBondContact O-N 2.99Å; C547-S549 PolarHBondContact O-OG 2.85Å; S549-S551 PolarHBondContact O-N 3.26Å |
| 550 | L | 29.2 | Very low | 33 | Very low | 154 Ų | 154 | 141.8 Ų | 141.8 | 81% | 0.806 | 77% | 0.772 | S | S | * | * | | | trans | 29.7 | 92.2 | 139.8 | -67.3 | 159.4 | 0 | 0 | 0 | 115.7 | Q548 | Q548-L550 PolarHBondContact O-N 3.38Š|
| 551 | S | 32.1 | Very low | 33 | Very low | 110 Ų | 110 | 134.5 Ų | 134.5 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | | | trans | -109.2 | 81.7 | 144 | -175.2 | 0 | 0 | 0 | 0 | 107.2 | S549 V553 | S549-S551 PolarHBondContact O-N 3.26Å; S551-V553 PolarHBondContact O-N 3.07Å |
| 552 | Q | 29 | Very low | 32.8 | Very low | 135 Ų | 135 | 137.2 Ų | 137.2 | 63% | 0.631 | 78% | 0.777 | S | S | * | * | | | trans | -72.5 | 101.7 | 163.1 | -174.2 | 176.8 | -5.1 | 0 | 0 | 105.9 | D554 | Q552-D554 VanDerWaalsContact C-N 3.34Å; Q552-D554 PolarHBondContact NE2-OD1 3.3Å; Q552-D554 PolarHBondContact O-N 2.94Å |
| 553 | V | 32.5 | Very low | 32 | Very low | 125 Ų | 125 | 135.2 Ų | 135.2 | 76% | 0.758 | 78% | 0.776 | S | S | * | * | | | trans | -84.4 | 91.2 | 163.1 | -178.4 | 0 | 0 | 0 | 0 | 105.5 | S551 | S551-V553 PolarHBondContact O-N 3.07Š|
| 554 | D | 30 | Very low | 31.6 | Very low | 119 Ų | 119 | 135.9 Ų | 135.9 | 64% | 0.636 | 78% | 0.775 | S | S | * | * | | | trans | -69.1 | 125.2 | 158.5 | -72.2 | -34.4 | 0 | 0 | 0 | 107.9 | Q552 | Q552-D554 VanDerWaalsContact C-N 3.34Å; Q552-D554 PolarHBondContact NE2-OD1 3.3Å; Q552-D554 PolarHBondContact O-N 2.94Å |
| 555 | E | 31.9 | Very low | 31.4 | Very low | 168 Ų | 168 | 138 Ų | 138 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | | | trans | -176.3 | 137 | 145.2 | -92.6 | -163.8 | 140.4 | 0 | 0 | 106.7 | | |
| 556 | L | 32.7 | Very low | 31.3 | Very low | 144 Ų | 144 | 137 Ų | 137 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | | | cis | -163.8 | 141.9 | -4.7 | -110.1 | 162.8 | 0 | 0 | 0 | 105.3 | | |
| 557 | C | 32 | Very low | 31 | Very low | 118 Ų | 118 | 135.4 Ų | 135.4 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | | | trans | -65.5 | 136.4 | 170.9 | -72.7 | 0 | 0 | 0 | 0 | 110.7 | S559 | C557-S559 PolarHBondContact O-N 3.18Š|
| 558 | S | 31.2 | Very low | 31.3 | Very low | 126 Ų | 126 | 137.5 Ų | 137.5 | 88% | 0.881 | 77% | 0.771 | S | S | * | * | | | trans | -79 | 106.3 | 162.1 | 47.2 | 0 | 0 | 0 | 0 | 109.9 | | |
| 559 | S | 33.8 | Very low | 31.4 | Very low | 107 Ų | 107 | 135.1 Ų | 135.1 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | | | trans | -142.5 | 99.7 | 158.9 | 63.9 | 0 | 0 | 0 | 0 | 109.5 | C557 | C557-S559 PolarHBondContact O-N 3.18Š|
| 560 | E | 29.1 | Very low | 31.7 | Very low | 204 Ų | 204 | 137.5 Ų | 137.5 | 95% | 0.953 | 76% | 0.76 | S | S | * | * | | | trans | -62.5 | 146.2 | 161.8 | -94.7 | 163.1 | 133.9 | 0 | 0 | 111.6 | | |
| 561 | G | 31 | Very low | 31.9 | Very low | 65 Ų | 65 | 136.8 Ų | 136.8 | 67% | 0.67 | 76% | 0.756 | S | S | * | * | | | trans | 110.8 | 85.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 562 | I | 31 | Very low | 31.9 | Very low | 175 Ų | 175 | 139.1 Ų | 139.1 | 90% | 0.897 | 76% | 0.758 | S | S | * | * | | | | 54 | 89.5 | 87 | -54.6 | 171.1 | 0 | 0 | 0 | 112.7 | | |
| 563 | G | 26.2 | Very low | 32.1 | Very low | 69 Ų | 69 | 137.8 Ų | 137.8 | 71% | 0.711 | 76% | 0.761 | S | S | * | * | | | trans | 52.5 | 115.2 | 131.8 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 564 | E | 32.5 | Very low | 32.2 | Very low | 160 Ų | 160 | 137.9 Ų | 137.9 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | | | | -169.8 | 122.2 | 119.6 | -122.9 | -171.7 | 140.6 | 0 | 0 | 112.1 | | |
| 565 | K | 30.2 | Very low | 32.2 | Very low | 158 Ų | 158 | 137.8 Ų | 137.8 | 69% | 0.687 | 77% | 0.771 | S | S | * | * | | | | 77.8 | 132.4 | 126.4 | -111.5 | -177.5 | -161.8 | 145.3 | 0 | 123.4 | | |
| 566 | L | 35.1 | Very low | 32.4 | Very low | 144 Ų | 144 | 136.8 Ų | 136.8 | 75% | 0.754 | 77% | 0.771 | S | S | * | * | | | trans | 86.8 | 97.6 | 150.8 | -52.7 | 176.3 | 0 | 0 | 0 | 116.1 | | |
| 567 | D | 30.3 | Very low | 32.3 | Very low | 149 Ų | 149 | 134.6 Ų | 134.6 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | | | | 47.3 | 99.2 | 79.2 | -88.2 | -17.4 | 0 | 0 | 0 | 114.3 | | |
| 568 | M | 36.4 | Very low | 32.3 | Very low | 157 Ų | 157 | 137.7 Ų | 137.7 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | | | trans | -152.7 | 94 | 141.5 | -82.6 | -65.5 | -86.2 | 0 | 0 | 104.6 | | |
| 569 | E | 32.3 | Very low | 32.3 | Very low | 148 Ų | 148 | 138.5 Ų | 138.5 | 69% | 0.692 | 77% | 0.765 | S | S | * | * | | | | 38.5 | 105.6 | 102.3 | -69.7 | -171 | 163.6 | 0 | 0 | 112.7 | | |
| 570 | H | 37.8 | Very low | 32.2 | Very low | 152 Ų | 152 | 143.5 Ų | 143.5 | 70% | 0.704 | 77% | 0.768 | S | S | * | * | | | | 173.6 | 128.8 | 120.8 | -87 | -36.5 | 0 | 0 | 0 | 114.1 | | |
| 571 | L | 32.2 | Very low | 32.6 | Very low | 139 Ų | 139 | 141.1 Ų | 141.1 | 73% | 0.728 | 76% | 0.762 | S | S | * | * | | | trans | 71 | 92.1 | 151.8 | -79.6 | 84.3 | 0 | 0 | 0 | 117.6 | | |
| 572 | I | 32 | Very low | 32.7 | Very low | 160 Ų | 160 | 144.2 Ų | 144.2 | 82% | 0.821 | 76% | 0.763 | S | S | * | * | | | | 79.5 | 134.9 | 73.5 | -66.1 | 174.3 | 0 | 0 | 0 | 113.2 | | |
| 573 | P | 33.7 | Very low | 32.9 | Very low | 107 Ų | 107 | 142.9 Ų | 142.9 | 70% | 0.695 | 76% | 0.757 | S | S | * | * | | | trans | -107.3 | 150.2 | -144.5 | 37.8 | -26.7 | 0 | 0 | 0 | 113.4 | | |
| 574 | S | 34.7 | Very low | 33.4 | Very low | 127 Ų | 127 | 144.7 Ų | 144.7 | 89% | 0.888 | 76% | 0.759 | S | S | * | * | | | trans | -101.5 | 103.5 | 163.3 | 42 | 0 | 0 | 0 | 0 | 109.8 | | |
| 575 | T | 30.7 | Very low | 33.4 | Very low | 116 Ų | 116 | 145.4 Ų | 145.4 | 71% | 0.712 | 76% | 0.763 | S | S | * | * | | | trans | -63.7 | 137.3 | 167.1 | 44.4 | 0 | 0 | 0 | 0 | 112.6 | | |
| 576 | N | 35.3 | Very low | 33.7 | Very low | 147 Ų | 147 | 145.2 Ų | 145.2 | 79% | 0.786 | 76% | 0.764 | S | S | * | * | | | trans | -172.4 | 97.5 | 140.5 | -86 | -17.4 | 0 | 0 | 0 | 104.6 | | |
| 577 | S | 31.2 | Very low | 33.6 | Very low | 98 Ų | 98 | 144 Ų | 144 | 69% | 0.685 | 76% | 0.763 | S | S | * | * | | | | 32.3 | 121.7 | 87.4 | 69 | 0 | 0 | 0 | 0 | 111.5 | | |
| 578 | E | 31.1 | Very low | 33.6 | Very low | 184 Ų | 184 | 145 Ų | 145 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | | | cis | 179.8 | 166.6 | 42.3 | -158 | 167.4 | -178.8 | 0 | 0 | 107.8 | | |
| 579 | N | 32.4 | Very low | 33.5 | Very low | 143 Ų | 143 | 146.3 Ų | 146.3 | 77% | 0.765 | 77% | 0.772 | S | S | * | * | | | trans | 91.8 | 88.8 | 162.8 | -130.3 | 21.5 | 0 | 0 | 0 | 117 | | |
| 580 | R | 31.5 | Very low | 33.4 | Very low | 212 Ų | 212 | 143.8 Ų | 143.8 | 80% | 0.8 | 77% | 0.77 | S | S | * | * | | | | 61.1 | 106 | 77.8 | -78.7 | -171.5 | 167.4 | 174.8 | -2.6 | 115.7 | | |
| 581 | N | 36.1 | Very low | 33.1 | Very low | 154 Ų | 154 | 146 Ų | 146 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | | | | 178.6 | 104.6 | 122.6 | -84.4 | -13.8 | 0 | 0 | 0 | 106.5 | | |
| 582 | N | 33.8 | Very low | 33 | Very low | 130 Ų | 130 | 147.2 Ų | 147.2 | 70% | 0.695 | 78% | 0.784 | S | S | * | * | | | | 57.3 | 100.2 | 76.4 | -80.8 | 21.4 | 0 | 0 | 0 | 113.7 | | |
| 583 | D | 35.2 | Very low | 33.2 | Very low | 146 Ų | 146 | 145 Ų | 145 | 78% | 0.781 | 77% | 0.773 | S | S | * | * | | | | 159.6 | 148 | 103.2 | -78.9 | -23.2 | 0 | 0 | 0 | 113.6 | | |
| 584 | S | 37.2 | Very low | 33.1 | Very low | 108 Ų | 108 | 145.7 Ų | 145.7 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | | | trans | 82.5 | 99.5 | 177.3 | 68.5 | 0 | 0 | 0 | 0 | 116.9 | | |
| 585 | E | 32.6 | Very low | 33.1 | Very low | 174 Ų | 174 | 149.5 Ų | 149.5 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | | | | 60.5 | 133.9 | 68.2 | -68.5 | -168.3 | 160.8 | 0 | 0 | 112.4 | | |
| 586 | E | 36 | Very low | 33.1 | Very low | 154 Ų | 154 | 152 Ų | 152 | 72% | 0.72 | 78% | 0.78 | S | S | * | * | | | cis | -169.1 | 130.6 | 2.6 | -107.7 | -170.8 | 143.8 | 0 | 0 | 104.2 | | |
| 587 | T | 33.2 | Very low | 32.9 | Very low | 119 Ų | 119 | 151.3 Ų | 151.3 | 73% | 0.73 | 78% | 0.776 | S | S | * | * | | | | 83.9 | 105.1 | 104.5 | -46.8 | 0 | 0 | 0 | 0 | 116.3 | | |
| 588 | L | 31.4 | Very low | 32.9 | Very low | 171 Ų | 171 | 153.1 Ų | 153.1 | 90% | 0.895 | 78% | 0.779 | S | S | * | * | | | trans | -33.3 | 126.9 | 159.4 | -62.1 | 158.5 | 0 | 0 | 0 | 116 | | |
| 589 | Q | 32.7 | Very low | 32.9 | Very low | 184 Ų | 184 | 153.3 Ų | 153.3 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | | | trans | -117.5 | 100.3 | 152.1 | -86.6 | -171.3 | 0.3 | 0 | 0 | 107.5 | | |
| 590 | S | 31.9 | Very low | 33 | Very low | 95 Ų | 95 | 151.7 Ų | 151.7 | 66% | 0.664 | 78% | 0.779 | S | S | * | * | | | | 82.3 | 108.9 | 93.2 | 71.6 | 0 | 0 | 0 | 0 | 114.2 | | |
| 591 | K | 29.8 | Very low | 33 | Very low | 198 Ų | 198 | 146.7 Ų | 146.7 | 86% | 0.861 | 78% | 0.777 | S | S | * | * | | | | 68.8 | 107.2 | 125.3 | -163.6 | 176.8 | -170.9 | 177.8 | 0 | 117.1 | | |
| 592 | L | 31.9 | Very low | 32.7 | Very low | 164 Ų | 164 | 145 Ų | 145 | 86% | 0.859 | 78% | 0.777 | S | S | * | * | | | trans | 174.6 | 128.7 | 156.4 | -94.6 | 151.2 | 0 | 0 | 0 | 103.1 | | |
| 593 | I | 35.9 | Very low | 32.6 | Very low | 114 Ų | 114 | 146.5 Ų | 146.5 | 59% | 0.585 | 79% | 0.785 | S | S | * | * | | | cis | -159.4 | 126.3 | 28.7 | -55.3 | 179.3 | 0 | 0 | 0 | 106.6 | Y595 | I593-Y595 HydrophobicContact CB-CD2 4.14Å; I593-Y595 HydrophobicContact CB-CE2 4.26Å; I593-Y595 HydrophobicContact CD1-CE2 4.13Å; I593-Y595 HydrophobicContact CG2-CD2 3.41Å; I593-Y595 VanDerWaalsContact CG2-CD2 3.41Å; I593-Y595 HydrophobicContact CG2-CE2 3.51Å; I593-Y595 HydrophobicContact CG2-CG 4.23Å; I593-Y595 PolarHBondContact O-N 2.7Å |
| 594 | S | 32 | Very low | 32.3 | Very low | 121 Ų | 121 | 144.4 Ų | 144.4 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | | | trans | -82.9 | 103.2 | 161 | 43.1 | 0 | 0 | 0 | 0 | 108 | E596 | S594-E596 PolarHBondContact O-N 3.24Š|
| 595 | Y | 34.4 | Very low | 32.1 | Very low | 208 Ų | 208 | 145.4 Ų | 145.4 | 82% | 0.816 | 78% | 0.783 | S | S | * | * | | | trans | -82.8 | 104.9 | 167.7 | -94.7 | -83.5 | 0 | 0 | 0 | 108.8 | I593 | I593-Y595 HydrophobicContact CB-CD2 4.14Å; I593-Y595 HydrophobicContact CB-CE2 4.26Å; I593-Y595 HydrophobicContact CD1-CE2 4.13Å; I593-Y595 HydrophobicContact CG2-CD2 3.41Å; I593-Y595 VanDerWaalsContact CG2-CD2 3.41Å; I593-Y595 HydrophobicContact CG2-CE2 3.51Å; I593-Y595 HydrophobicContact CG2-CG 4.23Å; I593-Y595 PolarHBondContact O-N 2.7Å |
| 596 | E | 29.5 | Very low | 31.9 | Very low | 167 Ų | 167 | 146 Ų | 146 | 78% | 0.78 | 79% | 0.786 | S | S | * | * | | | trans | -94 | 118.6 | 163.5 | -160 | 168.4 | -160.1 | 0 | 0 | 105.8 | S594 | S594-E596 PolarHBondContact O-N 3.24Š|
| 597 | N | 31.8 | Very low | 31.9 | Very low | 133 Ų | 133 | 148.2 Ų | 148.2 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | | | | 167.7 | 139.3 | 129.3 | -91.6 | -7 | 0 | 0 | 0 | 114.5 | | |
