| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40.2 | Very low | 42.8 | Very low | 224 Ų | 224 | 153.7 Ų | 153.7 | 100% | 1.103 | 81% | 0.812 | S | S | * | * | 0 | 112.1 | 0 | -70.9 | -112.6 | 95.3 | 0 | 0 | 107.6 | |||||
| 2 | N | 42.2 | Very low | 42.3 | Very low | 152 Ų | 152 | 151.6 Ų | 151.6 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | trans | 54.7 | 128.5 | 164 | -51.2 | -12.3 | 0 | 0 | 0 | 118.5 | ||||
| 3 | S | 41.9 | Very low | 42.1 | Very low | 112 Ų | 112 | 151.1 Ų | 151.1 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | cis | -173.2 | 111.3 | -16.8 | 170.7 | 0 | 0 | 0 | 0 | 102.4 | ||||
| 4 | L | 48.9 | Very low | 42 | Very low | 157 Ų | 157 | 151 Ų | 151 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | trans | -67.3 | 147.3 | 175.1 | -82.7 | 105.2 | 0 | 0 | 0 | 110.3 | K6 | L4-K6 PolarHBondContact O-N 3.46Š| ||
| 5 | P | 54.5 | Low | 42.2 | Very low | 120 Ų | 120 | 148.6 Ų | 148.6 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | trans | -69.6 | 126.8 | 178 | 28.4 | -31.4 | 0 | 0 | 0 | 109.9 | K7 | P5-K7 PolarHBondContact O-N 2.83Š| ||
| 6 | K | 41.7 | Very low | 42.4 | Very low | 198 Ų | 198 | 145.8 Ų | 145.8 | 86% | 0.861 | 77% | 0.768 | S | S | * | * | trans | -54.8 | 107.3 | 173.5 | -66.5 | 173.4 | 178.3 | 175.8 | 0 | 109.2 | L4 V8 | L4-K6 PolarHBondContact O-N 3.46Å; K6-V8 PolarHBondContact O-N 3.25Å; K6-V8 VanDerWaalsContact O-N 3.09Å | ||
| 7 | K | 43.9 | Very low | 42.5 | Very low | 203 Ų | 203 | 146.7 Ų | 146.7 | 88% | 0.883 | 77% | 0.769 | S | S | * | * | trans | -65.2 | 102.4 | 155.8 | -77.7 | -178.9 | 176 | -179.7 | 0 | 106.3 | P5 L9 | P5-K7 PolarHBondContact O-N 2.83Å; K7-L9 VanDerWaalsContact C-N 3.3Å; K7-L9 PolarHBondContact O-N 3.44Å | ||
| 8 | V | 39.8 | Very low | 42.8 | Very low | 124 Ų | 124 | 148.8 Ų | 148.8 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | trans | -67.3 | 99.7 | 166.9 | 176.3 | 0 | 0 | 0 | 0 | 106.4 | K6 V10 | K6-V8 PolarHBondContact O-N 3.25Å; K6-V8 VanDerWaalsContact O-N 3.09Å; V8-V10 HydrophobicContact CG1-CG2 4.03Å; V8-V10 PolarHBondContact O-N 3.27Å; V8-V10 VanDerWaalsContact O-N 3.16Å | ||
| 9 | L | 37.3 | Very low | 42.8 | Very low | 140 Ų | 140 | 144.4 Ų | 144.4 | 73% | 0.733 | 77% | 0.766 | S | S | * | * | trans | -71 | 91.3 | 170.9 | -165.1 | 80.7 | 0 | 0 | 0 | 106.7 | K7 H11 | K7-L9 VanDerWaalsContact C-N 3.3Å; K7-L9 PolarHBondContact O-N 3.44Å; L9-H11 HydrophobicContact CD2-CB 4.13Å; L9-H11 HydrophobicContact CG-CB 4.08Å; L9-H11 PolarHBondContact O-N 2.91Å | ||
| 10 | V | 42.9 | Very low | 42.9 | Very low | 138 Ų | 138 | 144.8 Ų | 144.8 | 84% | 0.836 | 77% | 0.767 | S | S | * | * | trans | -76.9 | 78.9 | 164.3 | -173.5 | 0 | 0 | 0 | 0 | 106.3 | V8 | V8-V10 HydrophobicContact CG1-CG2 4.03Å; V8-V10 PolarHBondContact O-N 3.27Å; V8-V10 VanDerWaalsContact O-N 3.16Å | ||
| 11 | H | 37.8 | Very low | 43 | Very low | 123 Ų | 123 | 145.8 Ų | 145.8 | 57% | 0.569 | 77% | 0.772 | S | S | * | * | trans | -83.3 | 120.2 | 175.4 | -156.5 | -95.8 | 0 | 0 | 0 | 107.7 | L9 | L9-H11 HydrophobicContact CD2-CB 4.13Å; L9-H11 HydrophobicContact CG-CB 4.08Å; L9-H11 PolarHBondContact O-N 2.91Å | ||
| 12 | F | 36 | Very low | 43.3 | Very low | 128 Ų | 128 | 145.2 Ų | 145.2 | 56% | 0.561 | 76% | 0.763 | S | S | * | * | trans | 59.8 | 85.8 | 146.9 | -81.8 | -115.5 | 0 | 0 | 0 | 118.3 | I15 | F12-I15 HydrophobicContact CD1-CD1 3.72Å; F12-I15 HydrophobicContact CE1-CD1 3.28Å; F12-I15 HydrophobicContact CZ-CD1 4.02Å | ||
| 13 | D | 39.8 | Very low | 43.2 | Very low | 145 Ų | 145 | 140.8 Ų | 140.8 | 78% | 0.775 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -128.6 | 7.1 | 146.7 | -87 | -36.1 | 0 | 0 | 0 | 113.6 | I15 | D13-I15 VanDerWaalsContact C-N 3.33Å; D13-I15 PolarHBondContact O-N 3.39Å |
| 14 | L | 41.4 | Very low | 43.1 | Very low | 150 Ų | 150 | 141 Ų | 141 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -86 | 1.4 | -179.3 | -150.9 | 68 | 0 | 0 | 0 | 114.4 | ||
| 15 | I | 44.3 | Very low | 42.7 | Very low | 115 Ų | 115 | 139.2 Ų | 139.2 | 59% | 0.59 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -106.8 | -14.3 | -176.8 | -77.1 | 160.9 | 0 | 0 | 0 | 113.2 | F12 D13 | F12-I15 HydrophobicContact CD1-CD1 3.72Å; F12-I15 HydrophobicContact CE1-CD1 3.28Å; F12-I15 HydrophobicContact CZ-CD1 4.02Å; D13-I15 VanDerWaalsContact C-N 3.33Å; D13-I15 PolarHBondContact O-N 3.39Å |
| 16 | T | 46 | Very low | 41.9 | Very low | 104 Ų | 104 | 143.7 Ų | 143.7 | 64% | 0.638 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -87.7 | -21.7 | -179.6 | -50.9 | 0 | 0 | 0 | 0 | 113.5 | ||
| 17 | M | 43.7 | Very low | 41.8 | Very low | 161 Ų | 161 | 139.2 Ų | 139.2 | 79% | 0.793 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | -6.3 | 178.1 | -74.8 | -81.1 | -85.4 | 0 | 0 | 114.4 | ||
| 18 | K | 47.4 | Very low | 41.5 | Very low | 185 Ų | 185 | 137.9 Ų | 137.9 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | -1.3 | 176.5 | -74.2 | -172 | 173.4 | -179.6 | 0 | 114.2 | ||
| 19 | G | 44.2 | Very low | 41.7 | Very low | 65 Ų | 65 | 137.3 Ų | 137.3 | 67% | 0.67 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -102.8 | -8.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 20 | L | 44.4 | Very low | 42.6 | Very low | 151 Ų | 151 | 135.5 Ų | 135.5 | 79% | 0.791 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -118.6 | 3.5 | -165 | -98.7 | 149.2 | 0 | 0 | 0 | 116.1 | ||
| 21 | L | 45.7 | Very low | 43 | Very low | 167 Ų | 167 | 134.7 Ų | 134.7 | 87% | 0.874 | 73% | 0.729 | S | S | * | * | trans | -114.1 | 59.9 | 173.9 | -86.1 | 151 | 0 | 0 | 0 | 110.5 | ||||
| 22 | K | 44.6 | Very low | 43.7 | Very low | 211 Ų | 211 | 135.5 Ų | 135.5 | 92% | 0.917 | 73% | 0.732 | S | S | * | * | trans | -114.4 | 67.1 | 169.5 | -155.8 | 172.1 | -171.1 | 177.2 | 0 | 108.2 | ||||
| 23 | G | 41.5 | Very low | 45.1 | Very low | 60 Ų | 60 | 133.3 Ų | 133.3 | 62% | 0.619 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -169.3 | 104 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 24 | S | 38.3 | Very low | 46.9 | Very low | 116 Ų | 116 | 131.2 Ų | 131.2 | 81% | 0.811 | 72% | 0.721 | S | S | * | * | trans | 62.6 | 103.4 | 156.7 | -149.7 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 25 | C | 41.7 | Very low | 48.7 | Very low | 119 Ų | 119 | 129.9 Ų | 129.9 | 80% | 0.804 | 71% | 0.711 | S | S | * | * | 166.7 | 95.1 | 127.7 | -85.1 | 0 | 0 | 0 | 0 | 108.4 | S27 | C25-S27 PolarHBondContact O-N 3.29Š| |||
| 26 | K | 37.6 | Very low | 50.6 | Low | 215 Ų | 215 | 130.5 Ų | 130.5 | 94% | 0.935 | 71% | 0.711 | S | S | * | * | trans | -82.8 | 92.4 | 167.1 | -74.4 | 175.8 | 177.1 | 175.8 | 0 | 107.9 | ||||
| 27 | S | 39.1 | Very low | 52.5 | Low | 104 Ų | 104 | 133.5 Ų | 133.5 | 73% | 0.727 | 71% | 0.711 | S | S | * | * | trans | -175.1 | 125 | 152.4 | 43.1 | 0 | 0 | 0 | 0 | 110.6 | C25 | C25-S27 PolarHBondContact O-N 3.29Š| ||
| 28 | H | 37.9 | Very low | 54.6 | Low | 174 Ų | 174 | 129.1 Ų | 129.1 | 81% | 0.806 | 70% | 0.696 | S | S | * | * | trans | 80 | 142.7 | 155.7 | -135.9 | -92.9 | 0 | 0 | 0 | 118.5 | ||||
| 29 | M | 44.8 | Very low | 56.5 | Low | 113 Ų | 113 | 124.2 Ų | 124.2 | 56% | 0.557 | 68% | 0.677 | S | S | * | * | trans | 107.9 | 80.8 | 167.4 | -53.3 | -56.1 | -89.4 | 0 | 0 | 117.2 | L31 | M29-L31 VanDerWaalsContact C-N 3.3Š| ||
| 30 | P | 54.7 | Low | 58.6 | Low | 102 Ų | 102 | 127.5 Ų | 127.5 | 66% | 0.662 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -75.2 | -11.8 | 166.5 | 15.2 | -4.6 | 0 | 0 | 0 | 114.2 | F32 | P30-F32 PolarHBondContact O-N 3.42Š|
| 31 | L | 51.6 | Low | 60.8 | Low | 120 Ų | 120 | 125.8 Ų | 125.8 | 63% | 0.628 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -71.7 | -29 | -171.9 | -80.4 | 163.2 | 0 | 0 | 0 | 115.1 | M29 S33 D34 E35 | M29-L31 VanDerWaalsContact C-N 3.3Å; L31-S33 VanDerWaalsContact C-N 3.26Å; L31-S33 PolarHBondContact O-N 2.95Å; L31-D34 PolarHBondContact O-N 3.18Å; L31-E35 PolarHBondContact O-N 3.24Å |
| 32 | F | 54.1 | Low | 63 | Low | 140 Ų | 140 | 122.6 Ų | 122.6 | 61% | 0.614 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -69.9 | -22.4 | -179 | -108.7 | -86 | 0 | 0 | 0 | 113.5 | P30 Q36 | P30-F32 PolarHBondContact O-N 3.42Å; F32-Q36 WeakPolarHBondContact O-CG 3.44Å; F32-Q36 PolarHBondContact O-N 3.38Å |
| 33 | S | 64.1 | Low | 65.2 | Low | 83 Ų | 83 | 118.3 Ų | 118.3 | 58% | 0.58 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -80.3 | -31.8 | -179.1 | -166.6 | 0 | 0 | 0 | 0 | 112.5 | L31 R37 | L31-S33 VanDerWaalsContact C-N 3.26Å; L31-S33 PolarHBondContact O-N 2.95Å; S33-R37 WeakPolarHBondContact O-CB 3.43Å; S33-R37 PolarHBondContact O-N 3.43Å |
| 34 | D | 77.9 | Confident | 67.7 | Low | 100 Ų | 100 | 124.1 Ų | 124.1 | 54% | 0.535 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -77.3 | -37.6 | -178.8 | -70.7 | -24.1 | 0 | 0 | 0 | 111.2 | L31 R37 C38 | L31-D34 PolarHBondContact O-N 3.18Å; D34-R37 WeakPolarHBondContact O-CB 3.49Å; D34-R37 PolarHBondContact O-N 3.13Å; D34-C38 PolarHBondContact O-N 2.86Å |
| 35 | E | 80 | Confident | 70.3 | Confident | 122 Ų | 122 | 121 Ų | 121 | 57% | 0.57 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -64.9 | -44.4 | 175.9 | -168.3 | 172.4 | -171.4 | 0 | 0 | 111.8 | L31 R37 C38 I39 | L31-E35 PolarHBondContact O-N 3.24Å; E35-R37 VanDerWaalsContact C-N 3.26Å; E35-R37 PolarHBondContact O-N 3.03Å; E35-C38 PolarHBondContact O-N 2.88Å; E35-I39 HydrophobicContact CG-CD1 4.27Å; E35-I39 WeakPolarHBondContact O-CG1 3.17Å; E35-I39 PolarHBondContact O-N 2.97Å |
| 36 | Q | 83.9 | Confident | 72.7 | Confident | 129 Ų | 129 | 120.5 Ų | 120.5 | 60% | 0.603 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -61.5 | -34.9 | 174.4 | -74.7 | -176.7 | 5.4 | 0 | 0 | 112.7 | F32 F40 | F32-Q36 WeakPolarHBondContact O-CG 3.44Å; F32-Q36 PolarHBondContact O-N 3.38Å; Q36-F40 WeakPolarHBondContact O-CB 3.49Å; Q36-F40 PolarHBondContact O-N 2.66Å; Q36-F40 VanDerWaalsContact O-N 3.09Å |
| 37 | R | 84.8 | Confident | 75.4 | Confident | 166 Ų | 166 | 115.3 Ų | 115.3 | 63% | 0.626 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -68.1 | -43 | 175.9 | -169.9 | 179.2 | -172.5 | 170.4 | 6.1 | 111.6 | S33 D34 E35 F40 E41 | S33-R37 WeakPolarHBondContact O-CB 3.43Å; S33-R37 PolarHBondContact O-N 3.43Å; D34-R37 WeakPolarHBondContact O-CB 3.49Å; D34-R37 PolarHBondContact O-N 3.13Å; E35-R37 VanDerWaalsContact C-N 3.26Å; E35-R37 PolarHBondContact O-N 3.03Å; R37-F40 PolarHBondContact O-N 2.7Å; R37-E41 IonicContact NE-OE1 3.17Å; R37-E41 WeakPolarHBondContact O-CG 3.41Å; R37-E41 PolarHBondContact O-N 2.97Å |
| 38 | C | 88.6 | Confident | 78 | Confident | 70 Ų | 70 | 113 Ų | 113 | 47% | 0.473 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.1 | -44.7 | 176.8 | -172.5 | 0 | 0 | 0 | 0 | 111.7 | D34 E35 F40 E41 L42 | D34-C38 PolarHBondContact O-N 2.86Å; E35-C38 PolarHBondContact O-N 2.88Å; C38-F40 PolarHBondContact O-N 3.27Å; C38-E41 PolarHBondContact O-N 3.48Å; C38-L42 WeakPolarHBondContact O-CG 3.48Å; C38-L42 PolarHBondContact O-N 3.24Å |
| 39 | I | 86.5 | Confident | 80.7 | Confident | 81 Ų | 81 | 111.1 Ų | 111.1 | 42% | 0.415 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -59.1 | -47.1 | 176 | -67 | 166.2 | 0 | 0 | 0 | 110.6 | E35 E41 L42 E43 | E35-I39 HydrophobicContact CG-CD1 4.27Å; E35-I39 WeakPolarHBondContact O-CG1 3.17Å; E35-I39 PolarHBondContact O-N 2.97Å; I39-E41 VanDerWaalsContact C-N 3.33Å; I39-E41 PolarHBondContact O-N 3.15Å; I39-L42 PolarHBondContact O-N 2.95Å; I39-E43 HydrophobicContact CG2-CG 4.31Å; I39-E43 WeakPolarHBondContact O-CG 3.48Å; I39-E43 PolarHBondContact O-N 3.26Å |
| 40 | F | 89.4 | Confident | 83.1 | Confident | 135 Ų | 135 | 108.5 Ų | 108.5 | 59% | 0.592 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -62.2 | -38.1 | 179.3 | -174.4 | -98.6 | 0 | 0 | 0 | 113 | Q36 R37 C38 R44 | Q36-F40 WeakPolarHBondContact O-CB 3.49Å; Q36-F40 PolarHBondContact O-N 2.66Å; Q36-F40 VanDerWaalsContact O-N 3.09Å; R37-F40 PolarHBondContact O-N 2.7Å; C38-F40 PolarHBondContact O-N 3.27Å; F40-R44 WeakPolarHBondContact O-CB 3.3Å; F40-R44 PolarHBondContact O-N 3.29Å |
| 41 | E | 90.5 | Very high | 85 | Confident | 115 Ų | 115 | 109.7 Ų | 109.7 | 54% | 0.537 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67.7 | -39.9 | 175.4 | -73.9 | -178.9 | -173.1 | 0 | 0 | 112.2 | R37 C38 I39 R44 A45 | R37-E41 IonicContact NE-OE1 3.17Å; R37-E41 WeakPolarHBondContact O-CG 3.41Å; R37-E41 PolarHBondContact O-N 2.97Å; C38-E41 PolarHBondContact O-N 3.48Å; I39-E41 VanDerWaalsContact C-N 3.33Å; I39-E41 PolarHBondContact O-N 3.15Å; E41-R44 PolarHBondContact O-N 3.49Å; E41-A45 WeakPolarHBondContact O-CB 3.21Å; E41-A45 PolarHBondContact O-N 3.34Å |
| 42 | L | 91.2 | Very high | 87 | Confident | 100 Ų | 100 | 108.6 Ų | 108.6 | 52% | 0.524 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.7 | -45.8 | 174.5 | -74.7 | 169.1 | 0 | 0 | 0 | 111.9 | C38 I39 R44 A45 I46 | C38-L42 WeakPolarHBondContact O-CG 3.48Å; C38-L42 PolarHBondContact O-N 3.24Å; I39-L42 PolarHBondContact O-N 2.95Å; L42-R44 VanDerWaalsContact C-N 3.32Å; L42-R44 PolarHBondContact O-N 2.88Å; L42-A45 PolarHBondContact O-N 2.96Å; L42-I46 WeakPolarHBondContact O-CB 3.4Å; L42-I46 VanDerWaalsContact O-CG1 3.27Å; L42-I46 WeakPolarHBondContact O-CG1 3.34Å; L42-I46 PolarHBondContact O-N 3.23Å |
| 43 | E | 92 | Very high | 88.8 | Confident | 121 Ų | 121 | 106.5 Ų | 106.5 | 57% | 0.565 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -58 | -45.2 | 175.8 | -74 | 178.6 | 159.8 | 0 | 0 | 111.3 | I39 A45 I46 E47 | I39-E43 HydrophobicContact CG2-CG 4.31Å; I39-E43 WeakPolarHBondContact O-CG 3.48Å; I39-E43 PolarHBondContact O-N 3.26Å; E43-A45 PolarHBondContact O-N 3.4Å; E43-I46 PolarHBondContact O-N 3.45Å; E43-E47 WeakPolarHBondContact O-CB 3.33Å; E43-E47 PolarHBondContact O-N 3Å |
| 44 | R | 92.6 | Very high | 90.2 | Very high | 181 Ų | 181 | 106.3 Ų | 106.3 | 68% | 0.683 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.9 | -40.9 | 176.2 | -174.8 | -179.3 | 179.9 | -167.8 | 0.1 | 112.2 | F40 E41 L42 E47 A48 | F40-R44 WeakPolarHBondContact O-CB 3.3Å; F40-R44 PolarHBondContact O-N 3.29Å; E41-R44 PolarHBondContact O-N 3.49Å; L42-R44 VanDerWaalsContact C-N 3.32Å; L42-R44 PolarHBondContact O-N 2.88Å; R44-E47 PolarHBondContact O-N 3.43Å; R44-A48 WeakPolarHBondContact O-CB 3.27Å; R44-A48 PolarHBondContact O-N 2.85Å |
| 45 | A | 93.2 | Very high | 91.1 | Very high | 52 Ų | 52 | 105.7 Ų | 105.7 | 43% | 0.43 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.9 | -42.5 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | E41 L42 E43 A48 K49 | E41-A45 WeakPolarHBondContact O-CB 3.21Å; E41-A45 PolarHBondContact O-N 3.34Å; L42-A45 PolarHBondContact O-N 2.96Å; E43-A45 PolarHBondContact O-N 3.4Å; A45-A48 PolarHBondContact O-N 2.74Å; A45-K49 WeakPolarHBondContact O-CB 3.47Å; A45-K49 WeakPolarHBondContact O-CG 3.35Å; A45-K49 PolarHBondContact O-N 2.95Å |
| 46 | I | 93 | Very high | 91.8 | Very high | 108 Ų | 108 | 104.5 Ų | 104.5 | 55% | 0.554 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.9 | -42.9 | 175.6 | -69 | 165.9 | 0 | 0 | 0 | 110.4 | L42 E43 K49 T50 | L42-I46 WeakPolarHBondContact O-CB 3.4Å; L42-I46 VanDerWaalsContact O-CG1 3.27Å; L42-I46 WeakPolarHBondContact O-CG1 3.34Å; L42-I46 PolarHBondContact O-N 3.23Å; E43-I46 PolarHBondContact O-N 3.45Å; I46-K49 PolarHBondContact O-N 2.8Å; I46-T50 VanDerWaalsContact O-CB 3.27Å; I46-T50 WeakPolarHBondContact O-CB 3.5Å; I46-T50 PolarHBondContact O-N 2.93Å; I46-T50 PolarHBondContact O-OG1 3.37Å |
| 47 | E | 94.3 | Very high | 92.3 | Very high | 105 Ų | 105 | 105.3 Ų | 105.3 | 49% | 0.491 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.4 | -44.1 | 177.4 | -163.4 | -166.2 | 165.2 | 0 | 0 | 111.4 | E43 R44 T50 K51 | E43-E47 WeakPolarHBondContact O-CB 3.33Å; E43-E47 PolarHBondContact O-N 3Å; R44-E47 PolarHBondContact O-N 3.43Å; E47-T50 PolarHBondContact O-N 3.28Å; E47-K51 WeakPolarHBondContact O-CG 3.2Å; E47-K51 PolarHBondContact O-N 2.71Å; E47-K51 WeakPolarHBondContact OE1-CE 3.29Å; E47-K51 IonicContact OE1-NZ 3.37Å; E47-K51 PolarHBondContact OE1-NZ 3.04Å; E47-K51 IonicContact OE2-NZ 2.68Å |
| 48 | A | 94 | Very high | 92.7 | Very high | 57 Ų | 57 | 101 Ų | 101 | 47% | 0.471 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.2 | -46.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | R44 A45 T50 K51 E52 | R44-A48 WeakPolarHBondContact O-CB 3.27Å; R44-A48 PolarHBondContact O-N 2.85Å; A45-A48 PolarHBondContact O-N 2.74Å; A48-T50 VanDerWaalsContact C-N 3.32Å; A48-T50 PolarHBondContact O-N 2.92Å; A48-K51 PolarHBondContact O-N 3.4Å; A48-E52 PolarHBondContact O-N 3.23Å |
| 49 | K | 94.3 | Very high | 93.1 | Very high | 134 Ų | 134 | 103.5 Ų | 103.5 | 58% | 0.583 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -66.5 | -33.2 | 177 | -74.1 | -69 | 172.8 | -166.6 | 0 | 112.8 | A45 I46 E52 K53 | A45-K49 WeakPolarHBondContact O-CB 3.47Å; A45-K49 WeakPolarHBondContact O-CG 3.35Å; A45-K49 PolarHBondContact O-N 2.95Å; I46-K49 PolarHBondContact O-N 2.8Å; K49-E52 WeakPolarHBondContact CD-OE2 3.49Å; K49-E52 IonicContact NZ-OE2 2.64Å; K49-E52 PolarHBondContact NZ-OE2 3.44Å; K49-E52 PolarHBondContact O-N 3.33Å; K49-K53 WeakPolarHBondContact O-CB 3.46Å; K49-K53 PolarHBondContact O-N 2.91Å |