| 598 | D | 31.5 | Very low | 31.9 | Very low | 137 Ų | 137 | 148 Ų | 148 | 73% | 0.733 | 80% | 0.796 | S | S | * | * | | | trans | 81.6 | 75.3 | 147.6 | -56 | -19.4 | 0 | 0 | 0 | 119.1 | | |
| 599 | H | 29.6 | Very low | 31.9 | Very low | 188 Ų | 188 | 147.3 Ų | 147.3 | 87% | 0.87 | 79% | 0.793 | S | S | * | * | | | trans | -68.6 | 120.9 | 133 | -74.8 | -70.1 | 0 | 0 | 0 | 110.2 | | |
| 600 | S | 34.9 | Very low | 31.8 | Very low | 109 Ų | 109 | 147.2 Ų | 147.2 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | | | trans | -163.1 | 107.5 | 149.9 | -81.7 | 0 | 0 | 0 | 0 | 113.4 | | |
| 601 | S | 32.3 | Very low | 31.8 | Very low | 107 Ų | 107 | 151.4 Ų | 151.4 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | | | trans | 53.1 | 106.3 | 142 | 69.1 | 0 | 0 | 0 | 0 | 120.7 | | |
| 602 | S | 30.4 | Very low | 32.1 | Very low | 119 Ų | 119 | 148.6 Ų | 148.6 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | | | trans | -33.6 | 126.9 | 133.7 | 50.3 | 0 | 0 | 0 | 0 | 114.8 | | |
| 603 | N | 31.7 | Very low | 32.1 | Very low | 160 Ų | 160 | 149.4 Ų | 149.4 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | | | trans | -149.2 | 130.5 | 142.8 | -140 | -3.5 | 0 | 0 | 0 | 111.9 | | |
| 604 | S | 28 | Very low | 32 | Very low | 103 Ų | 103 | 152.3 Ų | 152.3 | 72% | 0.72 | 80% | 0.802 | S | S | * | * | | | trans | -88.2 | 133.3 | 179.8 | 80.4 | 0 | 0 | 0 | 0 | 110 | | |
| 605 | T | 33.5 | Very low | 31.9 | Very low | 129 Ų | 129 | 156.5 Ų | 156.5 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | | | trans | -158.6 | 120.7 | 146.4 | -23.3 | 0 | 0 | 0 | 0 | 110.5 | K607 | T605-K607 PolarHBondContact O-N 3.16Š|
| 606 | H | 28.5 | Very low | 31.9 | Very low | 187 Ų | 187 | 154.2 Ų | 154.2 | 87% | 0.866 | 80% | 0.801 | S | S | * | * | | | trans | -58.6 | 120.9 | 160.9 | -77.8 | -96.2 | 0 | 0 | 0 | 109.5 | | |
| 607 | K | 34.8 | Very low | 32.1 | Very low | 200 Ų | 200 | 153.8 Ų | 153.8 | 87% | 0.87 | 80% | 0.804 | S | S | * | * | | | trans | -135.3 | 113.2 | 154.9 | -102.7 | -175.6 | 176.8 | -176 | 0 | 108.8 | T605 | T605-K607 PolarHBondContact O-N 3.16Š|
| 608 | S | 34.1 | Very low | 32.3 | Very low | 114 Ų | 114 | 156.8 Ų | 156.8 | 80% | 0.797 | 81% | 0.814 | S | S | * | * | | | trans | -64.7 | 142.3 | 173.3 | -53.3 | 0 | 0 | 0 | 0 | 111 | | |
| 609 | L | 30.6 | Very low | 32.4 | Very low | 157 Ų | 157 | 155 Ų | 155 | 82% | 0.822 | 81% | 0.813 | S | S | * | * | | | trans | 8.1 | 113.9 | 152.3 | -97.6 | 103.1 | 0 | 0 | 0 | 117.1 | F611 | L609-F611 HydrophobicContact CD2-CD2 4.29Å; L609-F611 HydrophobicContact CD2-CE2 3.91Å |
| 610 | E | 31.8 | Very low | 32.6 | Very low | 182 Ų | 182 | 154 Ų | 154 | 85% | 0.85 | 81% | 0.808 | S | S | * | * | | | trans | -131.3 | 120.1 | 150.8 | -154.6 | 165.9 | -155.1 | 0 | 0 | 107.6 | I612 | E610-I612 PolarHBondContact O-N 3.37Š|
| 611 | F | 31.1 | Very low | 32.8 | Very low | 183 Ų | 183 | 157.5 Ų | 157.5 | 80% | 0.803 | 81% | 0.812 | S | S | * | * | | | trans | -64.5 | 122.1 | 175.6 | -90.2 | -106 | 0 | 0 | 0 | 109.3 | L609 | L609-F611 HydrophobicContact CD2-CD2 4.29Å; L609-F611 HydrophobicContact CD2-CE2 3.91Å |
| 612 | I | 36.7 | Very low | 33 | Very low | 138 Ų | 138 | 157.3 Ų | 157.3 | 71% | 0.708 | 80% | 0.803 | S | S | * | * | | | trans | -128.2 | 95.3 | 157 | -56.2 | -179.4 | 0 | 0 | 0 | 107 | E610 Q614 | E610-I612 PolarHBondContact O-N 3.37Å; I612-Q614 HydrophobicContact CG2-CB 4.3Å; I612-Q614 PolarHBondContact O-N 3.39Å |
| 613 | E | 31 | Very low | 33.5 | Very low | 181 Ų | 181 | 159.8 Ų | 159.8 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | | | trans | -69.5 | 96.4 | 164 | -170 | 175.5 | -149.5 | 0 | 0 | 106.9 | | |
| 614 | Q | 33.3 | Very low | 33.7 | Very low | 175 Ų | 175 | 157.8 Ų | 157.8 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | | | trans | -108.7 | 105.5 | 174.8 | -143.6 | 169 | 16.5 | 0 | 0 | 109.1 | I612 | I612-Q614 HydrophobicContact CG2-CB 4.3Å; I612-Q614 PolarHBondContact O-N 3.39Å |
| 615 | R | 30.3 | Very low | 34.3 | Very low | 209 Ų | 209 | 161.9 Ų | 161.9 | 79% | 0.789 | 80% | 0.8 | S | S | * | * | | | trans | -55.5 | 142 | 165.8 | -60.4 | 174.8 | -170.8 | 155.4 | 2.1 | 110 | | |
| 616 | N | 34.7 | Very low | 34.5 | Very low | 160 Ų | 160 | 164.2 Ų | 164.2 | 86% | 0.856 | 81% | 0.808 | S | S | * | * | | | | -169.2 | 130.2 | 123.7 | -89.8 | -20.1 | 0 | 0 | 0 | 110.3 | | |
| 617 | D | 33 | Very low | 34.7 | Very low | 158 Ų | 158 | 162.5 Ų | 162.5 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | | | trans | -72.9 | 132.8 | 175.4 | -56.5 | -66.9 | 0 | 0 | 0 | 111.7 | | |
| 618 | E | 35.7 | Very low | 34.8 | Very low | 196 Ų | 196 | 161 Ų | 161 | 92% | 0.916 | 80% | 0.801 | S | S | * | * | | | trans | -167.3 | 126.7 | 160.5 | -109.3 | 173.8 | 177 | 0 | 0 | 104.4 | | |
| 619 | S | 34.3 | Very low | 34.8 | Very low | 100 Ų | 100 | 162.2 Ų | 162.2 | 70% | 0.699 | 80% | 0.797 | S | S | * | * | | | cis | -164.6 | 134.1 | 16.2 | 49.8 | 0 | 0 | 0 | 0 | 107.2 | | |
| 620 | Q | 33.1 | Very low | 35.2 | Very low | 167 Ų | 167 | 159.7 Ų | 159.7 | 78% | 0.78 | 79% | 0.793 | S | S | * | * | | | trans | -61.6 | 137 | 164.7 | -81.6 | 176.1 | -75.4 | 0 | 0 | 110.2 | | |
| 621 | H | 40.2 | Very low | 35.3 | Very low | 183 Ų | 183 | 158.1 Ų | 158.1 | 85% | 0.847 | 79% | 0.791 | S | S | * | * | | | trans | -117.2 | 106.6 | 152.2 | -108.8 | -73.6 | 0 | 0 | 0 | 108.2 | | |
| 622 | D | 36.2 | Very low | 35.4 | Very low | 102 Ų | 102 | 156 Ų | 156 | 55% | 0.545 | 79% | 0.793 | S | S | . | * | | | trans | -68.8 | 119 | 169.6 | -67 | -41.2 | 0 | 0 | 0 | 109.6 | I624 | D622-I624 HydrophobicContact CB-CD1 4.17Å; D622-I624 HydrophobicContact CB-CG1 4.3Å |
| 623 | N | 40.8 | Very low | 35.6 | Very low | 172 Ų | 172 | 155.3 Ų | 155.3 | 92% | 0.92 | 80% | 0.797 | S | S | * | * | | | trans | -108.2 | 91.1 | 153.2 | -96.6 | -8.1 | 0 | 0 | 0 | 107.6 | | |
| 624 | I | 36.2 | Very low | 35.6 | Very low | 118 Ų | 118 | 153.5 Ų | 153.5 | 61% | 0.605 | 79% | 0.794 | S | S | * | * | | | trans | -72.7 | 149.5 | 164.4 | -69.7 | 159.2 | 0 | 0 | 0 | 107.6 | D622 | D622-I624 HydrophobicContact CB-CD1 4.17Å; D622-I624 HydrophobicContact CB-CG1 4.3Å |
| 625 | F | 40.8 | Very low | 35.6 | Very low | 188 Ų | 188 | 151.6 Ų | 151.6 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | | | trans | 96 | 69 | 178.9 | -52.8 | -68.6 | 0 | 0 | 0 | 116.7 | | |
| 626 | D | 38 | Very low | 35.6 | Very low | 179 Ų | 179 | 148.6 Ų | 148.6 | 96% | 0.957 | 79% | 0.793 | S | S | * | * | | | trans | -143.2 | 80 | 130.1 | -91.6 | -32.8 | 0 | 0 | 0 | 108.2 | | |
| 627 | E | 32.7 | Very low | 35.4 | Very low | 151 Ų | 151 | 147.5 Ų | 147.5 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | | | trans | -103.5 | 109.4 | 170.5 | -173.7 | 177.1 | -166.9 | 0 | 0 | 107.8 | I629 | E627-I629 HydrophobicContact CG-CD1 4.3Š|
| 628 | N | 35.9 | Very low | 35.5 | Very low | 167 Ų | 167 | 146 Ų | 146 | 89% | 0.893 | 78% | 0.782 | S | S | * | * | | | trans | -147.8 | 101.6 | 151.6 | -95.6 | -40.7 | 0 | 0 | 0 | 109.4 | | |
| 629 | I | 34.9 | Very low | 35.5 | Very low | 140 Ų | 140 | 142.5 Ų | 142.5 | 72% | 0.718 | 77% | 0.768 | S | S | * | * | | | trans | -73.4 | 126.1 | 175.6 | -64.4 | 156.3 | 0 | 0 | 0 | 108.6 | E627 | E627-I629 HydrophobicContact CG-CD1 4.3Š|
| 630 | S | 37.7 | Very low | 35.5 | Very low | 105 Ų | 105 | 144.1 Ų | 144.1 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | | | trans | -147.6 | 109.7 | 152.9 | 60.5 | 0 | 0 | 0 | 0 | 112.5 | | |
| 631 | N | 34.7 | Very low | 35.6 | Very low | 149 Ų | 149 | 141.3 Ų | 141.3 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | | | trans | 56.6 | 94.3 | 145.4 | -59.9 | -15.7 | 0 | 0 | 0 | 120.2 | | |
| 632 | T | 33.6 | Very low | 35.3 | Very low | 138 Ų | 138 | 141.5 Ų | 141.5 | 85% | 0.847 | 77% | 0.769 | S | S | * | * | | | trans | -60.3 | 141.6 | 150.3 | 42.3 | 0 | 0 | 0 | 0 | 113.5 | | |
| 633 | P | 39.9 | Very low | 35.4 | Very low | 124 Ų | 124 | 143.1 Ų | 143.1 | 81% | 0.805 | 78% | 0.778 | S | S | * | * | | | trans | -119.2 | 93.4 | 132.4 | 30.1 | -17.4 | 0 | 0 | 0 | 110.2 | V635 | P633-V635 PolarHBondContact O-N 3.43Š|
| 634 | N | 31.6 | Very low | 35.1 | Very low | 143 Ų | 143 | 143.9 Ų | 143.9 | 77% | 0.765 | 78% | 0.776 | S | S | * | * | | | trans | 22.1 | 92.3 | 133.4 | -164.6 | 16.6 | 0 | 0 | 0 | 118.8 | | |
| 635 | V | 32.8 | Very low | 35.1 | Very low | 135 Ų | 135 | 144.6 Ų | 144.6 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | | | trans | -153.2 | 75.6 | 141.7 | -170.4 | 0 | 0 | 0 | 0 | 109.4 | P633 | P633-V635 PolarHBondContact O-N 3.43Š|
| 636 | N | 30.3 | Very low | 34.8 | Very low | 146 Ų | 146 | 139.1 Ų | 139.1 | 78% | 0.781 | 79% | 0.787 | S | S | * | * | | | trans | -144 | 145.4 | 158.9 | -75.3 | -19.3 | 0 | 0 | 0 | 104.3 | | |
| 637 | E | 30.8 | Very low | 34.5 | Very low | 137 Ų | 137 | 140 Ų | 140 | 64% | 0.64 | 79% | 0.785 | S | S | * | * | | | cis | -164.1 | 165.8 | 2.1 | -116.4 | 174.4 | 161.3 | 0 | 0 | 103.4 | I639 | E637-I639 HydrophobicContact CG-CG1 4.42Å; E637-I639 WeakPolarHBondContact OE1-CD1 3.34Å |
| 638 | P | 35.4 | Very low | 34.7 | Very low | 127 Ų | 127 | 141.6 Ų | 141.6 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | | | trans | -134.4 | 95.6 | 131.3 | 31.5 | -18.1 | 0 | 0 | 0 | 109.6 | | |
| 639 | I | 35.5 | Very low | 34.6 | Very low | 121 Ų | 121 | 141.4 Ų | 141.4 | 62% | 0.621 | 79% | 0.793 | S | S | * | * | | | trans | -86.9 | 117.7 | 155.6 | -64.3 | 178.3 | 0 | 0 | 0 | 106.2 | E637 V641 | E637-I639 HydrophobicContact CG-CG1 4.42Å; E637-I639 WeakPolarHBondContact OE1-CD1 3.34Å; I639-V641 HydrophobicContact CG2-CG2 4.33Å; I639-V641 PolarHBondContact O-N 3.17Å |
| 640 | T | 33.6 | Very low | 34.6 | Very low | 135 Ų | 135 | 140.6 Ų | 140.6 | 83% | 0.828 | 80% | 0.796 | S | S | * | * | | | trans | -71.8 | 107.5 | 177.6 | 8.2 | 0 | 0 | 0 | 0 | 108.1 | | |
| 641 | V | 37.1 | Very low | 34.5 | Very low | 107 Ų | 107 | 141.3 Ų | 141.3 | 65% | 0.648 | 80% | 0.801 | S | S | * | * | | | trans | -111.4 | 110.8 | 165.1 | -172 | 0 | 0 | 0 | 0 | 106.4 | I639 D643 | I639-V641 HydrophobicContact CG2-CG2 4.33Å; I639-V641 PolarHBondContact O-N 3.17Å; V641-D643 PolarHBondContact O-N 3.42Å |
| 642 | E | 32.7 | Very low | 34.1 | Very low | 188 Ų | 188 | 137.1 Ų | 137.1 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | | | trans | -77.7 | 97.9 | 170.2 | -63.5 | -167.1 | 166.6 | 0 | 0 | 107.7 | | |
| 643 | D | 39 | Very low | 34.1 | Very low | 136 Ų | 136 | 137.8 Ų | 137.8 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | | | trans | -116.6 | 116.6 | 166 | -86.9 | -25.6 | 0 | 0 | 0 | 110 | V641 | V641-D643 PolarHBondContact O-N 3.42Š|
| 644 | E | 34.6 | Very low | 33.9 | Very low | 187 Ų | 187 | 140.2 Ų | 140.2 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | | | trans | 46.1 | 98.2 | 146.2 | -102.4 | 174.7 | 163.9 | 0 | 0 | 118.2 | G646 | E644-G646 PolarHBondContact O-N 3.23Š|
| 645 | C | 35.1 | Very low | 33.8 | Very low | 134 Ų | 134 | 140.2 Ų | 140.2 | 91% | 0.905 | 80% | 0.798 | S | S | * | * | | | trans | -60.8 | 95.4 | 163.2 | -64.1 | 0 | 0 | 0 | 0 | 111.1 | E647 | C645-E647 PolarHBondContact O-N 3.44Š|
| 646 | G | 35.4 | Very low | 34.2 | Very low | 73 Ų | 73 | 142 Ų | 142 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | | | trans | -66.4 | 113.6 | 161.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | E644 M648 | E644-G646 PolarHBondContact O-N 3.23Å; G646-M648 PolarHBondContact O-N 3.31Å; G646-M648 VanDerWaalsContact O-N 3.14Å |
| 647 | E | 31.5 | Very low | 34.5 | Very low | 196 Ų | 196 | 143.6 Ų | 143.6 | 92% | 0.916 | 80% | 0.798 | S | S | * | * | | | trans | -56 | 107.7 | 171.2 | -63.9 | 178.4 | 151.1 | 0 | 0 | 110.8 | C645 | C645-E647 PolarHBondContact O-N 3.44Š|
| 648 | M | 36.9 | Very low | 34.4 | Very low | 185 Ų | 185 | 145.1 Ų | 145.1 | 91% | 0.911 | 81% | 0.808 | S | S | * | * | | | trans | -114.8 | 121.6 | 159.8 | -88.5 | -179.5 | 70.6 | 0 | 0 | 110 | G646 | G646-M648 PolarHBondContact O-N 3.31Å; G646-M648 VanDerWaalsContact O-N 3.14Å |
| 649 | L | 33.1 | Very low | 34.5 | Very low | 164 Ų | 164 | 148.5 Ų | 148.5 | 86% | 0.859 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -58 | 158.6 | -173.1 | -74.5 | 163.2 | 0 | 0 | 0 | 114.5 | | |
| 650 | P | 36 | Very low | 34.3 | Very low | 122 Ų | 122 | 146.3 Ų | 146.3 | 79% | 0.792 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 129.7 | -162.6 | 32.9 | -33 | 0 | 0 | 0 | 112.1 | | |
| 651 | S | 34.9 | Very low | 34.3 | Very low | 120 Ų | 120 | 145.1 Ų | 145.1 | 84% | 0.839 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -94 | 122.5 | 160.8 | 62.3 | 0 | 0 | 0 | 0 | 109.1 | | |
| 652 | G | 27.2 | Very low | 34.1 | Very low | 61 Ų | 61 | 147.5 Ų | 147.5 | 63% | 0.629 | 82% | 0.822 | S | S | * | * | | | trans | -76 | -174.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 653 | N | 32.8 | Very low | 34.3 | Very low | 153 Ų | 153 | 146 Ų | 146 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | | | trans | 91.5 | 95.9 | 172.1 | -50.5 | -26.8 | 0 | 0 | 0 | 114.5 | | |
| 654 | Q | 36.4 | Very low | 34 | Very low | 174 Ų | 174 | 146.4 Ų | 146.4 | 81% | 0.813 | 82% | 0.817 | S | S | * | * | | | | -170.2 | 110.8 | 102.1 | -98.5 | -179.1 | 61.7 | 0 | 0 | 111.7 | K656 | Q654-K656 PolarHBondContact O-N 3.46Š|
| 655 | T | 29.7 | Very low | 34 | Very low | 144 Ų | 144 | 144.4 Ų | 144.4 | 88% | 0.883 | 81% | 0.812 | S | S | * | * | | | trans | -63.2 | 111.2 | 168 | -39.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 656 | K | 40.1 | Very low | 33.9 | Very low | 172 Ų | 172 | 144.9 Ų | 144.9 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | | | trans | -140.8 | 114.6 | 158.1 | -79.3 | -167.9 | 179.1 | 173.5 | 0 | 111.8 | Q654 | Q654-K656 PolarHBondContact O-N 3.46Š|
| 657 | E | 36 | Very low | 34 | Very low | 180 Ų | 180 | 150 Ų | 150 | 84% | 0.841 | 81% | 0.808 | S | S | * | * | | | trans | 62.6 | 96.5 | 146.9 | -68.2 | -175.9 | 135.6 | 0 | 0 | 119.6 | K659 | E657-K659 PolarHBondContact O-N 3.42Š|
| 658 | I | 29.1 | Very low | 34 | Very low | 169 Ų | 169 | 150 Ų | 150 | 87% | 0.867 | 81% | 0.807 | S | S | * | * | | | trans | -69.6 | 113.3 | 155.7 | -60 | 161.2 | 0 | 0 | 0 | 108.5 | | |
| 659 | K | 38.8 | Very low | 33.8 | Very low | 197 Ų | 197 | 149.7 Ų | 149.7 | 86% | 0.857 | 80% | 0.801 | S | S | * | * | | | trans | -135.4 | 116 | 150.1 | -87 | -172.4 | -179.9 | 171.3 | 0 | 109.2 | E657 | E657-K659 PolarHBondContact O-N 3.42Š|
| 660 | G | 29.4 | Very low | 34 | Very low | 76 Ų | 76 | 148.3 Ų | 148.3 | 78% | 0.784 | 80% | 0.799 | S | S | * | * | | | trans | -63.1 | 139.8 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 661 | S | 34.8 | Very low | 34 | Very low | 110 Ų | 110 | 148.6 Ų | 148.6 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | | | trans | -121 | 115.7 | 146.2 | 57.9 | 0 | 0 | 0 | 0 | 106.7 | L663 | S661-L663 PolarHBondContact O-N 3.21Š|
| 662 | I | 33.7 | Very low | 34 | Very low | 156 Ų | 156 | 150.8 Ų | 150.8 | 80% | 0.8 | 80% | 0.798 | S | S | * | * | | | trans | -77.6 | 101.1 | 174.7 | -65.6 | 161 | 0 | 0 | 0 | 105 | | |
| 663 | L | 36.6 | Very low | 34.3 | Very low | 158 Ų | 158 | 156.2 Ų | 156.2 | 83% | 0.827 | 81% | 0.806 | S | S | * | * | | | trans | -119.7 | 105 | 161.4 | -76.8 | 174.8 | 0 | 0 | 0 | 107.4 | S661 D665 | S661-L663 PolarHBondContact O-N 3.21Å; L663-D665 PolarHBondContact O-N 2.92Å |
| 664 | H | 31.4 | Very low | 34.4 | Very low | 144 Ų | 144 | 155.8 Ų | 155.8 | 67% | 0.667 | 80% | 0.804 | S | S | * | * | | | trans | -49.4 | 115.5 | 160.6 | -92.9 | -92.1 | 0 | 0 | 0 | 109.3 | D666 | H664-D666 IonicContact ND1-OD1 3.69Š|
| 665 | D | 34.9 | Very low | 34.1 | Very low | 144 Ų | 144 | 156.1 Ų | 156.1 | 77% | 0.77 | 81% | 0.806 | S | S | * | * | | | trans | -134 | 105.4 | 145.2 | -91.6 | -33.3 | 0 | 0 | 0 | 106.5 | L663 F667 | L663-D665 PolarHBondContact O-N 2.92Å; D665-F667 VanDerWaalsContact C-N 3.33Å; D665-F667 PolarHBondContact O-N 3.01Å |
| 666 | D | 33.8 | Very low | 34.5 | Very low | 144 Ų | 144 | 154.6 Ų | 154.6 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | | | trans | -63.2 | 89.3 | 178.1 | -65.7 | -39.7 | 0 | 0 | 0 | 109.2 | H664 E668 | H664-D666 IonicContact ND1-OD1 3.69Å; D666-E668 PolarHBondContact O-N 3.22Å; D666-E668 VanDerWaalsContact O-N 3.16Å |
| 667 | F | 36.6 | Very low | 33.9 | Very low | 182 Ų | 182 | 152.7 Ų | 152.7 | 80% | 0.798 | 81% | 0.805 | S | S | * | * | | | trans | -75.8 | 98.5 | 167.5 | -100.2 | -89.5 | 0 | 0 | 0 | 109.4 | D665 K669 | D665-F667 VanDerWaalsContact C-N 3.33Å; D665-F667 PolarHBondContact O-N 3.01Å; F667-K669 PolarHBondContact O-N 3.16Å |
| 668 | E | 32.9 | Very low | 33.7 | Very low | 194 Ų | 194 | 153.4 Ų | 153.4 | 91% | 0.907 | 81% | 0.806 | S | S | * | * | | | trans | -53.1 | 96.3 | 157.1 | -81.2 | -178.3 | 136.3 | 0 | 0 | 110 | D666 | D666-E668 PolarHBondContact O-N 3.22Å; D666-E668 VanDerWaalsContact O-N 3.16Å |
| 669 | K | 31.9 | Very low | 33.8 | Very low | 180 Ų | 180 | 151 Ų | 151 | 78% | 0.783 | 80% | 0.802 | S | S | * | * | | | trans | -141.6 | 93.2 | 162 | -96.9 | -172.8 | 177.8 | 178.8 | 0 | 108.9 | F667 | F667-K669 PolarHBondContact O-N 3.16Š|
| 670 | T | 37 | Very low | 33.3 | Very low | 135 Ų | 135 | 149.7 Ų | 149.7 | 83% | 0.828 | 80% | 0.804 | S | S | * | * | | | trans | -155.5 | 74.6 | 153.9 | 37.9 | 0 | 0 | 0 | 0 | 109.8 | | |
| 671 | T | 35.2 | Very low | 33.5 | Very low | 127 Ų | 127 | 151.4 Ų | 151.4 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | | | trans | -94.5 | 77.5 | 155.9 | 52.1 | 0 | 0 | 0 | 0 | 107.7 | H673 | T671-H673 PolarHBondContact O-N 2.85Š|
| 672 | M | 35.5 | Very low | 33.3 | Very low | 166 Ų | 166 | 153.8 Ų | 153.8 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | | | trans | -82 | 108 | 164.5 | -77.2 | -67.9 | -175.1 | 0 | 0 | 107.3 | D674 | M672-D674 PolarHBondContact O-N 2.89Å; M672-D674 VanDerWaalsContact O-N 3.09Å |
| 673 | H | 33.6 | Very low | 33.4 | Very low | 175 Ų | 175 | 151.5 Ų | 151.5 | 81% | 0.81 | 80% | 0.804 | S | S | * | * | | | trans | -70.7 | 88.7 | 172.7 | -78.5 | -84.1 | 0 | 0 | 0 | 109.5 | T671 | T671-H673 PolarHBondContact O-N 2.85Š|
| 674 | D | 34.1 | Very low | 33 | Very low | 145 Ų | 145 | 152.7 Ų | 152.7 | 78% | 0.775 | 80% | 0.803 | S | S | * | * | | | trans | -136 | 84.4 | 164.6 | -81.6 | -39.7 | 0 | 0 | 0 | 108.7 | M672 | M672-D674 PolarHBondContact O-N 2.89Å; M672-D674 VanDerWaalsContact O-N 3.09Å |
| 675 | E | 30.5 | Very low | 33.3 | Very low | 181 Ų | 181 | 151 Ų | 151 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | | | trans | -129.7 | 102.1 | 158.4 | -129.7 | -177.1 | -179.9 | 0 | 0 | 110.9 | | |
| 676 | P | 39.5 | Very low | 33 | Very low | 111 Ų | 111 | 150.4 Ų | 150.4 | 72% | 0.721 | 80% | 0.804 | S | S | * | * | | | trans | -75 | 147.8 | 174.3 | 28.1 | -31.2 | 0 | 0 | 0 | 111.9 | K678 | P676-K678 PolarHBondContact O-N 2.84Å; P676-K678 VanDerWaalsContact O-N 3.11Å |
| 677 | C | 27.7 | Very low | 32.9 | Very low | 133 Ų | 133 | 151.2 Ų | 151.2 | 90% | 0.899 | 81% | 0.808 | S | S | * | * | | | trans | -36.2 | 106.5 | 175.3 | -69.9 | 0 | 0 | 0 | 0 | 114.2 | | |
| 678 | K | 31.8 | Very low | 32.5 | Very low | 195 Ų | 195 | 148.5 Ų | 148.5 | 85% | 0.848 | 81% | 0.806 | S | S | * | * | | | trans | -98.4 | 121.3 | 162.9 | -82.8 | 178 | -179 | 167.2 | 0 | 110.4 | P676 | P676-K678 PolarHBondContact O-N 2.84Å; P676-K678 VanDerWaalsContact O-N 3.11Å |
| 679 | C | 29.8 | Very low | 32.6 | Very low | 118 Ų | 118 | 148.3 Ų | 148.3 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | | | trans | -64 | 145 | -177.3 | -68.7 | 0 | 0 | 0 | 0 | 112.8 | S681 | C679-S681 PolarHBondContact O-N 2.85Š|
| 680 | L | 29.3 | Very low | 32.5 | Very low | 170 Ų | 170 | 148.3 Ų | 148.3 | 89% | 0.89 | 81% | 0.808 | S | S | * | * | | | trans | -45.7 | 118.1 | 168.7 | -71.9 | 149.1 | 0 | 0 | 0 | 111.7 | | |
| 681 | S | 32.9 | Very low | 32.3 | Very low | 112 Ų | 112 | 149.5 Ų | 149.5 | 78% | 0.783 | 81% | 0.809 | S | S | * | * | | | trans | -116.2 | 102.4 | 162.2 | -65.4 | 0 | 0 | 0 | 0 | 108.7 | C679 S683 | C679-S681 PolarHBondContact O-N 2.85Å; S681-S683 PolarHBondContact O-N 2.87Å |
| 682 | I | 31.2 | Very low | 32.3 | Very low | 160 Ų | 160 | 149.2 Ų | 149.2 | 82% | 0.821 | 81% | 0.809 | S | S | * | * | | | trans | -68 | 107 | 172.2 | -62.5 | 157.6 | 0 | 0 | 0 | 107 | | |
| 683 | S | 34.6 | Very low | 32 | Very low | 107 Ų | 107 | 148.7 Ų | 148.7 | 75% | 0.748 | 80% | 0.804 | S | S | * | * | | | trans | -113.8 | 104.5 | 165 | 46.5 | 0 | 0 | 0 | 0 | 109.1 | S681 S685 | S681-S683 PolarHBondContact O-N 2.87Å; S683-S685 PolarHBondContact O-N 2.99Å |
| 684 | K | 30 | Very low | 31.8 | Very low | 184 Ų | 184 | 146.3 Ų | 146.3 | 80% | 0.8 | 81% | 0.808 | S | S | * | * | | | trans | -61.2 | 108.6 | 161.8 | -91 | 171.9 | 168 | 171.6 | 0 | 107.8 | | |
| 685 | S | 35.7 | Very low | 31.5 | Very low | 107 Ų | 107 | 148.3 Ų | 148.3 | 75% | 0.748 | 81% | 0.81 | S | S | * | * | | | trans | -99.1 | 107.2 | 159.3 | 55.3 | 0 | 0 | 0 | 0 | 108.8 | S683 N687 | S683-S685 PolarHBondContact O-N 2.99Å; S685-N687 PolarHBondContact O-N 3.35Å |
| 686 | N | 29.2 | Very low | 31.6 | Very low | 132 Ų | 132 | 145.1 Ų | 145.1 | 71% | 0.706 | 81% | 0.807 | S | S | * | * | | | trans | -79.8 | 102.1 | 168.3 | -63.6 | -36.5 | 0 | 0 | 0 | 107.2 | | |
| 687 | N | 32 | Very low | 31.2 | Very low | 162 Ų | 162 | 145.1 Ų | 145.1 | 87% | 0.866 | 81% | 0.81 | S | S | * | * | | | trans | -107.1 | 102.1 | 161.3 | -87.2 | -7 | 0 | 0 | 0 | 109.3 | S685 E689 | S685-N687 PolarHBondContact O-N 3.35Å; N687-E689 PolarHBondContact O-N 3.1Å |
| 688 | T | 28.4 | Very low | 31.1 | Very low | 124 Ų | 124 | 143.6 Ų | 143.6 | 76% | 0.761 | 80% | 0.801 | S | S | * | * | | | trans | -68.5 | 109.3 | 170.9 | -44.7 | 0 | 0 | 0 | 0 | 108.9 | | |