| 50 | T | 93.4 | Very high | 93.4 | Very high | 57 Ų | 57 | 104.7 Ų | 104.7 | 35% | 0.35 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.5 | -39.9 | 174.5 | -60.2 | 0 | 0 | 0 | 0 | 111.7 | I46 E47 A48 K53 N54 | I46-T50 VanDerWaalsContact O-CB 3.27Å; I46-T50 WeakPolarHBondContact O-CB 3.5Å; I46-T50 PolarHBondContact O-N 2.93Å; I46-T50 PolarHBondContact O-OG1 3.37Å; E47-T50 PolarHBondContact O-N 3.28Å; A48-T50 VanDerWaalsContact C-N 3.32Å; A48-T50 PolarHBondContact O-N 2.92Å; T50-K53 PolarHBondContact O-N 2.86Å; T50-N54 WeakPolarHBondContact O-CB 3.42Å; T50-N54 PolarHBondContact O-N 3.16Å; T50-N54 PolarHBondContact O-ND2 2.79Å |
| 51 | K | 95 | Very high | 93.7 | Very high | 127 Ų | 127 | 104.7 Ų | 104.7 | 55% | 0.552 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.1 | -44.2 | 173.3 | -73.7 | 171.6 | -176.5 | 164.8 | 0 | 111.7 | E47 A48 N54 N55 | E47-K51 WeakPolarHBondContact O-CG 3.2Å; E47-K51 PolarHBondContact O-N 2.71Å; E47-K51 WeakPolarHBondContact OE1-CE 3.29Å; E47-K51 IonicContact OE1-NZ 3.37Å; E47-K51 PolarHBondContact OE1-NZ 3.04Å; E47-K51 IonicContact OE2-NZ 2.68Å; A48-K51 PolarHBondContact O-N 3.4Å; K51-N54 PolarHBondContact O-N 2.87Å; K51-N55 WeakPolarHBondContact O-CB 3.36Å; K51-N55 PolarHBondContact O-N 2.91Å |
| 52 | E | 93.5 | Very high | 93.8 | Very high | 97 Ų | 97 | 102 Ų | 102 | 45% | 0.453 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.6 | -49 | 175.6 | -170.1 | -177.2 | 177.8 | 0 | 0 | 111.3 | A48 K49 N54 N55 L56 | A48-E52 PolarHBondContact O-N 3.23Å; K49-E52 WeakPolarHBondContact CD-OE2 3.49Å; K49-E52 IonicContact NZ-OE2 2.64Å; K49-E52 PolarHBondContact NZ-OE2 3.44Å; K49-E52 PolarHBondContact O-N 3.33Å; E52-N54 VanDerWaalsContact C-N 3.34Å; E52-N54 PolarHBondContact O-N 3.31Å; E52-N55 WeakPolarHBondContact O-CB 3.39Å; E52-N55 PolarHBondContact O-N 3.32Å; E52-L56 HydrophobicContact CG-CD1 4.37Å; E52-L56 WeakPolarHBondContact O-CG 3.32Å; E52-L56 PolarHBondContact O-N 3.01Å |
| 53 | K | 92.3 | Very high | 94 | Very high | 96 Ų | 96 | 102.3 Ų | 102.3 | 42% | 0.417 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -56.8 | -45 | 175.3 | -173.9 | -167.8 | 70.4 | 169.7 | 0 | 112.1 | K49 T50 L56 R57 | K49-K53 WeakPolarHBondContact O-CB 3.46Å; K49-K53 PolarHBondContact O-N 2.91Å; T50-K53 PolarHBondContact O-N 2.86Å; K53-L56 PolarHBondContact O-N 3.43Å; K53-R57 WeakPolarHBondContact O-CB 3.5Å; K53-R57 WeakPolarHBondContact O-CG 3.37Å; K53-R57 PolarHBondContact O-N 2.86Å |
| 54 | N | 94 | Very high | 94.1 | Very high | 80 Ų | 80 | 100.8 Ų | 100.8 | 43% | 0.428 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.9 | -36.4 | 179.7 | -71.2 | -19.9 | 0 | 0 | 0 | 112.1 | T50 K51 E52 R57 E58 | T50-N54 WeakPolarHBondContact O-CB 3.42Å; T50-N54 PolarHBondContact O-N 3.16Å; T50-N54 PolarHBondContact O-ND2 2.79Å; K51-N54 PolarHBondContact O-N 2.87Å; E52-N54 VanDerWaalsContact C-N 3.34Å; E52-N54 PolarHBondContact O-N 3.31Å; N54-R57 PolarHBondContact O-N 3.39Å; N54-E58 PolarHBondContact O-N 2.92Å |
| 55 | N | 96 | Very high | 94.2 | Very high | 86 Ų | 86 | 98.2 Ų | 98.2 | 46% | 0.46 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.6 | -45.8 | 173.3 | -171.6 | -67.5 | 0 | 0 | 0 | 111.6 | K51 E52 E58 K59 | K51-N55 WeakPolarHBondContact O-CB 3.36Å; K51-N55 PolarHBondContact O-N 2.91Å; E52-N55 WeakPolarHBondContact O-CB 3.39Å; E52-N55 PolarHBondContact O-N 3.32Å; N55-E58 PolarHBondContact O-N 3.34Å; N55-K59 WeakPolarHBondContact O-CG 3.26Å; N55-K59 PolarHBondContact O-N 3.09Å; N55-K59 WeakPolarHBondContact OD1-CE 3.37Å; N55-K59 PolarHBondContact OD1-NZ 3.48Å; N55-K59 VanDerWaalsContact OD1-NZ 3.09Å |
| 56 | L | 95.8 | Very high | 94.2 | Very high | 98 Ų | 98 | 100.2 Ų | 100.2 | 51% | 0.513 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.7 | -41.8 | 176.2 | -71.7 | 168.4 | 0 | 0 | 0 | 111.9 | E52 K53 E58 K59 L60 | E52-L56 HydrophobicContact CG-CD1 4.37Å; E52-L56 WeakPolarHBondContact O-CG 3.32Å; E52-L56 PolarHBondContact O-N 3.01Å; K53-L56 PolarHBondContact O-N 3.43Å; L56-E58 VanDerWaalsContact C-N 3.33Å; L56-E58 PolarHBondContact O-N 3.4Å; L56-K59 PolarHBondContact O-N 2.84Å; L56-L60 PolarHBondContact O-N 2.97Å |
| 57 | R | 93.9 | Very high | 94.1 | Very high | 145 Ų | 145 | 97.2 Ų | 97.2 | 55% | 0.547 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -59.1 | -41.7 | 173.6 | -77.8 | 179.5 | 172.6 | -170.2 | -5.6 | 111.9 | K53 N54 L60 R61 | K53-R57 WeakPolarHBondContact O-CB 3.5Å; K53-R57 WeakPolarHBondContact O-CG 3.37Å; K53-R57 PolarHBondContact O-N 2.86Å; N54-R57 PolarHBondContact O-N 3.39Å; R57-L60 PolarHBondContact O-N 3.28Å; R57-R61 WeakPolarHBondContact O-CG 3.5Å; R57-R61 PolarHBondContact O-N 2.94Å |
| 58 | E | 93.9 | Very high | 94 | Very high | 77 Ų | 77 | 98.3 Ų | 98.3 | 36% | 0.36 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -68.2 | -38.9 | 176.5 | -167.7 | 56.7 | -141.8 | 0 | 0 | 112.5 | N54 N55 L56 L60 R61 S62 R65 | N54-E58 PolarHBondContact O-N 2.92Å; N55-E58 PolarHBondContact O-N 3.34Å; L56-E58 VanDerWaalsContact C-N 3.33Å; L56-E58 PolarHBondContact O-N 3.4Å; E58-L60 VanDerWaalsContact C-N 3.34Å; E58-L60 PolarHBondContact O-N 3.16Å; E58-R61 PolarHBondContact O-N 3.42Å; E58-R61 IonicContact OE2-CZ 2.67Å; E58-R61 IonicContact OE2-NE 3.96Å; E58-R61 PolarHBondContact OE2-NE 3.41Å; E58-R61 IonicContact OE2-NH2 2.93Å; E58-R61 PolarHBondContact OE2-NH2 3.06Å; E58-S62 PolarHBondContact O-N 3.08Å; E58-R65 IonicContact OE1-NH1 3.99Å; E58-R65 PolarHBondContact OE1-NH1 2.9Å; E58-R65 IonicContact OE1-NH2 2.75Å |
| 59 | K | 95.5 | Very high | 93.9 | Very high | 122 Ų | 122 | 104.5 Ų | 104.5 | 53% | 0.53 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.1 | -44.2 | 173.4 | -74.4 | 172 | 175.1 | 164.8 | 0 | 111.6 | N55 L56 S62 I63 | N55-K59 WeakPolarHBondContact O-CG 3.26Å; N55-K59 PolarHBondContact O-N 3.09Å; N55-K59 WeakPolarHBondContact OD1-CE 3.37Å; N55-K59 PolarHBondContact OD1-NZ 3.48Å; N55-K59 VanDerWaalsContact OD1-NZ 3.09Å; L56-K59 PolarHBondContact O-N 2.84Å; K59-S62 WeakPolarHBondContact O-CB 3.38Å; K59-S62 PolarHBondContact O-N 2.93Å; K59-I63 WeakPolarHBondContact O-CG1 3.39Å; K59-I63 PolarHBondContact O-N 3.46Å |
| 60 | L | 93.4 | Very high | 93.8 | Very high | 105 Ų | 105 | 102.6 Ų | 102.6 | 55% | 0.55 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.9 | -45 | 175.8 | -175.9 | 63.5 | 0 | 0 | 0 | 111.4 | L56 R57 E58 S62 I63 L64 | L56-L60 PolarHBondContact O-N 2.97Å; R57-L60 PolarHBondContact O-N 3.28Å; E58-L60 VanDerWaalsContact C-N 3.34Å; E58-L60 PolarHBondContact O-N 3.16Å; L60-S62 VanDerWaalsContact C-N 3.28Å; L60-S62 PolarHBondContact O-N 2.95Å; L60-I63 PolarHBondContact O-N 3.26Å; L60-L64 HydrophobicContact CG-CD1 4.28Å; L60-L64 WeakPolarHBondContact O-CG 3.32Å; L60-L64 PolarHBondContact O-N 3.43Å |
| 61 | R | 95.3 | Very high | 93.7 | Very high | 136 Ų | 136 | 105 Ų | 105 | 51% | 0.513 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.7 | -39.2 | 173.9 | -73.3 | -166 | -72 | -149.7 | -2 | 112.3 | R57 E58 R65 | R57-R61 WeakPolarHBondContact O-CG 3.5Å; R57-R61 PolarHBondContact O-N 2.94Å; E58-R61 PolarHBondContact O-N 3.42Å; E58-R61 IonicContact OE2-CZ 2.67Å; E58-R61 IonicContact OE2-NE 3.96Å; E58-R61 PolarHBondContact OE2-NE 3.41Å; E58-R61 IonicContact OE2-NH2 2.93Å; E58-R61 PolarHBondContact OE2-NH2 3.06Å; R61-R65 WeakPolarHBondContact O-CG 3.36Å; R61-R65 PolarHBondContact O-N 3.31Å; R61-R65 VanDerWaalsContact O-N 3.12Å |
| 62 | S | 93.5 | Very high | 93.5 | Very high | 57 Ų | 57 | 101.9 Ų | 101.9 | 40% | 0.399 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.5 | -44 | 175.8 | -169.8 | 0 | 0 | 0 | 0 | 112.2 | E58 K59 L60 R65 L66 | E58-S62 PolarHBondContact O-N 3.08Å; K59-S62 WeakPolarHBondContact O-CB 3.38Å; K59-S62 PolarHBondContact O-N 2.93Å; L60-S62 VanDerWaalsContact C-N 3.28Å; L60-S62 PolarHBondContact O-N 2.95Å; S62-R65 PolarHBondContact O-N 3.48Å; S62-L66 WeakPolarHBondContact O-CG 3.43Å; S62-L66 PolarHBondContact O-N 3.34Å; S62-L66 VanDerWaalsContact O-N 3.12Å |
| 63 | I | 94.8 | Very high | 93.5 | Very high | 107 Ų | 107 | 101.9 Ų | 101.9 | 55% | 0.549 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.9 | -43.2 | 177.8 | -68.4 | 167.7 | 0 | 0 | 0 | 111.1 | K59 L60 R65 L66 S67 | K59-I63 WeakPolarHBondContact O-CG1 3.39Å; K59-I63 PolarHBondContact O-N 3.46Å; L60-I63 PolarHBondContact O-N 3.26Å; I63-R65 PolarHBondContact O-N 3.47Å; I63-L66 WeakPolarHBondContact O-CB 3.27Å; I63-L66 PolarHBondContact O-N 2.88Å; I63-L66 VanDerWaalsContact O-N 3.09Å; I63-S67 PolarHBondContact O-N 3.35Å |
| 64 | L | 94.5 | Very high | 93.5 | Very high | 89 Ų | 89 | 102.6 Ų | 102.6 | 47% | 0.466 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.6 | -42 | 177 | -72 | 170.3 | 0 | 0 | 0 | 112.2 | L60 L66 S67 E68 | L60-L64 HydrophobicContact CG-CD1 4.28Å; L60-L64 WeakPolarHBondContact O-CG 3.32Å; L60-L64 PolarHBondContact O-N 3.43Å; L64-L66 PolarHBondContact O-N 3.1Å; L64-S67 WeakPolarHBondContact CA-OG 3.47Å; L64-S67 PolarHBondContact O-N 2.93Å; L64-S67 PolarHBondContact O-OG 3.49Å; L64-E68 WeakPolarHBondContact O-CG 3.49Å; L64-E68 PolarHBondContact O-N 3.25Å |
| 65 | R | 93.8 | Very high | 93.4 | Very high | 128 Ų | 128 | 102.4 Ų | 102.4 | 48% | 0.483 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.1 | -32.9 | 173.7 | -70.5 | 175.8 | -167.6 | 122.3 | -4.1 | 112.6 | E58 R61 S62 I63 R69 | E58-R65 IonicContact OE1-NH1 3.99Å; E58-R65 PolarHBondContact OE1-NH1 2.9Å; E58-R65 IonicContact OE1-NH2 2.75Å; R61-R65 WeakPolarHBondContact O-CG 3.36Å; R61-R65 PolarHBondContact O-N 3.31Å; R61-R65 VanDerWaalsContact O-N 3.12Å; S62-R65 PolarHBondContact O-N 3.48Å; I63-R65 PolarHBondContact O-N 3.47Å; R65-R69 WeakPolarHBondContact O-CG 3.49Å; R65-R69 PolarHBondContact O-N 2.95Å |
| 66 | L | 93.6 | Very high | 93.2 | Very high | 94 Ų | 94 | 103.5 Ų | 103.5 | 49% | 0.492 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -74.2 | -39 | 176.3 | -70.2 | 175.4 | 0 | 0 | 0 | 111.9 | S62 I63 L64 R69 L70 | S62-L66 WeakPolarHBondContact O-CG 3.43Å; S62-L66 PolarHBondContact O-N 3.34Å; S62-L66 VanDerWaalsContact O-N 3.12Å; I63-L66 WeakPolarHBondContact O-CB 3.27Å; I63-L66 PolarHBondContact O-N 2.88Å; I63-L66 VanDerWaalsContact O-N 3.09Å; L64-L66 PolarHBondContact O-N 3.1Å; L66-R69 PolarHBondContact O-N 3.44Å; L66-L70 WeakPolarHBondContact O-CG 3.46Å; L66-L70 PolarHBondContact O-N 2.9Å |
| 67 | S | 90.8 | Very high | 93.1 | Very high | 45 Ų | 45 | 105.5 Ų | 105.5 | 32% | 0.315 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.6 | -45.3 | 174.9 | 60.2 | 0 | 0 | 0 | 0 | 111.2 | I63 L64 R69 L70 D71 | I63-S67 PolarHBondContact O-N 3.35Å; L64-S67 WeakPolarHBondContact CA-OG 3.47Å; L64-S67 PolarHBondContact O-N 2.93Å; L64-S67 PolarHBondContact O-OG 3.49Å; S67-R69 VanDerWaalsContact C-N 3.28Å; S67-R69 PolarHBondContact O-N 3.42Å; S67-L70 WeakPolarHBondContact O-CB 3.45Å; S67-L70 PolarHBondContact O-N 3.34Å; S67-D71 VanDerWaalsContact O-CG 3.31Å; S67-D71 PolarHBondContact O-N 3.27Å |
| 68 | E | 92.5 | Very high | 92.9 | Very high | 127 Ų | 127 | 104.4 Ų | 104.4 | 59% | 0.593 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -57.6 | -39.4 | 176.1 | -73.4 | 171.8 | -177.4 | 0 | 0 | 112.4 | L64 D71 A72 | L64-E68 WeakPolarHBondContact O-CG 3.49Å; L64-E68 PolarHBondContact O-N 3.25Å; E68-D71 PolarHBondContact O-N 3.08Å; E68-A72 PolarHBondContact O-N 3.49Å |
| 69 | R | 92.1 | Very high | 92.7 | Very high | 188 Ų | 188 | 105.2 Ų | 105.2 | 71% | 0.709 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -67.1 | -37.7 | 175.3 | -78.3 | 176.7 | 163.3 | -178.1 | -4.1 | 112.9 | R65 L66 S67 L73 | R65-R69 WeakPolarHBondContact O-CG 3.49Å; R65-R69 PolarHBondContact O-N 2.95Å; L66-R69 PolarHBondContact O-N 3.44Å; S67-R69 VanDerWaalsContact C-N 3.28Å; S67-R69 PolarHBondContact O-N 3.42Å; R69-L73 WeakPolarHBondContact O-CB 3.37Å; R69-L73 PolarHBondContact O-N 2.87Å; R69-L73 VanDerWaalsContact O-N 3.15Å |
| 70 | L | 92.3 | Very high | 92.3 | Very high | 93 Ų | 93 | 102 Ų | 102 | 49% | 0.487 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -69.4 | -40.6 | 176.2 | -75.7 | 170.1 | 0 | 0 | 0 | 111.2 | L66 S67 A72 L73 L74 | L66-L70 WeakPolarHBondContact O-CG 3.46Å; L66-L70 PolarHBondContact O-N 2.9Å; S67-L70 WeakPolarHBondContact O-CB 3.45Å; S67-L70 PolarHBondContact O-N 3.34Å; L70-A72 VanDerWaalsContact C-N 3.27Å; L70-A72 PolarHBondContact O-N 2.92Å; L70-L73 PolarHBondContact O-N 3.4Å; L70-L73 VanDerWaalsContact O-N 3.11Å; L70-L74 WeakPolarHBondContact O-CB 3.47Å; L70-L74 WeakPolarHBondContact O-CG 3.39Å; L70-L74 PolarHBondContact O-N 3.48Å |
| 71 | D | 91.5 | Very high | 92.1 | Very high | 107 Ų | 107 | 102.1 Ų | 102.1 | 57% | 0.572 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.2 | -32.6 | 177 | -68.7 | -25.1 | 0 | 0 | 0 | 111.9 | S67 E68 P75 | S67-D71 VanDerWaalsContact O-CG 3.31Å; S67-D71 PolarHBondContact O-N 3.27Å; E68-D71 PolarHBondContact O-N 3.08Å; D71-P75 WeakPolarHBondContact O-CD 3.38Å; D71-P75 WeakPolarHBondContact O-CG 3.28Å |
| 72 | A | 91.6 | Very high | 91.8 | Very high | 62 Ų | 62 | 99.7 Ų | 99.7 | 51% | 0.512 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -73.8 | -33.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | E68 L70 | E68-A72 PolarHBondContact O-N 3.49Å; L70-A72 VanDerWaalsContact C-N 3.27Å; L70-A72 PolarHBondContact O-N 2.92Å |
| 73 | L | 93.6 | Very high | 91.5 | Very high | 97 Ų | 97 | 102.4 Ų | 102.4 | 51% | 0.508 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -81.8 | -35.4 | -175.7 | -173.7 | 67.9 | 0 | 0 | 0 | 113.1 | R69 L70 L76 K77 | R69-L73 WeakPolarHBondContact O-CB 3.37Å; R69-L73 PolarHBondContact O-N 2.87Å; R69-L73 VanDerWaalsContact O-N 3.15Å; L70-L73 PolarHBondContact O-N 3.4Å; L70-L73 VanDerWaalsContact O-N 3.11Å; L73-L76 PolarHBondContact O-N 2.97Å; L73-K77 WeakPolarHBondContact O-CB 3.49Å; L73-K77 PolarHBondContact O-N 3.22Å |
| 74 | L | 91.3 | Very high | 90.9 | Very high | 111 Ų | 111 | 101.3 Ų | 101.3 | 58% | 0.581 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59.1 | -49.6 | -176 | -86.4 | 165.3 | 0 | 0 | 0 | 113 | L70 L76 K77 L78 | L70-L74 WeakPolarHBondContact O-CB 3.47Å; L70-L74 WeakPolarHBondContact O-CG 3.39Å; L70-L74 PolarHBondContact O-N 3.48Å; L74-L76 PolarHBondContact O-N 2.69Å; L74-K77 PolarHBondContact O-N 3.18Å; L74-L78 WeakPolarHBondContact O-CB 3.43Å; L74-L78 PolarHBondContact O-N 2.94Å |
| 75 | P | 92.7 | Very high | 90.4 | Very high | 76 Ų | 76 | 101.9 Ų | 101.9 | 49% | 0.494 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.7 | -42.2 | 177.2 | -23.7 | 34.2 | 0 | 0 | 0 | 112.8 | D71 K77 L78 E79 | D71-P75 WeakPolarHBondContact O-CD 3.38Å; D71-P75 WeakPolarHBondContact O-CG 3.28Å; P75-K77 VanDerWaalsContact C-N 3.31Å; P75-K77 PolarHBondContact O-N 3.46Å; P75-L78 PolarHBondContact O-N 3.32Å; P75-E79 WeakPolarHBondContact O-CB 3.39Å; P75-E79 PolarHBondContact O-N 3.48Å |
| 76 | L | 90.9 | Very high | 89.9 | Confident | 110 Ų | 110 | 102.9 Ų | 102.9 | 58% | 0.576 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.1 | -40 | 178.2 | -67.5 | 174 | 0 | 0 | 0 | 111.7 | L73 L74 S80 | L73-L76 PolarHBondContact O-N 2.97Å; L74-L76 PolarHBondContact O-N 2.69Å; L76-S80 WeakPolarHBondContact O-CB 3.34Å; L76-S80 PolarHBondContact O-N 3.35Å |
| 77 | K | 93.1 | Very high | 89.1 | Confident | 140 Ų | 140 | 105.9 Ų | 105.9 | 61% | 0.609 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -73 | -36.3 | 178.3 | -161.7 | 160 | -176.1 | 171.5 | 0 | 111.9 | L73 L74 P75 K81 | L73-K77 WeakPolarHBondContact O-CB 3.49Å; L73-K77 PolarHBondContact O-N 3.22Å; L74-K77 PolarHBondContact O-N 3.18Å; P75-K77 VanDerWaalsContact C-N 3.31Å; P75-K77 PolarHBondContact O-N 3.46Å; K77-K81 WeakPolarHBondContact O-CG 3.34Å; K77-K81 PolarHBondContact O-N 3.09Å |
| 78 | L | 91.2 | Very high | 88.4 | Confident | 121 Ų | 121 | 110.7 Ų | 110.7 | 63% | 0.634 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.1 | -48.7 | 173.2 | -176.2 | 67.7 | 0 | 0 | 0 | 110.9 | L74 P75 S80 K81 E82 | L74-L78 WeakPolarHBondContact O-CB 3.43Å; L74-L78 PolarHBondContact O-N 2.94Å; P75-L78 PolarHBondContact O-N 3.32Å; L78-S80 VanDerWaalsContact C-N 3.33Å; L78-S80 PolarHBondContact O-N 2.99Å; L78-K81 PolarHBondContact O-N 3.45Å; L78-E82 WeakPolarHBondContact O-CB 3.37Å; L78-E82 PolarHBondContact O-N 2.86Å |
| 79 | E | 89 | Confident | 87.6 | Confident | 94 Ų | 94 | 110.9 Ų | 110.9 | 44% | 0.439 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.8 | -39 | 179.6 | -163.4 | -150.5 | 124.5 | 0 | 0 | 111.8 | P75 E82 R83 | P75-E79 WeakPolarHBondContact O-CB 3.39Å; P75-E79 PolarHBondContact O-N 3.48Å; E79-E82 PolarHBondContact O-N 2.97Å; E79-R83 WeakPolarHBondContact O-CB 3.42Å; E79-R83 PolarHBondContact O-N 2.75Å; E79-R83 IonicContact OE1-CZ 2.71Å; E79-R83 IonicContact OE1-NE 3.73Å; E79-R83 PolarHBondContact OE1-NE 3.3Å; E79-R83 IonicContact OE1-NH2 3.85Å; E79-R83 PolarHBondContact OE1-NH2 3.45Å |