| 689 | E | 35.2 | Very low | 31.1 | Very low | 191 Ų | 191 | 140 Ų | 140 | 89% | 0.893 | 80% | 0.795 | S | S | * | * | | | trans | -111.6 | 135.3 | 156.4 | -85.8 | -173.1 | 168.2 | 0 | 0 | 109.4 | N687 | N687-E689 PolarHBondContact O-N 3.1Š|
| 690 | Q | 30.2 | Very low | 31.1 | Very low | 179 Ų | 179 | 143.2 Ų | 143.2 | 84% | 0.836 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 139.4 | -152.1 | -67.7 | 169.3 | -10.5 | 0 | 0 | 113.2 | | |
| 691 | L | 31.3 | Very low | 31 | Very low | 160 Ų | 160 | 141.4 Ų | 141.4 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 137.3 | 159.8 | -101.4 | 95.6 | 0 | 0 | 0 | 110.5 | | |
| 692 | P | 36.8 | Very low | 30.7 | Very low | 121 Ų | 121 | 142.5 Ų | 142.5 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 131.2 | 156.2 | 29.2 | -27.3 | 0 | 0 | 0 | 111.4 | | |
| 693 | H | 27.5 | Very low | 30.6 | Very low | 155 Ų | 155 | 141.6 Ų | 141.6 | 72% | 0.718 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 143.9 | 177.7 | -77.2 | -88.8 | 0 | 0 | 0 | 114.3 | | |
| 694 | S | 30.5 | Very low | 30.5 | Very low | 126 Ų | 126 | 144.2 Ų | 144.2 | 88% | 0.881 | 79% | 0.785 | S | S | * | * | | | trans | -155.1 | 124 | 141.9 | -80 | 0 | 0 | 0 | 0 | 110.4 | | |
| 695 | F | 28.1 | Very low | 30.5 | Very low | 187 Ų | 187 | 141.9 Ų | 141.9 | 82% | 0.82 | 78% | 0.781 | S | S | * | * | | | trans | -77.6 | 146.6 | -177.4 | -73 | -101.6 | 0 | 0 | 0 | 111.7 | | |
| 696 | S | 31.2 | Very low | 30.2 | Very low | 113 Ų | 113 | 144.8 Ų | 144.8 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | | | | -175.8 | 140.7 | 127.5 | -161.8 | 0 | 0 | 0 | 0 | 113.2 | | |
| 697 | S | 31.3 | Very low | 30.5 | Very low | 111 Ų | 111 | 145.5 Ų | 145.5 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | | | trans | 66.3 | 97.7 | 164 | 63.3 | 0 | 0 | 0 | 0 | 120.4 | | |
| 698 | S | 26.7 | Very low | 30.5 | Very low | 102 Ų | 102 | 142.7 Ų | 142.7 | 71% | 0.713 | 78% | 0.784 | S | S | * | * | | | trans | -55.1 | 147.1 | 152.9 | 54.3 | 0 | 0 | 0 | 0 | 114.9 | | |
| 699 | T | 31 | Very low | 30.5 | Very low | 119 Ų | 119 | 147.9 Ų | 147.9 | 73% | 0.73 | 79% | 0.792 | S | S | * | * | | | | 178 | 127.3 | 105.6 | 23 | 0 | 0 | 0 | 0 | 112.2 | | |
| 700 | K | 29.6 | Very low | 30.2 | Very low | 185 Ų | 185 | 144.8 Ų | 144.8 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | | | trans | 43.3 | 138.8 | 131.8 | -60.4 | -175.3 | 175.7 | 179.5 | 0 | 118.5 | | |
| 701 | L | 27.4 | Very low | 30.3 | Very low | 133 Ų | 133 | 143.2 Ų | 143.2 | 70% | 0.696 | 78% | 0.783 | S | S | * | * | | | cis | -173.1 | 131.3 | 9.6 | -138.8 | 95.9 | 0 | 0 | 0 | 105.9 | | |
| 702 | I | 27.8 | Very low | 30.4 | Very low | 134 Ų | 134 | 143.3 Ų | 143.3 | 69% | 0.687 | 78% | 0.779 | S | S | * | * | | | trans | 48.1 | 110.3 | 135.5 | -52 | 170.3 | 0 | 0 | 0 | 120 | | |
| 703 | T | 29.1 | Very low | 30.2 | Very low | 142 Ų | 142 | 145.6 Ų | 145.6 | 87% | 0.871 | 79% | 0.785 | S | S | * | * | | | trans | -141.3 | 99.2 | 139.5 | 20.5 | 0 | 0 | 0 | 0 | 106.7 | | |
| 704 | Q | 30.8 | Very low | 30.6 | Very low | 162 Ų | 162 | 145.2 Ų | 145.2 | 76% | 0.757 | 79% | 0.787 | S | S | * | * | | | | 40.9 | 123 | 101.5 | -78.2 | -161.4 | -7.9 | 0 | 0 | 117.2 | | |
| 705 | N | 29.9 | Very low | 30.6 | Very low | 134 Ų | 134 | 145 Ų | 145 | 72% | 0.717 | 79% | 0.786 | S | S | * | * | | | trans | 83.9 | 91.9 | 150.6 | -65.4 | -9 | 0 | 0 | 0 | 120 | L707 | N705-L707 PolarHBondContact O-N 3.18Š|
| 706 | N | 30.4 | Very low | 30.7 | Very low | 168 Ų | 168 | 140.8 Ų | 140.8 | 90% | 0.898 | 78% | 0.779 | S | S | * | * | | | trans | -28.1 | 109.2 | 144.5 | -61.9 | -29.7 | 0 | 0 | 0 | 113.9 | | |
| 707 | L | 36.2 | Very low | 30.5 | Very low | 147 Ų | 147 | 140.9 Ų | 140.9 | 77% | 0.77 | 78% | 0.779 | S | S | * | * | | | trans | -130 | 122.6 | 152.2 | -94 | 104.8 | 0 | 0 | 0 | 109.7 | N705 | N705-L707 PolarHBondContact O-N 3.18Š|
| 708 | S | 31.1 | Very low | 30.3 | Very low | 104 Ų | 104 | 142.2 Ų | 142.2 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | | | trans | 47.1 | 89.4 | 132.9 | -39.7 | 0 | 0 | 0 | 0 | 117.2 | T710 | S708-T710 PolarHBondContact O-N 3.37Š|
| 709 | Y | 29.2 | Very low | 30.7 | Very low | 233 Ų | 233 | 143.1 Ų | 143.1 | 91% | 0.914 | 78% | 0.781 | S | S | * | * | | | trans | -77.9 | 91.6 | 174.9 | -133 | -92.1 | 0 | 0 | 0 | 110.6 | | |
| 710 | T | 29.1 | Very low | 30.7 | Very low | 125 Ų | 125 | 143.5 Ų | 143.5 | 77% | 0.767 | 78% | 0.783 | S | S | * | * | | | trans | -140.2 | 87.6 | 155 | 50.6 | 0 | 0 | 0 | 0 | 107.1 | S708 | S708-T710 PolarHBondContact O-N 3.37Š|
| 711 | D | 30.9 | Very low | 30.8 | Very low | 146 Ų | 146 | 141.1 Ų | 141.1 | 78% | 0.781 | 78% | 0.778 | S | S | * | * | | | trans | -145.5 | 127 | 154 | -98.7 | -30.4 | 0 | 0 | 0 | 110.8 | | |
| 712 | E | 34.5 | Very low | 31 | Very low | 162 Ų | 162 | 140.5 Ų | 140.5 | 76% | 0.757 | 78% | 0.779 | S | S | * | * | | | trans | -22.4 | 123.8 | 165.4 | -58.6 | -178.4 | 161.9 | 0 | 0 | 113.3 | L714 | E712-L714 PolarHBondContact O-N 3.2Š|
| 713 | N | 31.2 | Very low | 31.2 | Very low | 170 Ų | 170 | 140 Ų | 140 | 91% | 0.909 | 78% | 0.778 | S | S | * | * | | | trans | -58.9 | 86.7 | 158.7 | -83.5 | -42.2 | 0 | 0 | 0 | 108.5 | S715 | N713-S715 VanDerWaalsContact C-N 3.25Å; N713-S715 PolarHBondContact O-N 3.04Å |
| 714 | L | 35.9 | Very low | 31.3 | Very low | 146 Ų | 146 | 138 Ų | 138 | 76% | 0.764 | 77% | 0.77 | S | S | * | * | | | trans | -57.8 | 93.5 | 157.9 | -77.8 | 158.1 | 0 | 0 | 0 | 107.2 | E712 S716 | E712-L714 PolarHBondContact O-N 3.2Å; L714-S716 PolarHBondContact O-N 3.24Å |
| 715 | S | 31.2 | Very low | 31.4 | Very low | 121 Ų | 121 | 138.1 Ų | 138.1 | 85% | 0.846 | 77% | 0.768 | S | S | * | * | | | trans | -61.5 | 83 | 156.6 | 178.4 | 0 | 0 | 0 | 0 | 107.8 | N713 | N713-S715 VanDerWaalsContact C-N 3.25Å; N713-S715 PolarHBondContact O-N 3.04Å |
| 716 | S | 29.3 | Very low | 31.7 | Very low | 99 Ų | 99 | 136.9 Ų | 136.9 | 69% | 0.692 | 77% | 0.767 | S | S | * | * | | | trans | -95.4 | 98.9 | 168.2 | 60.8 | 0 | 0 | 0 | 0 | 107.9 | L714 | L714-S716 PolarHBondContact O-N 3.24Š|
| 717 | C | 27.5 | Very low | 31.7 | Very low | 116 Ų | 116 | 136.3 Ų | 136.3 | 78% | 0.784 | 76% | 0.763 | S | S | * | * | | | trans | -157.8 | 121.8 | 156.4 | -97.4 | 0 | 0 | 0 | 0 | 111 | | |
| 718 | N | 28.5 | Very low | 31.7 | Very low | 139 Ų | 139 | 137.9 Ų | 137.9 | 74% | 0.743 | 76% | 0.763 | S | S | * | * | | | trans | 76.5 | 92.3 | 164 | -64.8 | -24.5 | 0 | 0 | 0 | 118 | V720 | N718-V720 PolarHBondContact O-N 2.98Š|
| 719 | P | 34.4 | Very low | 32 | Very low | 121 Ų | 121 | 137 Ų | 137 | 79% | 0.786 | 76% | 0.757 | S | S | * | * | | | trans | -54 | 106.2 | 147 | 26.2 | -34.1 | 0 | 0 | 0 | 108.2 | I721 | P719-I721 PolarHBondContact O-N 2.86Š|
| 720 | V | 30.7 | Very low | 32.3 | Very low | 126 Ų | 126 | 132.5 Ų | 132.5 | 76% | 0.764 | 75% | 0.747 | S | S | * | * | | | trans | -58.8 | 109.8 | 161.3 | 171.3 | 0 | 0 | 0 | 0 | 105.4 | N718 T722 | N718-V720 PolarHBondContact O-N 2.98Å; V720-T722 VanDerWaalsContact C-N 3.29Å; V720-T722 PolarHBondContact O-N 2.81Å |
| 721 | I | 32.9 | Very low | 32.6 | Very low | 136 Ų | 136 | 133.4 Ų | 133.4 | 70% | 0.697 | 75% | 0.747 | S | S | * | * | | | trans | -44.7 | 99.2 | 169.3 | -62.1 | 165.7 | 0 | 0 | 0 | 106.2 | P719 N723 | P719-I721 PolarHBondContact O-N 2.86Å; I721-N723 PolarHBondContact O-N 2.7Å |
| 722 | T | 30.9 | Very low | 32.8 | Very low | 120 Ų | 120 | 134.9 Ų | 134.9 | 74% | 0.736 | 75% | 0.746 | S | S | * | * | | | trans | -64.2 | 101.7 | 158.8 | 43.2 | 0 | 0 | 0 | 0 | 103.4 | V720 S724 | V720-T722 VanDerWaalsContact C-N 3.29Å; V720-T722 PolarHBondContact O-N 2.81Å; T722-S724 PolarHBondContact O-N 3.38Å |
| 723 | N | 31.9 | Very low | 32.7 | Very low | 122 Ų | 122 | 137.9 Ų | 137.9 | 65% | 0.652 | 75% | 0.751 | S | S | * | * | | | trans | -58 | 80.5 | 157 | -85.4 | -28.5 | 0 | 0 | 0 | 106.2 | I721 F725 | I721-N723 PolarHBondContact O-N 2.7Å; N723-F725 HydrophobicContact CB-CD2 3.96Å; N723-F725 HydrophobicContact CB-CE2 3.87Å; N723-F725 PolarHBondContact O-N 2.82Å |
| 724 | S | 30.3 | Very low | 32.9 | Very low | 100 Ų | 100 | 135.3 Ų | 135.3 | 70% | 0.699 | 74% | 0.744 | S | S | * | * | | | trans | -65.9 | 78.6 | 157.5 | 49.4 | 0 | 0 | 0 | 0 | 104.9 | T722 P726 | T722-S724 PolarHBondContact O-N 3.38Å; S724-P726 WeakPolarHBondContact O-CD 3.47Å |
| 725 | F | 32.6 | Very low | 32.8 | Very low | 166 Ų | 166 | 137.7 Ų | 137.7 | 73% | 0.728 | 75% | 0.748 | S | S | * | * | | | trans | -64.9 | 114.6 | 153.6 | -77.3 | -77.3 | 0 | 0 | 0 | 105 | N723 I727 | N723-F725 HydrophobicContact CB-CD2 3.96Å; N723-F725 HydrophobicContact CB-CE2 3.87Å; N723-F725 PolarHBondContact O-N 2.82Å; F725-I727 PolarHBondContact O-N 3.32Å |
| 726 | P | 36.4 | Very low | 32.9 | Very low | 108 Ų | 108 | 136.6 Ų | 136.6 | 70% | 0.701 | 74% | 0.74 | S | S | * | * | | | trans | -61 | 107.1 | 172.2 | 24.5 | -31.1 | 0 | 0 | 0 | 106.2 | S724 K728 | S724-P726 WeakPolarHBondContact O-CD 3.47Å; P726-K728 PolarHBondContact O-N 2.63Å |
| 727 | I | 31.9 | Very low | 33.1 | Very low | 155 Ų | 155 | 141.6 Ų | 141.6 | 80% | 0.795 | 75% | 0.75 | S | S | * | * | | | trans | -62.2 | 96.3 | 161.2 | -61.7 | 174.6 | 0 | 0 | 0 | 103.4 | F725 S729 | F725-I727 PolarHBondContact O-N 3.32Å; I727-S729 PolarHBondContact O-N 3.01Å |
| 728 | K | 36.2 | Very low | 33.4 | Very low | 180 Ų | 180 | 142.2 Ų | 142.2 | 78% | 0.783 | 75% | 0.75 | S | S | * | * | | | trans | -56.4 | 92.4 | 160.3 | -72.8 | -179.8 | 179 | 178.5 | 0 | 104.4 | P726 I730 | P726-K728 PolarHBondContact O-N 2.63Å; K728-I730 PolarHBondContact O-N 3.2Å |
| 729 | S | 36.5 | Very low | 33.7 | Very low | 87 Ų | 87 | 144.4 Ų | 144.4 | 61% | 0.608 | 75% | 0.752 | S | S | * | * | | | trans | -64.9 | 93.5 | 164.9 | 61.6 | 0 | 0 | 0 | 0 | 104.4 | I727 L731 | I727-S729 PolarHBondContact O-N 3.01Å; S729-L731 PolarHBondContact O-N 2.97Å |
| 730 | I | 35.5 | Very low | 33.7 | Very low | 137 Ų | 137 | 143.9 Ų | 143.9 | 70% | 0.703 | 75% | 0.749 | S | S | * | * | | | trans | -70.1 | 69.1 | 160.3 | -53.3 | 170.8 | 0 | 0 | 0 | 104.1 | K728 K732 | K728-I730 PolarHBondContact O-N 3.2Å; I730-K732 HydrophobicContact CG2-CG 3.9Å; I730-K732 PolarHBondContact O-N 3.2Å |
| 731 | L | 36.1 | Very low | 33.6 | Very low | 144 Ų | 144 | 146.4 Ų | 146.4 | 75% | 0.754 | 75% | 0.753 | S | S | * | * | | | trans | -63.9 | 86.4 | 154.7 | -101.5 | 131.3 | 0 | 0 | 0 | 103.8 | S729 R733 | S729-L731 PolarHBondContact O-N 2.97Å; L731-R733 PolarHBondContact O-N 3.18Å |
| 732 | K | 35.7 | Very low | 33.5 | Very low | 177 Ų | 177 | 146.1 Ų | 146.1 | 77% | 0.77 | 76% | 0.757 | S | S | * | * | | | trans | -51.6 | 102.6 | 160.5 | -74 | -174.7 | 177.7 | 176.3 | 0 | 104.5 | I730 P734 | I730-K732 HydrophobicContact CG2-CG 3.9Å; I730-K732 PolarHBondContact O-N 3.2Å; K732-P734 VanDerWaalsContact O-CD 3.26Å; K732-P734 WeakPolarHBondContact O-CD 3.44Å |