| 80 | S | 87.3 | Confident | 86.1 | Confident | 55 Ų | 55 | 107.8 Ų | 107.8 | 39% | 0.385 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.9 | -45.1 | 173.5 | -172.2 | 0 | 0 | 0 | 0 | 112 | L76 L78 R83 E84 | L76-S80 WeakPolarHBondContact O-CB 3.34Å; L76-S80 PolarHBondContact O-N 3.35Å; L78-S80 VanDerWaalsContact C-N 3.33Å; L78-S80 PolarHBondContact O-N 2.99Å; S80-R83 PolarHBondContact O-N 3.32Å; S80-E84 WeakPolarHBondContact O-CB 3.46Å; S80-E84 PolarHBondContact O-N 3.5Å |
| 81 | K | 90.1 | Very high | 84.5 | Confident | 108 Ų | 108 | 108.8 Ų | 108.8 | 47% | 0.47 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -69 | -33.9 | 176.5 | -73 | -72.7 | 164.9 | -162.1 | 0 | 112.6 | K77 L78 E84 L85 | K77-K81 WeakPolarHBondContact O-CG 3.34Å; K77-K81 PolarHBondContact O-N 3.09Å; L78-K81 PolarHBondContact O-N 3.45Å; K81-E84 WeakPolarHBondContact CD-OE2 3.5Å; K81-E84 WeakPolarHBondContact CE-OE2 3.16Å; K81-E84 IonicContact NZ-OE1 3.5Å; K81-E84 IonicContact NZ-OE2 3.03Å; K81-E84 PolarHBondContact NZ-OE2 3.21Å; K81-E84 PolarHBondContact O-N 3.2Å; K81-L85 WeakPolarHBondContact O-CB 3.04Å; K81-L85 WeakPolarHBondContact O-CG 3.35Å; K81-L85 PolarHBondContact O-N 3.37Å |
| 82 | E | 88.4 | Confident | 82.7 | Confident | 84 Ų | 84 | 109.3 Ų | 109.3 | 39% | 0.393 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66.6 | -42.7 | 173.8 | -166 | -172.7 | 153.9 | 0 | 0 | 111.3 | L78 E79 L85 R86 | L78-E82 WeakPolarHBondContact O-CB 3.37Å; L78-E82 PolarHBondContact O-N 2.86Å; E79-E82 PolarHBondContact O-N 2.97Å; E82-L85 PolarHBondContact O-N 2.97Å; E82-R86 WeakPolarHBondContact O-CB 3.39Å; E82-R86 VanDerWaalsContact O-CG 3.25Å; E82-R86 WeakPolarHBondContact O-CG 3.38Å; E82-R86 PolarHBondContact O-N 3.49Å; E82-R86 IonicContact OE1-CZ 3.12Å; E82-R86 IonicContact OE1-NE 3.82Å; E82-R86 PolarHBondContact OE1-NE 3.42Å; E82-R86 VanDerWaalsContact OE1-NE 3.12Å; E82-R86 IonicContact OE1-NH2 2.9Å; E82-R86 PolarHBondContact OE1-NH2 2.95Å |
| 83 | R | 86.2 | Confident | 80.8 | Confident | 115 Ų | 115 | 112.1 Ų | 112.1 | 43% | 0.434 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -62.2 | -43.5 | 173 | -80.4 | -172.7 | -91.2 | 103.4 | -4.2 | 112.2 | E79 S80 L85 R86 H87 | E79-R83 WeakPolarHBondContact O-CB 3.42Å; E79-R83 PolarHBondContact O-N 2.75Å; E79-R83 IonicContact OE1-CZ 2.71Å; E79-R83 IonicContact OE1-NE 3.73Å; E79-R83 PolarHBondContact OE1-NE 3.3Å; E79-R83 IonicContact OE1-NH2 3.85Å; E79-R83 PolarHBondContact OE1-NH2 3.45Å; S80-R83 PolarHBondContact O-N 3.32Å; R83-L85 VanDerWaalsContact C-N 3.35Å; R83-L85 PolarHBondContact O-N 3.26Å; R83-R86 PolarHBondContact O-N 3.48Å; R83-H87 PolarHBondContact O-CD2 3.25Å; R83-H87 PolarHBondContact O-N 3.28Å; R83-H87 VanDerWaalsContact O-N 3.1Å |
| 84 | E | 83.1 | Confident | 78.6 | Confident | 84 Ų | 84 | 113.2 Ų | 113.2 | 39% | 0.393 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -58.1 | -46.9 | 174.6 | -173.5 | 177.9 | 177.7 | 0 | 0 | 111 | S80 K81 R86 H87 F88 | S80-E84 WeakPolarHBondContact O-CB 3.46Å; S80-E84 PolarHBondContact O-N 3.5Å; K81-E84 WeakPolarHBondContact CD-OE2 3.5Å; K81-E84 WeakPolarHBondContact CE-OE2 3.16Å; K81-E84 IonicContact NZ-OE1 3.5Å; K81-E84 IonicContact NZ-OE2 3.03Å; K81-E84 PolarHBondContact NZ-OE2 3.21Å; K81-E84 PolarHBondContact O-N 3.2Å; E84-R86 PolarHBondContact O-N 3.33Å; E84-H87 WeakPolarHBondContact O-CB 3.38Å; E84-H87 PolarHBondContact O-N 3.4Å; E84-F88 HydrophobicContact CG-CD2 4.32Å; E84-F88 HydrophobicContact CG-CE2 3.8Å; E84-F88 WeakPolarHBondContact O-CD2 3.48Å; E84-F88 PolarHBondContact O-N 2.87Å |
| 85 | L | 84.3 | Confident | 76.4 | Confident | 101 Ų | 101 | 118.6 Ų | 118.6 | 53% | 0.529 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -63.2 | -39.8 | 175.4 | -76.9 | 167.1 | 0 | 0 | 0 | 113 | K81 E82 R83 H87 F88 L89 | K81-L85 WeakPolarHBondContact O-CB 3.04Å; K81-L85 WeakPolarHBondContact O-CG 3.35Å; K81-L85 PolarHBondContact O-N 3.37Å; E82-L85 PolarHBondContact O-N 2.97Å; R83-L85 VanDerWaalsContact C-N 3.35Å; R83-L85 PolarHBondContact O-N 3.26Å; L85-H87 VanDerWaalsContact C-N 3.26Å; L85-H87 PolarHBondContact O-N 3.2Å; L85-F88 PolarHBondContact O-N 3.45Å; L85-L89 WeakPolarHBondContact O-CB 3.4Å; L85-L89 WeakPolarHBondContact O-CG 3.49Å; L85-L89 PolarHBondContact O-N 2.98Å |
| 86 | R | 82.8 | Confident | 74 | Confident | 148 Ų | 148 | 120.4 Ų | 120.4 | 56% | 0.558 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -60.5 | -35.1 | 176.3 | -74.6 | 169.5 | -179.7 | -115.9 | 6.6 | 111.9 | E82 R83 E84 F88 L90 | E82-R86 WeakPolarHBondContact O-CB 3.39Å; E82-R86 VanDerWaalsContact O-CG 3.25Å; E82-R86 WeakPolarHBondContact O-CG 3.38Å; E82-R86 PolarHBondContact O-N 3.49Å; E82-R86 IonicContact OE1-CZ 3.12Å; E82-R86 IonicContact OE1-NE 3.82Å; E82-R86 PolarHBondContact OE1-NE 3.42Å; E82-R86 VanDerWaalsContact OE1-NE 3.12Å; E82-R86 IonicContact OE1-NH2 2.9Å; E82-R86 PolarHBondContact OE1-NH2 2.95Å; R83-R86 PolarHBondContact O-N 3.48Å; E84-R86 PolarHBondContact O-N 3.33Å; R86-F88 VanDerWaalsContact C-N 3.31Å; R86-F88 PolarHBondContact O-N 3.48Å; R86-L90 WeakPolarHBondContact O-CD1 3.27Å; R86-L90 PolarHBondContact O-N 2.67Å |
| 87 | H | 77.1 | Confident | 71.8 | Confident | 158 Ų | 158 | 122.3 Ų | 122.3 | 73% | 0.731 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -67.9 | -27.4 | 173.9 | -74.2 | -60.1 | 0 | 0 | 0 | 113.7 | R83 E84 L85 | R83-H87 PolarHBondContact O-CD2 3.25Å; R83-H87 PolarHBondContact O-N 3.28Å; R83-H87 VanDerWaalsContact O-N 3.1Å; E84-H87 WeakPolarHBondContact O-CB 3.38Å; E84-H87 PolarHBondContact O-N 3.4Å; L85-H87 VanDerWaalsContact C-N 3.26Å; L85-H87 PolarHBondContact O-N 3.2Å |
| 88 | F | 76.4 | Confident | 69.3 | Low | 145 Ų | 145 | 119.9 Ų | 119.9 | 64% | 0.636 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -87.4 | -28.7 | 177.3 | -70.9 | -67.9 | 0 | 0 | 0 | 113.5 | E84 L85 R86 | E84-F88 HydrophobicContact CG-CD2 4.32Å; E84-F88 HydrophobicContact CG-CE2 3.8Å; E84-F88 WeakPolarHBondContact O-CD2 3.48Å; E84-F88 PolarHBondContact O-N 2.87Å; L85-F88 PolarHBondContact O-N 3.45Å; R86-F88 VanDerWaalsContact C-N 3.31Å; R86-F88 PolarHBondContact O-N 3.48Å |
| 89 | L | 74.5 | Confident | 67.3 | Low | 132 Ų | 132 | 120.4 Ų | 120.4 | 69% | 0.691 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -96.6 | -17.1 | -170.9 | -69.1 | 172.9 | 0 | 0 | 0 | 115.3 | L85 P91 | L85-L89 WeakPolarHBondContact O-CB 3.4Å; L85-L89 WeakPolarHBondContact O-CG 3.49Å; L85-L89 PolarHBondContact O-N 2.98Å; L89-P91 WeakPolarHBondContact O-CD 3.41Å |
| 90 | L | 61.8 | Low | 65 | Low | 122 Ų | 122 | 123.3 Ų | 123.3 | 64% | 0.639 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -86.1 | 121.5 | 172.4 | -90 | 86.4 | 0 | 0 | 0 | 110.7 | R86 S92 | R86-L90 WeakPolarHBondContact O-CD1 3.27Å; R86-L90 PolarHBondContact O-N 2.67Å; L90-S92 PolarHBondContact O-N 3.48Å; L90-S92 VanDerWaalsContact O-N 3.13Å |
| 91 | P | 57 | Low | 63.3 | Low | 114 Ų | 114 | 128.9 Ų | 128.9 | 74% | 0.74 | 68% | 0.683 | S | S | * | * | trans | -59.8 | 116.1 | 163 | -18 | 31.3 | 0 | 0 | 0 | 108.7 | L89 V93 | L89-P91 WeakPolarHBondContact O-CD 3.41Å; P91-V93 PolarHBondContact O-N 3.28Å | ||
| 92 | S | 53.9 | Low | 61.1 | Low | 119 Ų | 119 | 130.7 Ų | 130.7 | 83% | 0.832 | 70% | 0.698 | S | S | * | * | trans | -60.2 | 100.5 | 169.8 | -61.5 | 0 | 0 | 0 | 0 | 108.9 | L90 P94 | L90-S92 PolarHBondContact O-N 3.48Å; L90-S92 VanDerWaalsContact O-N 3.13Å; S92-P94 WeakPolarHBondContact O-CD 3.43Å | ||
| 93 | V | 52.1 | Low | 59 | Low | 121 Ų | 121 | 131.1 Ų | 131.1 | 73% | 0.733 | 72% | 0.715 | S | S | * | * | trans | -64.9 | 120.4 | 164.6 | 178.9 | 0 | 0 | 0 | 0 | 106.7 | P91 R95 | P91-V93 PolarHBondContact O-N 3.28Å; V93-R95 PolarHBondContact O-N 2.96Å | ||
| 94 | P | 47.4 | Very low | 57 | Low | 119 Ų | 119 | 132.4 Ų | 132.4 | 77% | 0.773 | 73% | 0.731 | S | S | * | * | trans | -64.3 | 111.5 | 174.6 | -14.2 | 28 | 0 | 0 | 0 | 108.2 | S92 S96 | S92-P94 WeakPolarHBondContact O-CD 3.43Å; P94-S96 PolarHBondContact O-N 3.42Å | ||
| 95 | R | 46 | Very low | 55.2 | Low | 225 Ų | 225 | 136.6 Ų | 136.6 | 85% | 0.849 | 75% | 0.748 | S | S | * | * | trans | -69.7 | 113.8 | 165.3 | -81.4 | -176.9 | 163.1 | 137 | -3.5 | 107.5 | V93 N97 | V93-R95 PolarHBondContact O-N 2.96Å; R95-N97 PolarHBondContact O-N 3.27Å | ||
| 96 | S | 40.4 | Very low | 53.4 | Low | 114 Ų | 114 | 138.2 Ų | 138.2 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | trans | -62.6 | 110.4 | 165.7 | 52 | 0 | 0 | 0 | 0 | 108.9 | P94 A98 | P94-S96 PolarHBondContact O-N 3.42Å; S96-A98 PolarHBondContact O-N 2.97Å | ||