| 733 | R | 30.9 | Very low | 33.5 | Very low | 225 Ų | 225 | 147 Ų | 147 | 85% | 0.849 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -49.1 | 118.3 | 167.9 | -81.7 | -179.8 | 177 | 147.5 | -1.4 | 105.7 | L731 K735 | L731-R733 PolarHBondContact O-N 3.18Å; R733-K735 PolarHBondContact O-N 3.4Å; R733-K735 VanDerWaalsContact O-N 3.12Å |
| 734 | P | 35.1 | Very low | 33.4 | Very low | 117 Ų | 117 | 146.4 Ų | 146.4 | 76% | 0.76 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 125.1 | 166.2 | 19.1 | -24.9 | 0 | 0 | 0 | 105.9 | K732 S736 | K732-P734 VanDerWaalsContact O-CD 3.26Å; K732-P734 WeakPolarHBondContact O-CD 3.44Å; P734-S736 PolarHBondContact O-N 3.36Å |
| 735 | K | 35.1 | Very low | 33.4 | Very low | 195 Ų | 195 | 151.3 Ų | 151.3 | 85% | 0.848 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -46.3 | 120.8 | 175.9 | -75.8 | 178.7 | 173.8 | -179.1 | 0 | 106.9 | R733 F737 | R733-K735 PolarHBondContact O-N 3.4Å; R733-K735 VanDerWaalsContact O-N 3.12Å; K735-F737 PolarHBondContact O-N 3.49Å |
| 736 | S | 33.3 | Very low | 33.4 | Very low | 99 Ų | 99 | 147.4 Ų | 147.4 | 69% | 0.692 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 118.9 | 168.9 | 54.5 | 0 | 0 | 0 | 0 | 106.8 | P734 V738 | P734-S736 PolarHBondContact O-N 3.36Å; S736-V738 VanDerWaalsContact C-N 3.32Å; S736-V738 PolarHBondContact O-N 3.11Å |
| 737 | F | 32.8 | Very low | 33.1 | Very low | 203 Ų | 203 | 147.3 Ų | 147.3 | 89% | 0.89 | 77% | 0.773 | S | S | * | * | | | trans | -59.8 | 104.8 | 166.7 | -77.5 | -89.7 | 0 | 0 | 0 | 106.3 | K735 K739 | K735-F737 PolarHBondContact O-N 3.49Å; F737-K739 PolarHBondContact O-N 3.04Å |
| 738 | V | 33.2 | Very low | 33 | Very low | 129 Ų | 129 | 147 Ų | 147 | 78% | 0.782 | 77% | 0.773 | S | S | * | * | | | trans | -59 | 108.9 | 163.6 | 176.4 | 0 | 0 | 0 | 0 | 104.4 | S736 | S736-V738 VanDerWaalsContact C-N 3.32Å; S736-V738 PolarHBondContact O-N 3.11Å |
| 739 | K | 36.2 | Very low | 32.7 | Very low | 185 Ų | 185 | 147.8 Ų | 147.8 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | | | trans | -53.3 | 128.9 | 168.2 | -99.1 | 177.7 | 173.1 | 178.2 | 0 | 106.6 | F737 Q741 | F737-K739 PolarHBondContact O-N 3.04Å; K739-Q741 PolarHBondContact O-N 3.16Å |
| 740 | P | 34.6 | Very low | 32.3 | Very low | 111 Ų | 111 | 149.3 Ų | 149.3 | 72% | 0.721 | 78% | 0.782 | S | S | * | * | | | trans | -55.7 | 118.6 | 170.9 | 21.8 | -29.4 | 0 | 0 | 0 | 107.6 | T742 | P740-T742 VanDerWaalsContact C-N 3.31Å; P740-T742 PolarHBondContact O-N 3Å |
| 741 | Q | 27.9 | Very low | 32.1 | Very low | 178 Ų | 178 | 147.6 Ų | 147.6 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | | | trans | -68.2 | 97.7 | 170.4 | -152.5 | 175.4 | 10.3 | 0 | 0 | 104.7 | K739 D743 | K739-Q741 PolarHBondContact O-N 3.16Å; Q741-D743 PolarHBondContact O-N 3.45Å |
| 742 | T | 31.2 | Very low | 31.7 | Very low | 130 Ų | 130 | 147.8 Ų | 147.8 | 80% | 0.798 | 78% | 0.784 | S | S | * | * | | | trans | -70.6 | 102.7 | 173.3 | -45.9 | 0 | 0 | 0 | 0 | 106.3 | P740 S744 | P740-T742 VanDerWaalsContact C-N 3.31Å; P740-T742 PolarHBondContact O-N 3Å; T742-S744 PolarHBondContact O-N 3.47Å |
| 743 | D | 31.4 | Very low | 31.4 | Very low | 138 Ų | 138 | 145.6 Ų | 145.6 | 74% | 0.738 | 79% | 0.785 | S | S | * | * | | | trans | -57.3 | 105.6 | 171.5 | -77.6 | -31.7 | 0 | 0 | 0 | 108.7 | Q741 K745 | Q741-D743 PolarHBondContact O-N 3.45Å; D743-K745 VanDerWaalsContact C-N 3.26Å; D743-K745 PolarHBondContact O-N 3.49Å |
| 744 | S | 29.5 | Very low | 31.2 | Very low | 111 Ų | 111 | 140.7 Ų | 140.7 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | | | trans | -67.7 | 83.8 | 171.8 | 57.8 | 0 | 0 | 0 | 0 | 109.1 | T742 A746 | T742-S744 PolarHBondContact O-N 3.47Å; S744-A746 PolarHBondContact O-N 3.34Å; S744-A746 VanDerWaalsContact O-N 3.11Å |
| 745 | K | 29.9 | Very low | 30.8 | Very low | 202 Ų | 202 | 141.4 Ų | 141.4 | 88% | 0.878 | 78% | 0.782 | S | S | * | * | | | trans | -78.5 | 83.2 | 155.3 | -82.2 | -169.9 | 177.1 | -178.9 | 0 | 108.1 | D743 S747 | D743-K745 VanDerWaalsContact C-N 3.26Å; D743-K745 PolarHBondContact O-N 3.49Å; K745-S747 PolarHBondContact O-N 3.15Å |
| 746 | A | 31.4 | Very low | 30.6 | Very low | 85 Ų | 85 | 139.5 Ų | 139.5 | 70% | 0.702 | 78% | 0.781 | S | S | * | * | | | trans | -63.3 | 96.1 | 162.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | S744 N748 | S744-A746 PolarHBondContact O-N 3.34Å; S744-A746 VanDerWaalsContact O-N 3.11Å; A746-N748 PolarHBondContact O-N 3.01Å |
| 747 | S | 30.2 | Very low | 30.4 | Very low | 106 Ų | 106 | 138.8 Ų | 138.8 | 74% | 0.741 | 78% | 0.781 | S | S | * | * | | | trans | -84.2 | 98.5 | 165 | 76.9 | 0 | 0 | 0 | 0 | 107.9 | K745 K749 | K745-S747 PolarHBondContact O-N 3.15Å; S747-K749 PolarHBondContact O-N 2.9Å |
| 748 | N | 31.1 | Very low | 30.3 | Very low | 149 Ų | 149 | 137.5 Ų | 137.5 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | | | trans | -60.3 | 98.1 | 167.6 | -71 | -23.4 | 0 | 0 | 0 | 108.6 | A746 | A746-N748 PolarHBondContact O-N 3.01Š|
| 749 | K | 28.4 | Very low | 30.1 | Very low | 195 Ų | 195 | 138.5 Ų | 138.5 | 85% | 0.848 | 78% | 0.784 | S | S | * | * | | | trans | -99.3 | 88.4 | 165.8 | -133.2 | 179 | -174.9 | -177.7 | 0 | 107.3 | S747 S751 | S747-K749 PolarHBondContact O-N 2.9Å; K749-S751 VanDerWaalsContact C-N 3.31Å; K749-S751 PolarHBondContact O-N 3.13Å |
| 750 | T | 29.9 | Very low | 29.6 | Very low | 119 Ų | 119 | 132.7 Ų | 132.7 | 73% | 0.73 | 78% | 0.777 | S | S | * | * | | | trans | -62.3 | 90.9 | 169.4 | -40.7 | 0 | 0 | 0 | 0 | 108 | N752 | T750-N752 PolarHBondContact O-N 3.38Š|
| 751 | S | 30.3 | Very low | 29.1 | Very low | 101 Ų | 101 | 133.4 Ų | 133.4 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | | | trans | -86.3 | 100 | 169.6 | 47.7 | 0 | 0 | 0 | 0 | 108.5 | K749 V753 | K749-S751 VanDerWaalsContact C-N 3.31Å; K749-S751 PolarHBondContact O-N 3.13Å; S751-V753 PolarHBondContact O-N 3.14Å |
| 752 | N | 27.8 | Very low | 29.1 | Very low | 149 Ų | 149 | 130 Ų | 130 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | | | trans | -53.5 | 116.2 | 160.9 | -66.8 | -27.9 | 0 | 0 | 0 | 108.5 | T750 | T750-N752 PolarHBondContact O-N 3.38Š|
| 753 | V | 29.8 | Very low | 28.9 | Very low | 130 Ų | 130 | 131 Ų | 131 | 79% | 0.788 | 77% | 0.773 | S | S | * | * | | | trans | -125.4 | 118.6 | 162.9 | 179.7 | 0 | 0 | 0 | 0 | 108 | S751 | S751-V753 PolarHBondContact O-N 3.14Š|
| 754 | T | 26.3 | Very low | 28.8 | Very low | 122 Ų | 122 | 133.3 Ų | 133.3 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | | | trans | -68.9 | 140.4 | -173 | -26.3 | 0 | 0 | 0 | 0 | 111.1 | N756 | T754-N756 PolarHBondContact O-N 2.86Š|
| 755 | V | 27 | Very low | 28.7 | Very low | 133 Ų | 133 | 134.1 Ų | 134.1 | 81% | 0.806 | 77% | 0.769 | S | S | * | * | | | trans | -75.4 | 105.8 | 179.5 | -174.4 | 0 | 0 | 0 | 0 | 108.6 | A757 | V755-A757 PolarHBondContact O-N 3.16Š|
| 756 | N | 30.9 | Very low | 28.6 | Very low | 155 Ų | 155 | 129.3 Ų | 129.3 | 83% | 0.829 | 76% | 0.756 | S | S | * | * | | | trans | -87.2 | 105.5 | 164.3 | -78.6 | -3.6 | 0 | 0 | 0 | 108 | T754 E758 | T754-N756 PolarHBondContact O-N 2.86Å; N756-E758 PolarHBondContact O-N 2.97Å |
| 757 | A | 28.5 | Very low | 28.5 | Very low | 83 Ų | 83 | 132 Ų | 132 | 69% | 0.686 | 76% | 0.759 | S | S | * | * | | | trans | -66.5 | 122 | 165.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | V755 | V755-A757 PolarHBondContact O-N 3.16Š|
| 758 | E | 30.1 | Very low | 28.3 | Very low | 177 Ų | 177 | 135.4 Ų | 135.4 | 83% | 0.827 | 76% | 0.763 | S | S | * | * | S | Bend | trans | 151.4 | 104.2 | 150.8 | -84.9 | 168.2 | -173.5 | 0 | 0 | 108.5 | N756 | N756-E758 PolarHBondContact O-N 2.97Š|
| 759 | T | 29.7 | Very low | 28.3 | Very low | 149 Ų | 149 | 134.4 Ų | 134.4 | 91% | 0.914 | 76% | 0.763 | S | S | * | * | S | Bend | trans | 49.9 | 78.3 | 154.4 | 44.3 | 0 | 0 | 0 | 0 | 116.7 | | |
| 760 | G | 26.5 | Very low | 28.2 | Very low | 63 Ų | 63 | 127.7 Ų | 127.7 | 65% | 0.649 | 75% | 0.749 | S | S | * | * | | | trans | -168.7 | 101.1 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | T762 | G760-T762 PolarHBondContact O-N 3.42Š|
| 761 | C | 22.9 | Very low | 28.1 | Very low | 126 Ų | 126 | 128.7 Ų | 128.7 | 85% | 0.851 | 75% | 0.749 | S | S | * | * | | | trans | -46.9 | 101.1 | 174.5 | -158 | 0 | 0 | 0 | 0 | 109.5 | I763 | C761-I763 VanDerWaalsContact C-N 3.31Å; C761-I763 PolarHBondContact O-N 2.9Å |
| 762 | T | 28.8 | Very low | 28 | Very low | 106 Ų | 106 | 129.3 Ų | 129.3 | 65% | 0.65 | 75% | 0.748 | S | S | * | * | | | trans | -62.7 | 101.2 | 167.8 | 14.3 | 0 | 0 | 0 | 0 | 106.2 | G760 Y764 | G760-T762 PolarHBondContact O-N 3.42Å; T762-Y764 WeakPolarHBondContact O-CD2 3.42Å; T762-Y764 PolarHBondContact O-N 3.24Å |
| 763 | I | 26.4 | Very low | 28.1 | Very low | 152 Ų | 152 | 130.7 Ų | 130.7 | 78% | 0.779 | 75% | 0.748 | S | S | * | * | | | trans | -58.4 | 98.1 | 163.7 | -62.2 | 171.9 | 0 | 0 | 0 | 104.7 | C761 N765 | C761-I763 VanDerWaalsContact C-N 3.31Å; C761-I763 PolarHBondContact O-N 2.9Å; I763-N765 PolarHBondContact O-N 2.83Å |
| 764 | Y | 29.2 | Very low | 28 | Very low | 187 Ų | 187 | 134 Ų | 134 | 73% | 0.733 | 75% | 0.748 | S | S | * | * | | | trans | -59.4 | 96 | 166.2 | -76.8 | -84.7 | 0 | 0 | 0 | 106.1 | T762 T766 | T762-Y764 WeakPolarHBondContact O-CD2 3.42Å; T762-Y764 PolarHBondContact O-N 3.24Å; Y764-T766 PolarHBondContact O-N 3.46Å; Y764-T766 PolarHBondContact O-OG1 3.41Å |
| 765 | N | 26.8 | Very low | 28.1 | Very low | 127 Ų | 127 | 134.6 Ų | 134.6 | 68% | 0.679 | 75% | 0.746 | S | S | * | * | | | trans | -72.5 | 72.2 | 165.3 | -156.2 | -3.4 | 0 | 0 | 0 | 106.5 | I763 N767 | I763-N765 PolarHBondContact O-N 2.83Å; N765-N767 PolarHBondContact O-N 3.26Å; N765-N767 PolarHBondContact OD1-ND2 3.44Å |
| 766 | T | 29.4 | Very low | 28.2 | Very low | 101 Ų | 101 | 133.8 Ų | 133.8 | 62% | 0.62 | 74% | 0.742 | S | S | * | * | | | trans | -72.5 | 63.8 | 173.3 | 38.2 | 0 | 0 | 0 | 0 | 109.4 | Y764 Q768 | Y764-T766 PolarHBondContact O-N 3.46Å; Y764-T766 PolarHBondContact O-OG1 3.41Å; T766-Q768 PolarHBondContact O-N 3.24Å |
| 767 | N | 27.4 | Very low | 28.1 | Very low | 142 Ų | 142 | 132.6 Ų | 132.6 | 76% | 0.759 | 74% | 0.735 | S | S | * | * | | | trans | -85.2 | 33.4 | 161.1 | -74.9 | -24.9 | 0 | 0 | 0 | 110.8 | N765 | N765-N767 PolarHBondContact O-N 3.26Å; N765-N767 PolarHBondContact OD1-ND2 3.44Å |
| 768 | Q | 26.8 | Very low | 28.2 | Very low | 178 Ų | 178 | 135.7 Ų | 135.7 | 83% | 0.832 | 74% | 0.74 | S | S | * | * | | | trans | -144 | 48.3 | 178.4 | -134.2 | 177.7 | 29.3 | 0 | 0 | 111 | T766 G770 | T766-Q768 PolarHBondContact O-N 3.24Å; Q768-G770 PolarHBondContact O-N 2.89Å |
| 769 | T | 31.4 | Very low | 28 | Very low | 128 Ų | 128 | 136.5 Ų | 136.5 | 79% | 0.785 | 74% | 0.744 | S | S | * | * | | | trans | -74.8 | 68.3 | 143.8 | 44.8 | 0 | 0 | 0 | 0 | 107.4 | L771 | T769-L771 PolarHBondContact O-N 2.98Å; T769-L771 VanDerWaalsContact O-N 3.15Å |