| 97 | N | 45.3 | Very low | 51.5 | Low | 150 Ų | 150 | 139.2 Ų | 139.2 | 80% | 0.802 | 77% | 0.767 | S | S | * | * | trans | -92.9 | 92.1 | 166.2 | -60.2 | -8.9 | 0 | 0 | 0 | 106.6 | R95 | R95-N97 PolarHBondContact O-N 3.27Š| ||
| 98 | A | 42 | Very low | 49.8 | Very low | 89 Ų | 89 | 137.4 Ų | 137.4 | 74% | 0.736 | 77% | 0.768 | S | S | * | * | trans | -71.5 | 124.3 | 151.7 | 0 | 0 | 0 | 0 | 0 | 106.7 | S96 | S96-A98 PolarHBondContact O-N 2.97Š| ||
| 99 | C | 49.2 | Very low | 48.1 | Very low | 131 Ų | 131 | 136.3 Ų | 136.3 | 89% | 0.885 | 77% | 0.773 | S | S | * | * | trans | -178.9 | 117.2 | 151.7 | -87.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 100 | D | 40.4 | Very low | 46.4 | Very low | 155 Ų | 155 | 135.8 Ų | 135.8 | 83% | 0.829 | 78% | 0.781 | S | S | * | * | trans | -53.2 | 142.3 | 176.5 | -56.2 | -72.8 | 0 | 0 | 0 | 114.5 | ||||
| 101 | I | 50.9 | Low | 45.4 | Very low | 173 Ų | 173 | 133.6 Ų | 133.6 | 89% | 0.887 | 79% | 0.787 | S | S | * | * | trans | -144.5 | 128 | 141.4 | -61.4 | -172.4 | 0 | 0 | 0 | 109.2 | ||||
| 102 | D | 43.6 | Very low | 44.4 | Very low | 146 Ų | 146 | 131.8 Ų | 131.8 | 78% | 0.781 | 79% | 0.789 | S | S | * | * | trans | -61 | 149.6 | -175.3 | -74.8 | -61.4 | 0 | 0 | 0 | 118 | ||||
| 103 | A | 45.5 | Very low | 43.4 | Very low | 92 Ų | 92 | 132 Ų | 132 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | trans | 35.6 | 116.6 | 137 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 104 | N | 42.5 | Very low | 43 | Very low | 143 Ų | 143 | 132.5 Ų | 132.5 | 77% | 0.765 | 79% | 0.793 | S | S | * | * | -168.4 | 117 | 111.7 | -139.8 | -7.2 | 0 | 0 | 0 | 113.5 | |||||
| 105 | K | 46.1 | Very low | 42.8 | Very low | 172 Ų | 172 | 134.5 Ų | 134.5 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | trans | 33.9 | 113.2 | 137.2 | -79.4 | -179.4 | 179.7 | 171.4 | 0 | 121.3 | ||||
| 106 | N | 45.8 | Very low | 42.6 | Very low | 134 Ų | 134 | 128.8 Ų | 128.8 | 72% | 0.717 | 79% | 0.79 | S | S | * | * | 147.1 | 142.6 | 100.4 | -81.9 | -16 | 0 | 0 | 0 | 114.9 | |||||
| 107 | H | 43.5 | Very low | 43 | Very low | 169 Ų | 169 | 127.8 Ų | 127.8 | 78% | 0.782 | 78% | 0.783 | S | S | * | * | trans | 71.9 | 95.6 | 165.4 | -75.8 | -73 | 0 | 0 | 0 | 117.9 | ||||
| 108 | T | 41.4 | Very low | 42.8 | Very low | 120 Ų | 120 | 128.3 Ų | 128.3 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | 69.9 | 109.7 | 77.6 | -45.2 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 109 | T | 41.6 | Very low | 43.3 | Very low | 123 Ų | 123 | 130 Ų | 130 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | trans | 125.4 | 104.3 | 134.3 | -41 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 110 | S | 38.8 | Very low | 43.5 | Very low | 121 Ų | 121 | 134 Ų | 134 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | trans | 50.4 | 110 | 138 | 167 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 111 | G | 39.7 | Very low | 44.2 | Very low | 75 Ų | 75 | 132.4 Ų | 132.4 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | trans | 163.7 | 100.9 | 152 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 112 | G | 37.4 | Very low | 44.1 | Very low | 76 Ų | 76 | 130.6 Ų | 130.6 | 78% | 0.784 | 78% | 0.778 | S | S | * | * | trans | 58.3 | 95.9 | 147.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | T114 | G112-T114 PolarHBondContact O-N 3.41Š| ||
| 113 | C | 32 | Very low | 44.4 | Very low | 124 Ų | 124 | 129.3 Ų | 129.3 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | trans | -84.1 | 103.5 | 162.4 | -162.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 114 | T | 43.9 | Very low | 44.4 | Very low | 132 Ų | 132 | 129.3 Ų | 129.3 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | trans | -100.1 | 111.6 | 159.7 | 44.2 | 0 | 0 | 0 | 0 | 108.5 | G112 S116 | G112-T114 PolarHBondContact O-N 3.41Å; T114-S116 PolarHBondContact O-N 3.36Å | ||
| 115 | I | 43.4 | Very low | 44.4 | Very low | 161 Ų | 161 | 131.1 Ų | 131.1 | 83% | 0.826 | 78% | 0.781 | S | S | * | * | trans | -65.4 | 100 | 169.2 | -63 | 169.1 | 0 | 0 | 0 | 106.7 | S117 | I115-S117 PolarHBondContact O-N 2.73Š| ||
| 116 | S | 42.2 | Very low | 44.2 | Very low | 104 Ų | 104 | 128 Ų | 128 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | trans | -85.1 | 109.2 | 172.6 | -157 | 0 | 0 | 0 | 0 | 109 | T114 N118 | T114-S116 PolarHBondContact O-N 3.36Å; S116-N118 PolarHBondContact O-N 2.9Å | ||
| 117 | S | 47.2 | Very low | 43.5 | Very low | 93 Ų | 93 | 127.5 Ų | 127.5 | 65% | 0.65 | 78% | 0.783 | S | S | * | * | trans | -66.2 | 114.9 | 172.5 | 53.7 | 0 | 0 | 0 | 0 | 110.3 | I115 V119 | I115-S117 PolarHBondContact O-N 2.73Å; S117-V119 PolarHBondContact O-N 3.17Å | ||
| 118 | N | 42.4 | Very low | 43.1 | Very low | 162 Ų | 162 | 125 Ų | 125 | 87% | 0.866 | 78% | 0.784 | S | S | * | * | trans | -71.3 | 88.9 | 170.2 | -74.6 | -12.3 | 0 | 0 | 0 | 110.4 | S116 | S116-N118 PolarHBondContact O-N 2.9Š| ||
| 119 | V | 50.9 | Low | 42.8 | Very low | 125 Ų | 125 | 123 Ų | 123 | 76% | 0.758 | 79% | 0.788 | S | S | * | * | trans | -98 | 110.4 | 162.5 | -179.5 | 0 | 0 | 0 | 0 | 107.5 | S117 | S117-V119 PolarHBondContact O-N 3.17Š| ||
| 120 | R | 54.2 | Low | 42.5 | Very low | 214 Ų | 214 | 125.5 Ų | 125.5 | 81% | 0.808 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 134.5 | 172.7 | -103.4 | -178 | -178.8 | -160.6 | -0.2 | 110 | ||
| 121 | P | 54.6 | Low | 42.8 | Very low | 122 Ų | 122 | 126.4 Ų | 126.4 | 79% | 0.792 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 127.4 | 173.8 | 29.2 | -30.1 | 0 | 0 | 0 | 110.3 | ||
| 122 | V | 50.4 | Low | 42.6 | Very low | 134 Ų | 134 | 132.8 Ų | 132.8 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 131.9 | 164.6 | 176.1 | 0 | 0 | 0 | 0 | 107.5 | S124 | V122-S124 PolarHBondContact O-N 2.9Š|
| 123 | P | 48.4 | Very low | 42.6 | Very low | 119 Ų | 119 | 135.2 Ų | 135.2 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 116.5 | 178 | -8.5 | 23.3 | 0 | 0 | 0 | 109.7 | L125 | P123-L125 PolarHBondContact O-N 2.64Š|
| 124 | S | 46.2 | Very low | 42.8 | Very low | 93 Ų | 93 | 133.6 Ų | 133.6 | 65% | 0.65 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 119.9 | 163.1 | 64.9 | 0 | 0 | 0 | 0 | 108.4 | V122 V126 | V122-S124 PolarHBondContact O-N 2.9Å; S124-V126 PolarHBondContact O-N 3.04Å; S124-V126 VanDerWaalsContact OG-CG2 3.27Å; S124-V126 WeakPolarHBondContact OG-CG2 3.49Å |
| 125 | L | 42.4 | Very low | 42.6 | Very low | 181 Ų | 181 | 135.2 Ų | 135.2 | 95% | 0.948 | 81% | 0.807 | S | S | * | * | trans | -66.6 | 91.6 | 162.3 | -76.5 | 169.2 | 0 | 0 | 0 | 107.8 | P123 | P123-L125 PolarHBondContact O-N 2.64Š| ||
| 126 | V | 41.5 | Very low | 42.4 | Very low | 105 Ų | 105 | 132.3 Ų | 132.3 | 64% | 0.636 | 80% | 0.801 | S | S | * | * | trans | -83.7 | 117.3 | 168 | -169.4 | 0 | 0 | 0 | 0 | 107.2 | S124 S128 | S124-V126 PolarHBondContact O-N 3.04Å; S124-V126 VanDerWaalsContact OG-CG2 3.27Å; S124-V126 WeakPolarHBondContact OG-CG2 3.49Å; V126-S128 PolarHBondContact O-N 3.24Å; V126-S128 VanDerWaalsContact O-N 3.1Å; V126-S128 PolarHBondContact O-OG 2.96Å; V126-S128 VanDerWaalsContact O-OG 3.05Å | ||
| 127 | S | 31.2 | Very low | 42.6 | Very low | 124 Ų | 124 | 135.1 Ų | 135.1 | 87% | 0.867 | 81% | 0.807 | S | S | * | * | trans | -38.5 | 111.6 | 168.1 | -54.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 128 | S | 35.6 | Very low | 42.3 | Very low | 117 Ų | 117 | 139 Ų | 139 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | trans | -131.3 | 119.1 | 174.7 | -52.7 | 0 | 0 | 0 | 0 | 107.3 | V126 | V126-S128 PolarHBondContact O-N 3.24Å; V126-S128 VanDerWaalsContact O-N 3.1Å; V126-S128 PolarHBondContact O-OG 2.96Å; V126-S128 VanDerWaalsContact O-OG 3.05Å | ||
| 129 | G | 35 | Very low | 42.1 | Very low | 79 Ų | 79 | 134.6 Ų | 134.6 | 81% | 0.814 | 81% | 0.812 | S | S | * | * | trans | 141.1 | 53.4 | 164.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | T131 | G129-T131 PolarHBondContact O-N 3.19Š| ||
| 130 | L | 35.5 | Very low | 41.8 | Very low | 175 Ų | 175 | 135 Ų | 135 | 92% | 0.916 | 82% | 0.817 | S | S | * | * | trans | -72 | 108.9 | 147.4 | -123.1 | 80.6 | 0 | 0 | 0 | 106.9 | ||||
| 131 | T | 44.1 | Very low | 41.1 | Very low | 140 Ų | 140 | 129.7 Ų | 129.7 | 86% | 0.859 | 82% | 0.819 | S | S | * | * | trans | -162.7 | 125.3 | 143.4 | 45.5 | 0 | 0 | 0 | 0 | 109.3 | G129 | G129-T131 PolarHBondContact O-N 3.19Š| ||
| 132 | K | 35.4 | Very low | 40.3 | Very low | 208 Ų | 208 | 131.8 Ų | 131.8 | 90% | 0.904 | 82% | 0.824 | S | S | * | * | trans | -67.6 | 137.9 | 175.3 | -60.5 | 166 | 178.8 | 176.1 | 0 | 109.6 | ||||
| 133 | S | 37.5 | Very low | 39.8 | Very low | 128 Ų | 128 | 129.9 Ų | 129.9 | 90% | 0.895 | 82% | 0.822 | S | S | * | * | trans | -140.1 | 123.5 | 143.5 | -105.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 134 | A | 37.7 | Very low | 39.2 | Very low | 89 Ų | 89 | 130.6 Ų | 130.6 | 74% | 0.736 | 82% | 0.824 | S | S | * | * | trans | -67.2 | 136.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 135 | D | 39.7 | Very low | 38.9 | Very low | 166 Ų | 166 | 130.8 Ų | 130.8 | 89% | 0.888 | 83% | 0.831 | S | S | * | * | -154.5 | 128.5 | 129 | -110.8 | -23.8 | 0 | 0 | 0 | 110.9 | |||||
| 136 | S | 38.1 | Very low | 38.6 | Very low | 100 Ų | 100 | 132.4 Ų | 132.4 | 70% | 0.699 | 83% | 0.825 | S | S | * | * | trans | -69.6 | 154.5 | -174.6 | -55.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 137 | L | 45.9 | Very low | 38.3 | Very low | 163 Ų | 163 | 134.2 Ų | 134.2 | 85% | 0.853 | 83% | 0.83 | S | S | * | * | trans | 155.9 | 88.5 | 136.3 | -82.2 | 154.7 | 0 | 0 | 0 | 108.9 | ||||
| 138 | L | 42.7 | Very low | 38.7 | Very low | 176 Ų | 176 | 133.9 Ų | 133.9 | 92% | 0.921 | 82% | 0.822 | S | S | * | * | 57.1 | 121.7 | 96.6 | -127.8 | 74.2 | 0 | 0 | 0 | 112.6 | |||||
| 139 | G | 38.1 | Very low | 38.6 | Very low | 69 Ų | 69 | 133.2 Ų | 133.2 | 71% | 0.711 | 82% | 0.818 | S | S | * | * | cis | 179.9 | -145.9 | 11.4 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 140 | P | 43.1 | Very low | 39 | Very low | 133 Ų | 133 | 134.8 Ų | 134.8 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | -125.8 | 157.2 | -70.4 | 37.1 | -25 | 0 | 0 | 0 | 112.5 | |||||
| 141 | A | 39.5 | Very low | 39.2 | Very low | 103 Ų | 103 | 136.5 Ų | 136.5 | 85% | 0.851 | 82% | 0.816 | S | S | * | * | trans | -142.1 | 120.2 | 160.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 142 | N | 39.1 | Very low | 38.5 | Very low | 165 Ų | 165 | 133.8 Ų | 133.8 | 88% | 0.882 | 82% | 0.816 | S | S | * | * | trans | -56.5 | 132 | 178 | -73.2 | -25.4 | 0 | 0 | 0 | 113 | ||||
| 143 | A | 39.2 | Very low | 38.4 | Very low | 94 Ų | 94 | 127.7 Ų | 127.7 | 78% | 0.777 | 81% | 0.812 | S | S | * | * | trans | -164.7 | 93.8 | 141 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 144 | V | 36.2 | Very low | 38 | Very low | 134 Ų | 134 | 126 Ų | 126 | 81% | 0.812 | 81% | 0.806 | S | S | * | * | trans | 17.1 | 111.5 | 137.5 | -178.1 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 145 | A | 40 | Very low | 37.8 | Very low | 97 Ų | 97 | 129.1 Ų | 129.1 | 80% | 0.802 | 81% | 0.81 | S | S | * | * | trans | -171.1 | 87.7 | 134.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 146 | R | 36.1 | Very low | 37.9 | Very low | 215 Ų | 215 | 128 Ų | 128 | 81% | 0.811 | 80% | 0.803 | S | S | * | * | trans | 0.7 | 129.2 | 141.8 | -101.7 | -172.6 | -78.3 | 167.8 | -4.2 | 119.7 | ||||
| 147 | I | 35.5 | Very low | 38.1 | Very low | 144 Ų | 144 | 129.1 Ų | 129.1 | 74% | 0.738 | 81% | 0.807 | S | S | * | * | trans | 58.5 | 139.2 | 139.7 | 29.1 | 175.3 | 0 | 0 | 0 | 118.9 | ||||
| 148 | T | 39.5 | Very low | 37.9 | Very low | 117 Ų | 117 | 127.6 Ų | 127.6 | 72% | 0.718 | 81% | 0.805 | S | S | * | * | cis | -163.9 | 140.8 | 16.2 | 18.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 149 | S | 33.3 | Very low | 37.8 | Very low | 103 Ų | 103 | 124.9 Ų | 124.9 | 72% | 0.72 | 80% | 0.798 | S | S | * | * | trans | 44.6 | 121.6 | 142.3 | 66.7 | 0 | 0 | 0 | 0 | 123 | ||||
| 150 | S | 44 | Very low | 37.8 | Very low | 111 Ų | 111 | 132.2 Ų | 132.2 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | 112.9 | 104.3 | 124.7 | 76.7 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 151 | K | 37.9 | Very low | 37.7 | Very low | 211 Ų | 211 | 131.6 Ų | 131.6 | 92% | 0.917 | 80% | 0.802 | S | S | * | * | trans | 49.1 | 106 | 133.3 | -81.2 | 176 | 171.6 | 174.7 | 0 | 118.5 | ||||
| 152 | G | 30.4 | Very low | 37.7 | Very low | 84 Ų | 84 | 134.3 Ų | 134.3 | 87% | 0.866 | 80% | 0.802 | S | S | * | * | 100.7 | 135.7 | 120 | 0 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 153 | G | 32.1 | Very low | 37.6 | Very low | 79 Ų | 79 | 131.6 Ų | 131.6 | 81% | 0.814 | 79% | 0.794 | S | S | * | * | trans | 119.8 | 113.7 | 161.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 154 | A | 30.2 | Very low | 37.4 | Very low | 93 Ų | 93 | 132.4 Ų | 132.4 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | trans | -51.1 | 170.4 | 162.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 155 | L | 34.1 | Very low | 37.6 | Very low | 155 Ų | 155 | 134.9 Ų | 134.9 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | trans | 138.3 | 103 | 150.9 | -69.8 | 166.8 | 0 | 0 | 0 | 109.1 | ||||
| 156 | L | 40.6 | Very low | 37.4 | Very low | 143 Ų | 143 | 135.2 Ų | 135.2 | 75% | 0.749 | 80% | 0.799 | S | S | * | * | 56.8 | 113.3 | 97.9 | -85.4 | 162.1 | 0 | 0 | 0 | 113.3 | T158 | L156-T158 PolarHBondContact O-N 3.32Š| |||
| 157 | P | 43.2 | Very low | 37.5 | Very low | 122 Ų | 122 | 129.6 Ų | 129.6 | 79% | 0.792 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -67 | 122.3 | 170.9 | -14.5 | 29 | 0 | 0 | 0 | 110.5 | ||
| 158 | T | 40.4 | Very low | 37.7 | Very low | 131 Ų | 131 | 130.7 Ų | 130.7 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 132.5 | 174.2 | 38.6 | 0 | 0 | 0 | 0 | 111.4 | L156 | L156-T158 PolarHBondContact O-N 3.32Š|
| 159 | P | 40.7 | Very low | 37.7 | Very low | 119 Ų | 119 | 134.8 Ų | 134.8 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 136.9 | 163 | -6.4 | 24 | 0 | 0 | 0 | 110.2 | ||
| 160 | Y | 38.1 | Very low | 37.9 | Very low | 224 Ų | 224 | 135.1 Ų | 135.1 | 88% | 0.878 | 81% | 0.81 | S | S | * | * | trans | -35.7 | 132.3 | 170.6 | -72.6 | -94.3 | 0 | 0 | 0 | 114.3 | ||||
| 161 | P | 42.4 | Very low | 37.5 | Very low | 120 Ų | 120 | 135.9 Ų | 135.9 | 78% | 0.779 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 121.7 | 173.3 | 32.1 | -27.7 | 0 | 0 | 0 | 110.5 | ||
| 162 | N | 39.4 | Very low | 37.4 | Very low | 159 Ų | 159 | 131.1 Ų | 131.1 | 85% | 0.85 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 131.4 | 157.1 | -74.2 | -32.6 | 0 | 0 | 0 | 108.5 | ||
| 163 | P | 36.6 | Very low | 37.9 | Very low | 109 Ų | 109 | 134.5 Ų | 134.5 | 71% | 0.708 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 154 | 163.1 | 34 | -29.5 | 0 | 0 | 0 | 108.7 | ||
| 164 | S | 34.3 | Very low | 38.3 | Very low | 111 Ų | 111 | 137.4 Ų | 137.4 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | trans | 103.4 | 85.7 | 172.1 | -40.9 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 165 | Q | 40.2 | Very low | 38.7 | Very low | 185 Ų | 185 | 144.7 Ų | 144.7 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | trans | -173.4 | 84.2 | 130.3 | -102.2 | 174.1 | 89.2 | 0 | 0 | 109.3 | ||||
| 166 | A | 36.3 | Very low | 38.8 | Very low | 104 Ų | 104 | 140.4 Ų | 140.4 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | trans | -99.3 | 101.5 | 156.2 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 167 | S | 37.6 | Very low | 38.9 | Very low | 97 Ų | 97 | 142.1 Ų | 142.1 | 68% | 0.678 | 80% | 0.798 | S | S | * | * | trans | -109.4 | 87.9 | 172 | 60.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 168 | D | 40.1 | Very low | 38.7 | Very low | 167 Ų | 167 | 144 Ų | 144 | 89% | 0.893 | 80% | 0.801 | S | S | * | * | trans | -84.5 | 135.2 | 162.3 | -83 | -36.5 | 0 | 0 | 0 | 109.7 | ||||
| 169 | K | 40.7 | Very low | 38.8 | Very low | 204 Ų | 204 | 142.6 Ų | 142.6 | 89% | 0.887 | 79% | 0.794 | S | S | * | * | trans | -88.8 | 122.9 | -176.1 | -61.6 | 168.7 | 179 | 174.2 | 0 | 109.4 | ||||
| 170 | S | 36.3 | Very low | 38.5 | Very low | 109 Ų | 109 | 142.9 Ų | 142.9 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | trans | 174.7 | 95.2 | 147.9 | -173.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 171 | V | 36.8 | Very low | 38.4 | Very low | 128 Ų | 128 | 135.2 Ų | 135.2 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | 67.3 | 108.7 | 92.6 | 175.9 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 172 | T | 35.4 | Very low | 38.1 | Very low | 110 Ų | 110 | 137.2 Ų | 137.2 | 68% | 0.675 | 79% | 0.79 | S | S | * | * | trans | 132.7 | 95.7 | 140.8 | -54.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 173 | H | 40.5 | Very low | 37.8 | Very low | 155 Ų | 155 | 137.4 Ų | 137.4 | 72% | 0.718 | 79% | 0.786 | S | S | * | * | trans | 46.6 | 109.3 | 132.3 | -54.9 | -74.4 | 0 | 0 | 0 | 121.1 | ||||