| 770 | G | 25.7 | Very low | 28.1 | Very low | 54 Ų | 54 | 137.5 Ų | 137.5 | 56% | 0.557 | 74% | 0.739 | S | S | * | * | | | trans | -51.9 | 122.3 | 157 | 0 | 0 | 0 | 0 | 0 | 106.1 | Q768 T772 | Q768-G770 PolarHBondContact O-N 2.89Å; G770-T772 PolarHBondContact O-N 3.09Å |
| 771 | L | 28 | Very low | 28.2 | Very low | 139 Ų | 139 | 141.5 Ų | 141.5 | 73% | 0.728 | 75% | 0.751 | S | S | * | * | | | trans | -48.8 | 106.7 | 171 | -87.2 | 96.1 | 0 | 0 | 0 | 107.6 | T769 F773 | T769-L771 PolarHBondContact O-N 2.98Å; T769-L771 VanDerWaalsContact O-N 3.15Å; L771-F773 HydrophobicContact CB-CD2 4.43Å; L771-F773 HydrophobicContact CB-CE2 4.13Å; L771-F773 HydrophobicContact CB-CZ 4.41Å; L771-F773 WeakPolarHBondContact O-CD2 3.37Å; L771-F773 PolarHBondContact O-N 2.69Å |
| 772 | T | 28 | Very low | 28.5 | Very low | 114 Ų | 114 | 139.6 Ų | 139.6 | 70% | 0.699 | 74% | 0.738 | S | S | * | * | | | trans | -63 | 94.5 | 157.7 | 6.7 | 0 | 0 | 0 | 0 | 105.2 | G770 Y774 | G770-T772 PolarHBondContact O-N 3.09Å; T772-Y774 PolarHBondContact O-N 3Å |
| 773 | F | 30.6 | Very low | 28.5 | Very low | 178 Ų | 178 | 139.5 Ų | 139.5 | 78% | 0.781 | 74% | 0.742 | S | S | * | * | | | trans | -60.3 | 99.8 | 160.8 | -68.2 | -84.4 | 0 | 0 | 0 | 105.6 | L771 N775 | L771-F773 HydrophobicContact CB-CD2 4.43Å; L771-F773 HydrophobicContact CB-CE2 4.13Å; L771-F773 HydrophobicContact CB-CZ 4.41Å; L771-F773 WeakPolarHBondContact O-CD2 3.37Å; L771-F773 PolarHBondContact O-N 2.69Å; F773-N775 VanDerWaalsContact C-N 3.35Å; F773-N775 PolarHBondContact O-N 3.36Å |
| 774 | Y | 27.8 | Very low | 28.6 | Very low | 200 Ų | 200 | 138.9 Ų | 138.9 | 78% | 0.784 | 74% | 0.739 | S | S | * | * | | | trans | -55.2 | 110.7 | 162.5 | -77.2 | -84.2 | 0 | 0 | 0 | 106.2 | T772 T776 | T772-Y774 PolarHBondContact O-N 3Å; Y774-T776 PolarHBondContact O-N 3.45Å; Y774-T776 PolarHBondContact O-OG1 3.19Å |
| 775 | N | 27.4 | Very low | 28.7 | Very low | 134 Ų | 134 | 140.2 Ų | 140.2 | 72% | 0.717 | 74% | 0.743 | S | S | * | * | | | trans | -71.5 | 72.3 | 175.2 | -161.9 | 14.2 | 0 | 0 | 0 | 107 | F773 N777 | F773-N775 VanDerWaalsContact C-N 3.35Å; F773-N775 PolarHBondContact O-N 3.36Å; N775-N777 VanDerWaalsContact C-N 3.27Å; N775-N777 PolarHBondContact O-N 3.13Å |
| 776 | T | 30.8 | Very low | 29.1 | Very low | 117 Ų | 117 | 139.8 Ų | 139.8 | 72% | 0.718 | 75% | 0.747 | S | S | * | * | | | trans | -74.2 | 91.4 | 169.3 | 18.2 | 0 | 0 | 0 | 0 | 107.3 | Y774 N778 | Y774-T776 PolarHBondContact O-N 3.45Å; Y774-T776 PolarHBondContact O-OG1 3.19Å; T776-N778 PolarHBondContact O-N 3.07Å |
| 777 | N | 28.8 | Very low | 29 | Very low | 129 Ų | 129 | 143.3 Ų | 143.3 | 69% | 0.69 | 75% | 0.754 | S | S | * | * | | | trans | -60.9 | 59.7 | 166.9 | -78.8 | -31.1 | 0 | 0 | 0 | 111.9 | N775 | N775-N777 VanDerWaalsContact C-N 3.27Å; N775-N777 PolarHBondContact O-N 3.13Å |
| 778 | N | 28.7 | Very low | 29.2 | Very low | 148 Ų | 148 | 141.4 Ų | 141.4 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | | | trans | -109.5 | 88.2 | 163.7 | -76 | -5.2 | 0 | 0 | 0 | 107.8 | T776 E780 | T776-N778 PolarHBondContact O-N 3.07Å; N778-E780 VanDerWaalsContact C-N 3.28Å; N778-E780 PolarHBondContact O-N 3.05Å |
| 779 | Q | 26.8 | Very low | 29.3 | Very low | 195 Ų | 195 | 136.6 Ų | 136.6 | 91% | 0.911 | 74% | 0.742 | S | S | * | * | | | trans | -55.2 | 91.8 | 159.7 | -74.3 | 179 | -14.8 | 0 | 0 | 109.3 | | |
| 780 | E | 32 | Very low | 29.3 | Very low | 170 Ų | 170 | 138 Ų | 138 | 79% | 0.794 | 75% | 0.745 | S | S | * | * | | | trans | -129.9 | 94.7 | 149 | -75.3 | -168.5 | 171.1 | 0 | 0 | 107.5 | N778 S782 | N778-E780 VanDerWaalsContact C-N 3.28Å; N778-E780 PolarHBondContact O-N 3.05Å; E780-S782 PolarHBondContact O-N 3.41Å |
| 781 | T | 28.5 | Very low | 29.6 | Very low | 147 Ų | 147 | 138.8 Ų | 138.8 | 90% | 0.902 | 74% | 0.742 | S | S | * | * | | | trans | -63.4 | 67 | 165.2 | 49.8 | 0 | 0 | 0 | 0 | 109.4 | S783 | T781-S783 PolarHBondContact O-N 2.83Š|
| 782 | S | 28.8 | Very low | 29.6 | Very low | 85 Ų | 85 | 143.3 Ų | 143.3 | 59% | 0.594 | 75% | 0.75 | S | S | * | * | | | trans | -79.5 | 98.8 | 161.8 | 57.4 | 0 | 0 | 0 | 0 | 106.5 | E780 I784 | E780-S782 PolarHBondContact O-N 3.41Å; S782-I784 VanDerWaalsContact C-N 3.27Å; S782-I784 PolarHBondContact O-N 3.12Å |
| 783 | S | 28.9 | Very low | 29.7 | Very low | 105 Ų | 105 | 147.9 Ų | 147.9 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | | | trans | -52.7 | 95.3 | 163.4 | 141.5 | 0 | 0 | 0 | 0 | 107.7 | T781 R785 | T781-S783 PolarHBondContact O-N 2.83Å; S783-R785 VanDerWaalsContact C-N 3.29Å; S783-R785 PolarHBondContact O-N 3.24Å |
| 784 | I | 28.8 | Very low | 29.8 | Very low | 138 Ų | 138 | 143.8 Ų | 143.8 | 71% | 0.708 | 75% | 0.753 | S | S | * | * | | | trans | -67.5 | 95.7 | 171.2 | -62.6 | 170.6 | 0 | 0 | 0 | 106.3 | S782 | S782-I784 VanDerWaalsContact C-N 3.27Å; S782-I784 PolarHBondContact O-N 3.12Å |
| 785 | R | 31.3 | Very low | 29.9 | Very low | 216 Ų | 216 | 142.7 Ų | 142.7 | 82% | 0.815 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 130.6 | 171.7 | -141.2 | -179.1 | -136.4 | -151.5 | 5.1 | 107 | S783 F787 | S783-R785 VanDerWaalsContact C-N 3.29Å; S783-R785 PolarHBondContact O-N 3.24Å; R785-F787 PolarHBondContact O-N 3.14Å |
| 786 | P | 34 | Very low | 30 | Very low | 117 Ų | 117 | 143.5 Ų | 143.5 | 76% | 0.76 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 125.8 | 176 | 21 | -30.4 | 0 | 0 | 0 | 109.7 | S788 | P786-S788 PolarHBondContact O-N 2.84Š|
| 787 | F | 27.5 | Very low | 30.1 | Very low | 176 Ų | 176 | 142.8 Ų | 142.8 | 77% | 0.772 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -46.2 | 121.6 | -174 | -66.1 | -93.2 | 0 | 0 | 0 | 112.8 | R785 | R785-F787 PolarHBondContact O-N 3.14Š|
| 788 | S | 32.1 | Very low | 30.1 | Very low | 102 Ų | 102 | 144 Ų | 144 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 137.3 | 166.4 | 58 | 0 | 0 | 0 | 0 | 110 | P786 N790 | P786-S788 PolarHBondContact O-N 2.84Å; S788-N790 PolarHBondContact O-N 3.18Å |
| 789 | A | 29.6 | Very low | 30.1 | Very low | 77 Ų | 77 | 142.5 Ų | 142.5 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | 20.5 | -163.5 | 0 | 0 | 0 | 0 | 0 | 119.4 | W792 | A789-W792 PolarHBondContact O-NE1 3.22Š|
| 790 | N | 31.3 | Very low | 30.1 | Very low | 157 Ų | 157 | 138.3 Ų | 138.3 | 84% | 0.84 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.7 | 11.5 | -172 | -78.4 | 1.7 | 0 | 0 | 0 | 116.1 | S788 | S788-N790 PolarHBondContact O-N 3.18Š|
| 791 | S | 30.9 | Very low | 30 | Very low | 70 Ų | 70 | 134.8 Ų | 134.8 | 49% | 0.49 | 74% | 0.739 | S | S | . | * | | | trans | -109.6 | 57.5 | -177.3 | 60.7 | 0 | 0 | 0 | 0 | 113.4 | | |
| 792 | W | 27.9 | Very low | 29.9 | Very low | 235 Ų | 235 | 134.3 Ų | 134.3 | 89% | 0.89 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -84.8 | -0.1 | 168.5 | -43 | -20.8 | 0 | 0 | 0 | 112.4 | A789 | A789-W792 PolarHBondContact O-NE1 3.22Š|
| 793 | K | 31.2 | Very low | 29.8 | Very low | 209 Ų | 209 | 134.6 Ų | 134.6 | 91% | 0.909 | 73% | 0.733 | S | S | * | * | | | trans | -113 | 62.8 | 170.9 | -66.3 | -171 | 178.8 | -176.5 | 0 | 109.7 | | |
| 794 | S | 33.6 | Very low | 29.7 | Very low | 92 Ų | 92 | 136.3 Ų | 136.3 | 64% | 0.643 | 73% | 0.732 | S | S | * | * | | | trans | -120.9 | 91.3 | 167.4 | 179.4 | 0 | 0 | 0 | 0 | 107.9 | | |
| 795 | Q | 30 | Very low | 29.7 | Very low | 177 Ų | 177 | 135.8 Ų | 135.8 | 83% | 0.827 | 73% | 0.73 | S | S | * | * | | | trans | 35.2 | 97 | 135.5 | -145.3 | 155.4 | 11 | 0 | 0 | 114.6 | P797 | Q795-P797 WeakPolarHBondContact O-CD 3.21Å; Q795-P797 VanDerWaalsContact O-N 3.14Å |
| 796 | I | 29 | Very low | 29.5 | Very low | 152 Ų | 152 | 135.6 Ų | 135.6 | 78% | 0.779 | 73% | 0.729 | S | S | * | * | | | trans | -49.8 | 121.4 | 164.4 | -66 | 167.9 | 0 | 0 | 0 | 106.7 | N798 | I796-N798 PolarHBondContact O-N 3.05Š|
| 797 | P | 32.8 | Very low | 29.2 | Very low | 102 Ų | 102 | 136.8 Ų | 136.8 | 66% | 0.662 | 73% | 0.729 | S | S | * | * | | | trans | -60.9 | 112.1 | 176.5 | -20.5 | 32 | 0 | 0 | 0 | 108.5 | Q795 V799 | Q795-P797 WeakPolarHBondContact O-CD 3.21Å; Q795-P797 VanDerWaalsContact O-N 3.14Å; P797-V799 HydrophobicContact CB-CG2 3.84Å; P797-V799 PolarHBondContact O-N 2.92Å |
| 798 | N | 28.8 | Very low | 29.3 | Very low | 154 Ų | 154 | 136.8 Ų | 136.8 | 82% | 0.824 | 73% | 0.729 | S | S | * | * | | | trans | -68.3 | 69.1 | 159.2 | -87.6 | -14.7 | 0 | 0 | 0 | 107.6 | I796 V800 | I796-N798 PolarHBondContact O-N 3.05Å; N798-V800 PolarHBondContact O-N 2.84Å |
| 799 | V | 27.5 | Very low | 29.1 | Very low | 117 Ų | 117 | 139.9 Ų | 139.9 | 71% | 0.709 | 74% | 0.738 | S | S | * | * | | | trans | -78.4 | 76.8 | 160.6 | -175.4 | 0 | 0 | 0 | 0 | 105 | P797 S801 | P797-V799 HydrophobicContact CB-CG2 3.84Å; P797-V799 PolarHBondContact O-N 2.92Å; V799-S801 VanDerWaalsContact C-N 3.26Å; V799-S801 PolarHBondContact O-N 2.85Å |
| 800 | V | 27.6 | Very low | 29.1 | Very low | 107 Ų | 107 | 139.5 Ų | 139.5 | 65% | 0.648 | 74% | 0.742 | S | S | * | * | | | trans | -65.9 | 101.8 | 157.7 | -177.3 | 0 | 0 | 0 | 0 | 104.2 | N798 N802 | N798-V800 PolarHBondContact O-N 2.84Å; V800-N802 VanDerWaalsContact C-N 3.27Å; V800-N802 PolarHBondContact O-N 3.07Å |
| 801 | S | 29.3 | Very low | 29 | Very low | 96 Ų | 96 | 139.5 Ų | 139.5 | 67% | 0.671 | 74% | 0.741 | S | S | * | * | | | trans | -61.4 | 87.3 | 176.8 | 35.9 | 0 | 0 | 0 | 0 | 109.9 | V799 S803 | V799-S801 VanDerWaalsContact C-N 3.26Å; V799-S801 PolarHBondContact O-N 2.85Å; S801-S803 PolarHBondContact O-N 3.15Å |
| 802 | N | 26.2 | Very low | 28.9 | Very low | 137 Ų | 137 | 144.9 Ų | 144.9 | 73% | 0.733 | 76% | 0.756 | S | S | * | * | | | trans | -82.7 | 60.1 | 163.1 | -78.6 | -10.7 | 0 | 0 | 0 | 109.2 | V800 I804 | V800-N802 VanDerWaalsContact C-N 3.27Å; V800-N802 PolarHBondContact O-N 3.07Å; N802-I804 PolarHBondContact O-N 3.36Å |
| 803 | S | 27.6 | Very low | 29.1 | Very low | 90 Ų | 90 | 141.2 Ų | 141.2 | 63% | 0.629 | 75% | 0.754 | S | S | * | * | | | trans | -86 | 79.4 | 160.8 | 59.4 | 0 | 0 | 0 | 0 | 107.6 | S801 I805 | S801-S803 PolarHBondContact O-N 3.15Å; S803-I805 PolarHBondContact O-N 3.45Å |
| 804 | I | 26 | Very low | 28.8 | Very low | 141 Ų | 141 | 136.8 Ų | 136.8 | 72% | 0.723 | 75% | 0.745 | S | S | * | * | | | trans | -63.4 | 93.7 | 161.6 | -63.2 | 168.9 | 0 | 0 | 0 | 105.6 | N802 R806 | N802-I804 PolarHBondContact O-N 3.36Å; I804-R806 HydrophobicContact CG2-CG 4.41Å; I804-R806 PolarHBondContact O-N 3.23Å; I804-R806 VanDerWaalsContact O-N 3.08Å |
| 805 | I | 28.7 | Very low | 28.6 | Very low | 128 Ų | 128 | 139 Ų | 139 | 66% | 0.656 | 75% | 0.754 | S | S | * | * | | | trans | -70.7 | 101.7 | 167.9 | -65.2 | 173.7 | 0 | 0 | 0 | 105.6 | S803 N807 | S803-I805 PolarHBondContact O-N 3.45Å; I805-N807 VanDerWaalsContact C-N 3.29Å; I805-N807 PolarHBondContact O-N 3.33Å |
| 806 | R | 27.5 | Very low | 28.5 | Very low | 211 Ų | 211 | 136.9 Ų | 136.9 | 80% | 0.796 | 75% | 0.749 | S | S | * | * | | | trans | -68.8 | 87.7 | 166.3 | -69.4 | -179.3 | -176 | 176.6 | 0.2 | 108.1 | I804 | I804-R806 HydrophobicContact CG2-CG 4.41Å; I804-R806 PolarHBondContact O-N 3.23Å; I804-R806 VanDerWaalsContact O-N 3.08Å |
| 807 | N | 29 | Very low | 28.3 | Very low | 143 Ų | 143 | 136.2 Ų | 136.2 | 77% | 0.765 | 75% | 0.746 | S | S | * | * | | | trans | -96.5 | 112.7 | 157.3 | -77.4 | -10.2 | 0 | 0 | 0 | 107.1 | I805 | I805-N807 VanDerWaalsContact C-N 3.29Å; I805-N807 PolarHBondContact O-N 3.33Å |
| 808 | F | 28.5 | Very low | 28.1 | Very low | 176 Ų | 176 | 136.7 Ų | 136.7 | 77% | 0.772 | 75% | 0.751 | S | S | * | * | | | trans | -59.1 | 152.3 | 167 | -75.7 | -97.2 | 0 | 0 | 0 | 110 | | |
| 809 | D | 29.2 | Very low | 28 | Very low | 166 Ų | 166 | 134.3 Ų | 134.3 | 89% | 0.888 | 74% | 0.743 | S | S | * | * | | | trans | 111.1 | 84.6 | 170.7 | -58 | -18.8 | 0 | 0 | 0 | 113.2 | | |
| 810 | G | 29 | Very low | 28.2 | Very low | 70 Ų | 70 | 135.1 Ų | 135.1 | 72% | 0.722 | 74% | 0.742 | S | S | * | * | S | Bend | trans | 149.7 | 86.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 811 | D | 29.9 | Very low | 28.1 | Very low | 156 Ų | 156 | 135.6 Ų | 135.6 | 83% | 0.834 | 74% | 0.74 | S | S | * | * | | | trans | 40.5 | 104.9 | 147.2 | -56.9 | -29 | 0 | 0 | 0 | 119.8 | | |
| 812 | F | 28.1 | Very low | 28 | Very low | 183 Ų | 183 | 137.9 Ų | 137.9 | 80% | 0.803 | 75% | 0.745 | S | S | * | * | | | trans | 7.2 | 110.3 | 144.7 | -76.7 | -94.5 | 0 | 0 | 0 | 117.7 | | |
| 813 | N | 31 | Very low | 28 | Very low | 159 Ų | 159 | 140.7 Ų | 140.7 | 85% | 0.85 | 75% | 0.747 | S | S | * | * | | | | -156.1 | 85 | 128.7 | -91.8 | -30.3 | 0 | 0 | 0 | 109.1 | T815 | N813-T815 PolarHBondContact O-N 3.29Š|
| 814 | T | 25.9 | Very low | 28.1 | Very low | 116 Ų | 116 | 142.3 Ų | 142.3 | 71% | 0.712 | 75% | 0.748 | S | S | * | * | | | trans | -73.6 | 95.7 | 175.1 | -10.1 | 0 | 0 | 0 | 0 | 109.2 | | |
| 815 | T | 29.8 | Very low | 28.2 | Very low | 137 Ų | 137 | 142.2 Ų | 142.2 | 84% | 0.84 | 75% | 0.748 | S | S | * | * | | | trans | -92.3 | 115.9 | 165.7 | -41.1 | 0 | 0 | 0 | 0 | 109.1 | N813 | N813-T815 PolarHBondContact O-N 3.29Š|
| 816 | N | 26.9 | Very low | 28.3 | Very low | 134 Ų | 134 | 141.5 Ų | 141.5 | 72% | 0.717 | 75% | 0.746 | S | S | * | * | | | trans | -59.6 | 132.2 | -173.9 | -85.4 | -46.9 | 0 | 0 | 0 | 115.2 | | |
| 817 | I | 25.5 | Very low | 28.3 | Very low | 138 Ų | 138 | 137.5 Ų | 137.5 | 71% | 0.708 | 75% | 0.745 | S | S | * | * | | | | 23.9 | 117.2 | 126.6 | -46.7 | 170.7 | 0 | 0 | 0 | 117.3 | | |
| 818 | S | 27.4 | Very low | 28.3 | Very low | 111 Ų | 111 | 137.3 Ų | 137.3 | 78% | 0.776 | 74% | 0.742 | S | S | * | * | | | trans | -140.4 | 99.8 | 140.7 | 65.2 | 0 | 0 | 0 | 0 | 110.7 | | |
| 819 | T | 26.7 | Very low | 28.4 | Very low | 105 Ų | 105 | 139.6 Ų | 139.6 | 64% | 0.644 | 75% | 0.746 | S | S | * | * | | | trans | -86 | 104.9 | 171.9 | -35.8 | 0 | 0 | 0 | 0 | 107.3 | | |
| 820 | I | 31.5 | Very low | 28.5 | Very low | 134 Ų | 134 | 137.2 Ų | 137.2 | 69% | 0.687 | 74% | 0.739 | S | S | * | * | | | trans | -110.2 | 82.8 | 167.7 | -58.2 | 178.5 | 0 | 0 | 0 | 107.6 | N822 | I820-N822 HydrophobicContact CG2-CB 4.37Å; I820-N822 PolarHBondContact O-N 3.48Å |
| 821 | N | 26.7 | Very low | 28.6 | Very low | 116 Ų | 116 | 143.3 Ų | 143.3 | 62% | 0.62 | 75% | 0.746 | S | S | * | * | | | trans | -75.1 | 85.8 | 162.9 | -82.5 | -20.5 | 0 | 0 | 0 | 108.4 | Y823 | N821-Y823 HydrophobicContact CB-CD2 4.3Å; N821-Y823 HydrophobicContact CB-CE2 4.32Å; N821-Y823 PolarHBondContact O-N 3.02Å |
| 822 | N | 27.7 | Very low | 28.5 | Very low | 144 Ų | 144 | 141.4 Ų | 141.4 | 77% | 0.77 | 75% | 0.745 | S | S | * | * | | | trans | -96.8 | 83.7 | 165.4 | -89.1 | -17.5 | 0 | 0 | 0 | 109.6 | I820 N824 | I820-N822 HydrophobicContact CG2-CB 4.37Å; I820-N822 PolarHBondContact O-N 3.48Å; N822-N824 PolarHBondContact O-N 3.29Å; N822-N824 VanDerWaalsContact O-N 3.09Å |
| 823 | Y | 26.3 | Very low | 28.5 | Very low | 196 Ų | 196 | 136.8 Ų | 136.8 | 77% | 0.769 | 74% | 0.735 | S | S | * | * | | | trans | -66 | 95.5 | 159.1 | -75 | -89.9 | 0 | 0 | 0 | 108.5 | N821 | N821-Y823 HydrophobicContact CB-CD2 4.3Å; N821-Y823 HydrophobicContact CB-CE2 4.32Å; N821-Y823 PolarHBondContact O-N 3.02Å |
| 824 | N | 28.4 | Very low | 28.5 | Very low | 124 Ų | 124 | 135.7 Ų | 135.7 | 66% | 0.663 | 73% | 0.734 | S | S | * | * | | | trans | -129.3 | 81 | 161.1 | -151.4 | -6 | 0 | 0 | 0 | 109.1 | N822 N826 | N822-N824 PolarHBondContact O-N 3.29Å; N822-N824 VanDerWaalsContact O-N 3.09Å; N824-N826 PolarHBondContact O-N 3.32Å; N824-N826 PolarHBondContact OD1-OD1 3.29Å |
| 825 | I | 28.9 | Very low | 28.8 | Very low | 139 Ų | 139 | 136.1 Ų | 136.1 | 71% | 0.713 | 73% | 0.732 | S | S | * | * | | | trans | -74.5 | 66.7 | 169.3 | -54.8 | 172.4 | 0 | 0 | 0 | 107 | T827 | I825-T827 PolarHBondContact O-N 3.11Š|
| 826 | N | 29.6 | Very low | 28.9 | Very low | 114 Ų | 114 | 138.9 Ų | 138.9 | 61% | 0.61 | 73% | 0.732 | S | S | * | * | | | trans | -82.1 | 95.9 | 160.2 | -84.6 | -9.2 | 0 | 0 | 0 | 106.4 | N824 I828 | N824-N826 PolarHBondContact O-N 3.32Å; N824-N826 PolarHBondContact OD1-OD1 3.29Å; N826-I828 HydrophobicContact CB-CG1 4.27Å; N826-I828 PolarHBondContact O-N 3.3Å |
| 827 | T | 27.7 | Very low | 29 | Very low | 126 Ų | 126 | 138.7 Ų | 138.7 | 77% | 0.773 | 73% | 0.731 | S | S | * | * | | | trans | -66 | 72.8 | 170.8 | -44.2 | 0 | 0 | 0 | 0 | 108.2 | I825 R829 | I825-T827 PolarHBondContact O-N 3.11Å; T827-R829 VanDerWaalsContact C-N 3.32Å; T827-R829 PolarHBondContact O-N 2.98Å |
| 828 | I | 30.1 | Very low | 29.3 | Very low | 140 Ų | 140 | 140.9 Ų | 140.9 | 72% | 0.718 | 74% | 0.735 | S | S | * | * | | | trans | -74.9 | 94.5 | 171.9 | -59.5 | 173 | 0 | 0 | 0 | 105.2 | N826 P830 | N826-I828 HydrophobicContact CB-CG1 4.27Å; N826-I828 PolarHBondContact O-N 3.3Å; I828-P830 WeakPolarHBondContact O-CD 3.21Å; I828-P830 VanDerWaalsContact O-N 3.08Å |
| 829 | R | 29.9 | Very low | 29.4 | Very low | 224 Ų | 224 | 143 Ų | 143 | 85% | 0.845 | 74% | 0.737 | S | S | * | * | | | trans | -55.5 | 111 | 169.5 | -169.3 | 179.2 | -163 | -177.6 | 4.5 | 107.3 | T827 K831 | T827-R829 VanDerWaalsContact C-N 3.32Å; T827-R829 PolarHBondContact O-N 2.98Å; R829-K831 PolarHBondContact O-N 3.05Å; R829-K831 VanDerWaalsContact O-N 3.14Å |
| 830 | P | 30.5 | Very low | 29.6 | Very low | 115 Ų | 115 | 144.5 Ų | 144.5 | 75% | 0.747 | 74% | 0.741 | S | S | * | * | | | trans | -62.8 | 122.9 | 174.1 | -15.6 | 30.1 | 0 | 0 | 0 | 106.8 | I828 S832 | I828-P830 WeakPolarHBondContact O-CD 3.21Å; I828-P830 VanDerWaalsContact O-N 3.08Å; P830-S832 PolarHBondContact O-N 3.44Å |
| 831 | K | 31.6 | Very low | 29.6 | Very low | 199 Ų | 199 | 144 Ų | 144 | 87% | 0.865 | 75% | 0.745 | S | S | * | * | | | trans | -54.2 | 132.4 | 170.2 | -69.6 | 178.9 | 178.6 | 177.4 | 0 | 107.1 | R829 S833 | R829-K831 PolarHBondContact O-N 3.05Å; R829-K831 VanDerWaalsContact O-N 3.14Å; K831-S833 VanDerWaalsContact C-N 3.26Å; K831-S833 PolarHBondContact O-N 3.21Å |
| 832 | S | 27.6 | Very low | 29.7 | Very low | 116 Ų | 116 | 147.2 Ų | 147.2 | 81% | 0.811 | 76% | 0.756 | S | S | * | * | | | trans | -61.8 | 87.4 | 175 | 54.3 | 0 | 0 | 0 | 0 | 109.2 | P830 T834 | P830-S832 PolarHBondContact O-N 3.44Å; S832-T834 PolarHBondContact O-N 3.13Å |
| 833 | S | 29.6 | Very low | 29.8 | Very low | 86 Ų | 86 | 145.3 Ų | 145.3 | 60% | 0.601 | 75% | 0.754 | S | S | * | * | | | trans | -75.3 | 112.3 | 160.9 | 60.4 | 0 | 0 | 0 | 0 | 106 | K831 L835 | K831-S833 VanDerWaalsContact C-N 3.26Å; K831-S833 PolarHBondContact O-N 3.21Å; S833-L835 PolarHBondContact O-N 3.4Å |
| 834 | T | 31 | Very low | 30.2 | Very low | 135 Ų | 135 | 145.2 Ų | 145.2 | 83% | 0.828 | 76% | 0.758 | S | S | * | * | | | trans | -64.8 | 65.9 | 167.1 | -35.4 | 0 | 0 | 0 | 0 | 108.5 | S832 K836 | S832-T834 PolarHBondContact O-N 3.13Å; T834-K836 PolarHBondContact O-N 3.15Å |
| 835 | L | 31.5 | Very low | 30.5 | Very low | 126 Ų | 126 | 146.7 Ų | 146.7 | 66% | 0.66 | 77% | 0.765 | S | S | * | * | | | trans | -70.5 | 104.8 | 166.6 | -87.1 | 160.6 | 0 | 0 | 0 | 105 | S833 N837 | S833-L835 PolarHBondContact O-N 3.4Å; L835-N837 PolarHBondContact O-N 3.01Å |
| 836 | K | 32.6 | Very low | 30.7 | Very low | 195 Ų | 195 | 149.1 Ų | 149.1 | 85% | 0.848 | 77% | 0.771 | S | S | * | * | | | trans | -58.3 | 75.6 | 160.5 | -67.7 | -178.5 | 178 | -179.8 | 0 | 107.1 | T834 K838 | T834-K836 PolarHBondContact O-N 3.15Å; K836-K838 PolarHBondContact O-N 3.49Å |
| 837 | N | 28.4 | Very low | 30.9 | Very low | 130 Ų | 130 | 151.4 Ų | 151.4 | 70% | 0.695 | 78% | 0.782 | S | S | * | * | | | trans | -65.5 | 101.7 | 161.9 | -81.2 | -2.9 | 0 | 0 | 0 | 104.4 | L835 L839 | L835-N837 PolarHBondContact O-N 3.01Å; N837-L839 VanDerWaalsContact C-N 3.27Å; N837-L839 PolarHBondContact O-N 3.11Å |
| 838 | K | 32.2 | Very low | 31.2 | Very low | 184 Ų | 184 | 150.7 Ų | 150.7 | 80% | 0.8 | 78% | 0.778 | S | S | * | * | | | trans | -47.5 | 106.7 | 154 | -70.8 | 179.5 | 176.3 | -178.4 | 0 | 104.4 | K836 D840 | K836-K838 PolarHBondContact O-N 3.49Å; K838-D840 PolarHBondContact O-N 2.71Å |
| 839 | L | 28.4 | Very low | 31.5 | Very low | 155 Ų | 155 | 147.8 Ų | 147.8 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | | | trans | -71.2 | 91.8 | 171.2 | -140.9 | 104 | 0 | 0 | 0 | 103.5 | N837 T841 | N837-L839 VanDerWaalsContact C-N 3.27Å; N837-L839 PolarHBondContact O-N 3.11Å; L839-T841 VanDerWaalsContact C-N 3.34Å; L839-T841 PolarHBondContact O-N 3.43Å |
| 840 | D | 31.4 | Very low | 31.8 | Very low | 136 Ų | 136 | 144.8 Ų | 144.8 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | | | trans | -59.1 | 108.5 | 165.5 | -77.7 | -31.5 | 0 | 0 | 0 | 105.5 | K838 Q842 | K838-D840 PolarHBondContact O-N 2.71Å; D840-Q842 PolarHBondContact O-N 3.24Å |
| 841 | T | 32 | Very low | 31.9 | Very low | 125 Ų | 125 | 149.3 Ų | 149.3 | 77% | 0.767 | 77% | 0.773 | S | S | * | * | | | trans | -62.8 | 83 | 168.2 | 32.8 | 0 | 0 | 0 | 0 | 107.3 | L839 S843 | L839-T841 VanDerWaalsContact C-N 3.34Å; L839-T841 PolarHBondContact O-N 3.43Å; T841-S843 PolarHBondContact O-N 3.34Å |
| 842 | Q | 27.4 | Very low | 32.3 | Very low | 183 Ų | 183 | 144.6 Ų | 144.6 | 86% | 0.855 | 77% | 0.765 | S | S | * | * | | | trans | -68.8 | 82.9 | 157.5 | -86.1 | -155.9 | 3 | 0 | 0 | 107.7 | D840 K844 | D840-Q842 PolarHBondContact O-N 3.24Å; Q842-K844 PolarHBondContact O-N 2.82Å; Q842-K844 VanDerWaalsContact O-N 3.15Å |
| 843 | S | 31.5 | Very low | 32.8 | Very low | 104 Ų | 104 | 146.6 Ų | 146.6 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | 100.8 | 157 | 54.2 | 0 | 0 | 0 | 0 | 107.9 | T841 | T841-S843 PolarHBondContact O-N 3.34Š|
| 844 | K | 34.4 | Very low | 33 | Very low | 194 Ų | 194 | 153.3 Ų | 153.3 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -169.9 | 7.2 | 153.1 | -109 | 166.7 | -168.8 | -176.4 | 0 | 115.8 | Q842 K846 | Q842-K844 PolarHBondContact O-N 2.82Å; Q842-K844 VanDerWaalsContact O-N 3.15Å; K844-K846 PolarHBondContact O-N 3.5Å |
| 845 | D | 33.5 | Very low | 33.3 | Very low | 155 Ų | 155 | 150.3 Ų | 150.3 | 83% | 0.829 | 76% | 0.761 | S | S | * | * | | | trans | -76.2 | 80.9 | 165.3 | -71.1 | -15.8 | 0 | 0 | 0 | 109.1 | L847 | D845-L847 PolarHBondContact O-N 3.2Š|
| 846 | K | 33.3 | Very low | 33.5 | Very low | 189 Ų | 189 | 147 Ų | 147 | 82% | 0.822 | 76% | 0.758 | S | S | * | * | | | trans | -52.3 | 95.9 | 153.5 | -90.4 | 179.4 | 173.9 | 178.7 | 0 | 105.8 | K844 T848 | K844-K846 PolarHBondContact O-N 3.5Å; K846-T848 PolarHBondContact O-N 3.39Å |
| 847 | L | 34.8 | Very low | 33.7 | Very low | 163 Ų | 163 | 141 Ų | 141 | 85% | 0.853 | 74% | 0.737 | S | S | * | * | | | trans | -61.6 | 86.5 | 162.5 | -80.7 | 160 | 0 | 0 | 0 | 106.6 | D845 S849 | D845-L847 PolarHBondContact O-N 3.2Å; L847-S849 PolarHBondContact O-N 3.26Å |
| 848 | T | 34.2 | Very low | 33.8 | Very low | 110 Ų | 110 | 144.5 Ų | 144.5 | 68% | 0.675 | 74% | 0.741 | S | S | * | * | | | trans | -69.5 | 63.7 | 163.3 | 47.4 | 0 | 0 | 0 | 0 | 107.7 | K846 N850 | K846-T848 PolarHBondContact O-N 3.39Å; T848-N850 PolarHBondContact O-N 3.09Å |
| 849 | S | 36.1 | Very low | 33.8 | Very low | 80 Ų | 80 | 142.9 Ų | 142.9 | 56% | 0.559 | 73% | 0.734 | S | S | * | * | | | trans | -68.2 | 91.4 | 165.6 | 164 | 0 | 0 | 0 | 0 | 106.3 | L847 R851 | L847-S849 PolarHBondContact O-N 3.26Å; S849-R851 PolarHBondContact O-N 3.45Å |
| 850 | N | 35.8 | Very low | 34.2 | Very low | 161 Ų | 161 | 139.6 Ų | 139.6 | 86% | 0.861 | 72% | 0.717 | S | S | * | * | | | trans | -63.5 | 39.4 | 164.9 | -75.2 | -21 | 0 | 0 | 0 | 111.7 | T848 | T848-N850 PolarHBondContact O-N 3.09Š|
| 851 | R | 32.9 | Very low | 34.6 | Very low | 210 Ų | 210 | 140.4 Ų | 140.4 | 79% | 0.792 | 72% | 0.72 | S | S | * | * | | | trans | -85.5 | 114 | 163.4 | -93.1 | -175.8 | 167.5 | -178.5 | -2 | 106.8 | S849 N853 | S849-R851 PolarHBondContact O-N 3.45Å; R851-N853 PolarHBondContact O-N 2.83Å; R851-N853 VanDerWaalsContact O-N 3.11Å |
| 852 | S | 40.6 | Very low | 35.2 | Very low | 100 Ų | 100 | 143.4 Ų | 143.4 | 70% | 0.699 | 72% | 0.723 | S | S | * | * | | | trans | -35.8 | 117.8 | 166.1 | 56.3 | 0 | 0 | 0 | 0 | 110.4 | R854 | S852-R854 VanDerWaalsContact C-N 3.31Å; S852-R854 PolarHBondContact O-N 3.31Å |
| 853 | N | 37 | Very low | 35.8 | Very low | 157 Ų | 157 | 140.5 Ų | 140.5 | 84% | 0.84 | 71% | 0.713 | S | S | * | * | | | trans | -50.1 | 82.6 | -178.3 | -67.2 | -36.6 | 0 | 0 | 0 | 112.5 | R851 | R851-N853 PolarHBondContact O-N 2.83Å; R851-N853 VanDerWaalsContact O-N 3.11Å |
| 854 | R | 35 | Very low | 36 | Very low | 227 Ų | 227 | 143.4 Ų | 143.4 | 86% | 0.857 | 72% | 0.72 | S | S | * | * | | | trans | -88.7 | 118.2 | 168.1 | -89.6 | -173.2 | 173.6 | -179.5 | -0.9 | 108.5 | S852 G856 | S852-R854 VanDerWaalsContact C-N 3.31Å; S852-R854 PolarHBondContact O-N 3.31Å; R854-G856 PolarHBondContact O-N 3.3Å |
| 855 | P | 37.1 | Very low | 35.9 | Very low | 72 Ų | 72 | 136.5 Ų | 136.5 | 47% | 0.468 | 70% | 0.696 | S | S | . | * | | | trans | -58.8 | 130.4 | 179.1 | 20.8 | -29.5 | 0 | 0 | 0 | 110.3 | V857 | P855-V857 PolarHBondContact O-N 3.29Š|
| 856 | G | 35.9 | Very low | 36 | Very low | 58 Ų | 58 | 134.3 Ų | 134.3 | 60% | 0.598 | 68% | 0.684 | S | S | * | * | | | trans | -78.9 | 111.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | R854 R858 | R854-G856 PolarHBondContact O-N 3.3Å; G856-R858 PolarHBondContact O-N 3.07Å |
| 857 | V | 35.9 | Very low | 36.2 | Very low | 67 Ų | 67 | 129.5 Ų | 129.5 | 41% | 0.406 | 67% | 0.667 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.5 | 111.9 | 175.2 | -178.2 | 0 | 0 | 0 | 0 | 109.1 | P855 F859 I866 | P855-V857 PolarHBondContact O-N 3.29Å; V857-F859 HydrophobicContact CG1-CD2 4.26Å; V857-F859 HydrophobicContact CG1-CE1 4.39Å; V857-F859 HydrophobicContact CG1-CE2 3.84Å; V857-F859 HydrophobicContact CG1-CZ 3.92Å; V857-I866 HydrophobicContact CG1-CG2 3.9Å |
| 858 | R | 31.2 | Very low | 36.4 | Very low | 205 Ų | 205 | 125.8 Ų | 125.8 | 77% | 0.774 | 65% | 0.645 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -98.4 | 125.2 | 164.4 | -93.7 | -176.6 | 156.1 | -168.1 | -4.5 | 108.8 | G856 D860 | G856-R858 PolarHBondContact O-N 3.07Å; R858-D860 PolarHBondContact O-N 3.16Å |
| 859 | F | 32.1 | Very low | 36.6 | Very low | 150 Ų | 150 | 125.5 Ų | 125.5 | 66% | 0.658 | 63% | 0.634 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -85.1 | 108.5 | 173.5 | -69 | -85.9 | 0 | 0 | 0 | 109.4 | V857 I861 I866 | V857-F859 HydrophobicContact CG1-CD2 4.26Å; V857-F859 HydrophobicContact CG1-CE1 4.39Å; V857-F859 HydrophobicContact CG1-CE2 3.84Å; V857-F859 HydrophobicContact CG1-CZ 3.92Å; F859-I861 PolarHBondContact O-N 2.9Å; F859-I866 HydrophobicContact CD1-CG1 4.34Å; F859-I866 HydrophobicContact CE1-CD1 4.19Å; F859-I866 HydrophobicContact CE1-CG1 4.13Å |
| 860 | D | 36.4 | Very low | 36.7 | Very low | 85 Ų | 85 | 128.4 Ų | 128.4 | 46% | 0.455 | 63% | 0.634 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -84.4 | 101.3 | 166.7 | -163.2 | -12 | 0 | 0 | 0 | 109.3 | R858 K862 | R858-D860 PolarHBondContact O-N 3.16Å; D860-K862 PolarHBondContact O-N 2.93Å; D860-K862 VanDerWaalsContact O-N 3.16Å; D860-K862 PolarHBondContact OD1-N 3.33Å |
| 861 | I | 40.6 | Very low | 37 | Very low | 154 Ų | 154 | 124 Ų | 124 | 79% | 0.79 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | -17.2 | -176.8 | -64.8 | 168.7 | 0 | 0 | 0 | 111.5 | F859 | F859-I861 PolarHBondContact O-N 2.9Š|
| 862 | K | 44.3 | Very low | 37.3 | Very low | 187 Ų | 187 | 121.7 Ų | 121.7 | 81% | 0.813 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | -33.7 | -177.2 | -99 | -176.5 | 173.8 | -178 | 0 | 113.9 | D860 | D860-K862 PolarHBondContact O-N 2.93Å; D860-K862 VanDerWaalsContact O-N 3.16Å; D860-K862 PolarHBondContact OD1-N 3.33Å |
| 863 | N | 39.1 | Very low | 37.3 | Very low | 122 Ų | 122 | 122.7 Ų | 122.7 | 65% | 0.652 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.1 | 2.7 | -170.8 | -70.8 | -12.6 | 0 | 0 | 0 | 114.3 | S865 | N863-S865 PolarHBondContact O-N 3.29Š|
| 864 | N | 35.3 | Very low | 37.3 | Very low | 165 Ų | 165 | 121.5 Ų | 121.5 | 88% | 0.882 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 53.6 | 22.8 | -177.6 | -114.2 | 12.7 | 0 | 0 | 0 | 113.1 | | |
| 865 | S | 32.3 | Very low | 37.3 | Very low | 49 Ų | 49 | 116.4 Ų | 116.4 | 34% | 0.343 | 60% | 0.596 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.7 | 130 | 176.6 | 58.3 | 0 | 0 | 0 | 0 | 109.6 | N863 L867 | N863-S865 PolarHBondContact O-N 3.29Å; S865-L867 PolarHBondContact O-N 2.93Å |
| 866 | I | 35.6 | Very low | 37.1 | Very low | 110 Ų | 110 | 120.2 Ų | 120.2 | 56% | 0.564 | 61% | 0.613 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -84.4 | 102.9 | 170.5 | -63 | 169.6 | 0 | 0 | 0 | 105.7 | V857 F859 E868 | V857-I866 HydrophobicContact CG1-CG2 3.9Å; F859-I866 HydrophobicContact CD1-CG1 4.34Å; F859-I866 HydrophobicContact CE1-CD1 4.19Å; F859-I866 HydrophobicContact CE1-CG1 4.13Å; I866-E868 PolarHBondContact O-N 3.31Å |
| 867 | L | 37.9 | Very low | 36.9 | Very low | 88 Ų | 88 | 127.8 Ų | 127.8 | 46% | 0.461 | 63% | 0.629 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.1 | 101.1 | 167.8 | -92.2 | 122.2 | 0 | 0 | 0 | 108.2 | S865 F869 | S865-L867 PolarHBondContact O-N 2.93Å; L867-F869 HydrophobicContact CB-CD2 4.46Å; L867-F869 HydrophobicContact CB-CE2 3.95Å; L867-F869 HydrophobicContact CB-CZ 4.35Å; L867-F869 HydrophobicContact CD2-CZ 4.31Å; L867-F869 PolarHBondContact O-N 3.3Å |
| 868 | E | 38.9 | Very low | 36.8 | Very low | 84 Ų | 84 | 133.8 Ų | 133.8 | 39% | 0.393 | 67% | 0.674 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -75 | 105.3 | 165 | -121.9 | 178.4 | -161.9 | 0 | 0 | 107.6 | I866 Y870 | I866-E868 PolarHBondContact O-N 3.31Å; E868-Y870 HydrophobicContact CB-CE2 4.43Å; E868-Y870 PolarHBondContact O-N 3.48Å; E868-Y870 PolarHBondContact OE2-OH 3.14Å |
| 869 | F | 39.2 | Very low | 37.1 | Very low | 105 Ų | 105 | 130.2 Ų | 130.2 | 46% | 0.461 | 67% | 0.669 | S | S | . | * | | | trans | -78.4 | 110.9 | 170.1 | -70 | -86.4 | 0 | 0 | 0 | 108.1 | L867 | L867-F869 HydrophobicContact CB-CD2 4.46Å; L867-F869 HydrophobicContact CB-CE2 3.95Å; L867-F869 HydrophobicContact CB-CZ 4.35Å; L867-F869 HydrophobicContact CD2-CZ 4.31Å; L867-F869 PolarHBondContact O-N 3.3Å |
| 870 | Y | 37 | Very low | 37.3 | Very low | 140 Ų | 140 | 129.2 Ų | 129.2 | 55% | 0.549 | 67% | 0.67 | S | S | . | * | | | trans | -73.2 | 143.5 | 163.2 | -62.9 | -78.7 | 0 | 0 | 0 | 108.1 | E868 H872 D873 | E868-Y870 HydrophobicContact CB-CE2 4.43Å; E868-Y870 PolarHBondContact O-N 3.48Å; E868-Y870 PolarHBondContact OE2-OH 3.14Å; Y870-H872 PolarHBondContact O-N 3.3Å; Y870-D873 PolarHBondContact O-N 3.5Å |
| 871 | A | 43.5 | Very low | 37.4 | Very low | 70 Ų | 70 | 131.6 Ų | 131.6 | 58% | 0.579 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -59 | -15.2 | -178 | 0 | 0 | 0 | 0 | 0 | 113.5 | D873 | A871-D873 VanDerWaalsContact C-N 3.33Š|
| 872 | H | 39.6 | Very low | 37.2 | Very low | 161 Ų | 161 | 130.3 Ų | 130.3 | 75% | 0.745 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -73.5 | -18.4 | 175.1 | -69.7 | -69.5 | 0 | 0 | 0 | 114.2 | Y870 I874 | Y870-H872 PolarHBondContact O-N 3.3Å; H872-I874 VanDerWaalsContact C-N 3.33Å |
| 873 | D | 39.3 | Very low | 36.7 | Very low | 120 Ų | 120 | 126.8 Ų | 126.8 | 64% | 0.642 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -85.9 | -4 | 178.9 | -71 | -17.6 | 0 | 0 | 0 | 113.5 | Y870 A871 | Y870-D873 PolarHBondContact O-N 3.5Å; A871-D873 VanDerWaalsContact C-N 3.33Å |
| 874 | I | 37.9 | Very low | 36.6 | Very low | 133 Ų | 133 | 127.1 Ų | 127.1 | 68% | 0.682 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -89 | -9.3 | 178.9 | -58.7 | 178.6 | 0 | 0 | 0 | 111.7 | H872 N876 | H872-I874 VanDerWaalsContact C-N 3.33Å; I874-N876 PolarHBondContact O-N 3.38Å |
| 875 | I | 35.3 | Very low | 36.7 | Very low | 119 Ų | 119 | 124.4 Ų | 124.4 | 61% | 0.61 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.5 | 90.1 | -179.6 | -48.6 | 175.5 | 0 | 0 | 0 | 107.7 | | |
| 876 | N | 33 | Very low | 37 | Very low | 153 Ų | 153 | 130.2 Ų | 130.2 | 82% | 0.818 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 160.5 | 32.4 | 150.1 | -77.6 | -14.3 | 0 | 0 | 0 | 114.5 | I874 | I874-N876 PolarHBondContact O-N 3.38Š|
| 877 | K | 29.7 | Very low | 37.1 | Very low | 216 Ų | 216 | 131.8 Ų | 131.8 | 94% | 0.939 | 69% | 0.686 | S | S | * | * | | | trans | -135.3 | 85.1 | 158.7 | -82.5 | -173.4 | 176.7 | 175.2 | 0 | 110 | | |
| 878 | S | 34.3 | Very low | 37.1 | Very low | 193 Ų | 193 | 135.8 Ų | 135.8 | 100% | 1.35 | 71% | 0.706 | S | S | * | * | | | trans | -121.6 | 0 | 161.6 | 61.1 | 0 | 0 | 0 | 0 | 108.8 | | |