| 174 | N | 41.1 | Very low | 37.7 | Very low | 140 Ų | 140 | 137.2 Ų | 137.2 | 75% | 0.749 | 79% | 0.787 | S | S | * | * | 162 | 133.9 | 92.5 | -87.4 | -38.6 | 0 | 0 | 0 | 113.2 | |||||
| 175 | R | 38.6 | Very low | 38 | Very low | 246 Ų | 246 | 139.8 Ų | 139.8 | 93% | 0.928 | 79% | 0.787 | S | S | * | * | trans | 8.6 | 137 | 146.7 | -69 | 170.8 | 168.3 | 162.2 | -4 | 117.2 | ||||
| 176 | G | 35.5 | Very low | 37.8 | Very low | 66 Ų | 66 | 136 Ų | 136 | 68% | 0.68 | 78% | 0.78 | S | S | * | * | cis | 156.9 | 163.4 | 12.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 177 | L | 42.2 | Very low | 38.1 | Very low | 179 Ų | 179 | 137.6 Ų | 137.6 | 94% | 0.937 | 78% | 0.78 | S | S | * | * | trans | 76.6 | 107.4 | 153.7 | -59.8 | 161.9 | 0 | 0 | 0 | 120 | ||||
| 178 | L | 39.1 | Very low | 38 | Very low | 162 Ų | 162 | 142.7 Ų | 142.7 | 85% | 0.848 | 79% | 0.79 | S | S | * | * | trans | -42.5 | -179.5 | 149.2 | -76.6 | 141.5 | 0 | 0 | 0 | 115.4 | ||||
| 179 | P | 42.1 | Very low | 38.2 | Very low | 101 Ų | 101 | 140.1 Ų | 140.1 | 66% | 0.656 | 79% | 0.785 | S | S | * | * | cis | -142.4 | -178.8 | -34.9 | 37.2 | -18.4 | 0 | 0 | 0 | 115.2 | ||||
| 180 | S | 35.8 | Very low | 38.2 | Very low | 124 Ų | 124 | 135.7 Ų | 135.7 | 87% | 0.867 | 78% | 0.78 | S | S | * | * | trans | 75.9 | 122.3 | 147.2 | -68.6 | 0 | 0 | 0 | 0 | 121 | ||||
| 181 | G | 35.1 | Very low | 39 | Very low | 64 Ų | 64 | 136.7 Ų | 136.7 | 66% | 0.66 | 78% | 0.781 | S | S | * | * | trans | 127.6 | 106.7 | 132.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 182 | I | 35.9 | Very low | 39.4 | Very low | 161 Ų | 161 | 136.9 Ų | 136.9 | 83% | 0.826 | 78% | 0.778 | S | S | * | * | trans | 61.5 | 111 | 132.3 | -50.9 | 161.5 | 0 | 0 | 0 | 117 | ||||
| 183 | H | 34 | Very low | 39.9 | Very low | 164 Ų | 164 | 138.6 Ų | 138.6 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | 177.6 | 135.5 | 107 | -138.1 | 59.4 | 0 | 0 | 0 | 111.7 | |||||
| 184 | S | 34.3 | Very low | 40 | Very low | 104 Ų | 104 | 134.7 Ų | 134.7 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | -70.3 | 145.6 | 167.3 | -57.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 185 | Q | 39.9 | Very low | 40.2 | Very low | 166 Ų | 166 | 134.3 Ų | 134.3 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | 172.3 | 105.4 | 142.6 | -93.5 | 163.6 | 102.4 | 0 | 0 | 107.5 | ||||
| 186 | S | 37.3 | Very low | 40 | Very low | 104 Ų | 104 | 128 Ų | 128 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | 55.8 | 111.7 | 100.5 | -169.3 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 187 | T | 41.3 | Very low | 40.7 | Very low | 138 Ų | 138 | 132.4 Ų | 132.4 | 85% | 0.847 | 79% | 0.788 | S | S | * | * | 179.5 | 136.4 | 108.7 | 41.6 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 188 | K | 36.7 | Very low | 41.1 | Very low | 205 Ų | 205 | 132.4 Ų | 132.4 | 89% | 0.891 | 78% | 0.781 | S | S | * | * | trans | -44 | 148.6 | 173.3 | -67.4 | 162.2 | 170.4 | 176.1 | 0 | 118.5 | ||||
| 189 | S | 44 | Very low | 41.8 | Very low | 113 Ų | 113 | 132.2 Ų | 132.2 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | -171.1 | 101.9 | 126.5 | 56.1 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 190 | S | 40.2 | Very low | 42.8 | Very low | 111 Ų | 111 | 132.9 Ų | 132.9 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | 61.5 | 110.8 | 80.7 | -167.3 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 191 | V | 52.4 | Low | 44 | Very low | 129 Ų | 129 | 130.8 Ų | 130.8 | 78% | 0.782 | 77% | 0.766 | S | S | * | * | 156.3 | 107.3 | 125.7 | 169.9 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 192 | D | 46.2 | Very low | 45.6 | Very low | 133 Ų | 133 | 133.9 Ų | 133.9 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | trans | 77.5 | 131 | 139.1 | -105.7 | 9.8 | 0 | 0 | 0 | 125.7 | ||||
| 193 | N | 45.7 | Very low | 47.5 | Very low | 145 Ų | 145 | 134 Ų | 134 | 78% | 0.775 | 76% | 0.759 | S | S | * | * | trans | 87.9 | 108.5 | 144.5 | -58.6 | -40.1 | 0 | 0 | 0 | 120.7 | ||||
| 194 | G | 43.3 | Very low | 49.5 | Very low | 74 Ų | 74 | 129.7 Ų | 129.7 | 76% | 0.763 | 75% | 0.752 | S | S | * | * | trans | 141.3 | 103.3 | 153.6 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 195 | P | 44.2 | Very low | 51.7 | Low | 132 Ų | 132 | 131.5 Ų | 131.5 | 86% | 0.857 | 75% | 0.753 | S | S | * | * | trans | -83.3 | 153.8 | -172.8 | 3.3 | 13.9 | 0 | 0 | 0 | 113.6 | ||||
| 196 | C | 35.5 | Very low | 53.8 | Low | 113 Ų | 113 | 127.3 Ų | 127.3 | 76% | 0.764 | 74% | 0.739 | S | S | * | * | trans | 100 | 72.5 | 167.6 | -158.8 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 197 | I | 49.8 | Very low | 56.2 | Low | 158 Ų | 158 | 130.7 Ų | 130.7 | 81% | 0.81 | 75% | 0.748 | S | S | * | * | trans | -120.7 | 110.7 | 148 | -60.8 | -175.2 | 0 | 0 | 0 | 105.4 | D199 | I197-D199 PolarHBondContact O-N 3.38Š| ||
| 198 | K | 51.2 | Low | 58.4 | Low | 180 Ų | 180 | 128.1 Ų | 128.1 | 78% | 0.783 | 73% | 0.728 | S | S | * | * | trans | -52.5 | 115 | 176.3 | -65.3 | 172.5 | 179.6 | 177.6 | 0 | 108 | V200 | K198-V200 PolarHBondContact O-N 2.95Š| ||
| 199 | D | 53.4 | Low | 61.1 | Low | 158 Ų | 158 | 122.9 Ų | 122.9 | 85% | 0.845 | 71% | 0.71 | S | S | * | * | trans | -54.5 | 101.3 | 176.2 | -60.6 | -56.1 | 0 | 0 | 0 | 108.9 | I197 P201 | I197-D199 PolarHBondContact O-N 3.38Å; D199-P201 VanDerWaalsContact O-CD 3.24Å; D199-P201 WeakPolarHBondContact O-CD 3.4Å | ||
| 200 | V | 62.6 | Low | 63.5 | Low | 114 Ų | 114 | 122.2 Ų | 122.2 | 69% | 0.691 | 71% | 0.705 | S | S | * | * | trans | -68.2 | 112.9 | 162.9 | 177.3 | 0 | 0 | 0 | 0 | 104.2 | K198 N202 Y203 | K198-V200 PolarHBondContact O-N 2.95Å; V200-N202 PolarHBondContact O-N 2.96Å; V200-Y203 HydrophobicContact CG1-CE2 4.18Å | ||
| 201 | P | 60.9 | Low | 66.2 | Low | 81 Ų | 81 | 120.8 Ų | 120.8 | 53% | 0.526 | 70% | 0.695 | S | S | . | * | trans | -57.3 | 122.2 | 176.9 | 23.4 | -31 | 0 | 0 | 0 | 107 | D199 Y203 | D199-P201 VanDerWaalsContact O-CD 3.24Å; D199-P201 WeakPolarHBondContact O-CD 3.4Å; P201-Y203 VanDerWaalsContact C-N 3.34Å; P201-Y203 HydrophobicContact CG-CE1 4.12Å; P201-Y203 HydrophobicContact CG-CE2 4.48Å; P201-Y203 VanDerWaalsContact O-CD2 3.27Å; P201-Y203 WeakPolarHBondContact O-CD2 3.27Å; P201-Y203 PolarHBondContact O-N 3.28Å | ||
| 202 | N | 68.4 | Low | 68.3 | Low | 129 Ų | 129 | 118.2 Ų | 118.2 | 69% | 0.69 | 68% | 0.679 | S | S | * | * | trans | -61.6 | 99.4 | 177.2 | -172.7 | 5.4 | 0 | 0 | 0 | 107.4 | V200 A204 | V200-N202 PolarHBondContact O-N 2.96Å; N202-A204 PolarHBondContact O-N 3.31Å; N202-A204 WeakPolarHBondContact OD1-CB 3.47Å | ||
| 203 | Y | 75.8 | Confident | 70.6 | Confident | 163 Ų | 163 | 115.6 Ų | 115.6 | 64% | 0.639 | 67% | 0.665 | S | S | * | * | G | 310 helix | trans | -66.8 | 1.9 | -175.3 | -64 | -77.7 | 0 | 0 | 0 | 113.3 | V200 P201 D205 V206 | V200-Y203 HydrophobicContact CG1-CE2 4.18Å; P201-Y203 VanDerWaalsContact C-N 3.34Å; P201-Y203 HydrophobicContact CG-CE1 4.12Å; P201-Y203 HydrophobicContact CG-CE2 4.48Å; P201-Y203 VanDerWaalsContact O-CD2 3.27Å; P201-Y203 WeakPolarHBondContact O-CD2 3.27Å; P201-Y203 PolarHBondContact O-N 3.28Å; Y203-D205 PolarHBondContact O-N 3.45Å; Y203-V206 HydrophobicContact CD1-CG2 3.77Å; Y203-V206 HydrophobicContact CG-CG2 4.38Å; Y203-V206 WeakPolarHBondContact O-CG2 3.43Å; Y203-V206 PolarHBondContact O-N 2.84Å |
| 204 | A | 77.2 | Confident | 73 | Confident | 74 Ų | 74 | 112.7 Ų | 112.7 | 61% | 0.612 | 65% | 0.649 | S | S | * | * | G | 310 helix | trans | -57.6 | -33.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | N202 | N202-A204 PolarHBondContact O-N 3.31Å; N202-A204 WeakPolarHBondContact OD1-CB 3.47Å |
| 205 | D | 79.5 | Confident | 75.5 | Confident | 141 Ų | 141 | 113.7 Ų | 113.7 | 75% | 0.754 | 64% | 0.64 | S | S | * | * | G | 310 helix | trans | -107.7 | 19.6 | -174.8 | -59.7 | -30.1 | 0 | 0 | 0 | 113.1 | Y203 L207 | Y203-D205 PolarHBondContact O-N 3.45Å; D205-L207 PolarHBondContact O-N 3.01Å; D205-L207 VanDerWaalsContact O-N 3.13Å |
| 206 | V | 85.1 | Confident | 77.9 | Confident | 79 Ų | 79 | 110.4 Ų | 110.4 | 48% | 0.479 | 62% | 0.615 | S | S | . | * | trans | -64.9 | 117.7 | 174.1 | 176.6 | 0 | 0 | 0 | 0 | 108.9 | Y203 I208 | Y203-V206 HydrophobicContact CD1-CG2 3.77Å; Y203-V206 HydrophobicContact CG-CG2 4.38Å; Y203-V206 WeakPolarHBondContact O-CG2 3.43Å; Y203-V206 PolarHBondContact O-N 2.84Å; V206-I208 HydrophobicContact CG1-CG1 4.32Å; V206-I208 PolarHBondContact O-N 3.35Å; V206-I208 VanDerWaalsContact O-N 3.1Å | ||
| 207 | L | 86 | Confident | 80.7 | Confident | 175 Ų | 175 | 106.5 Ų | 106.5 | 92% | 0.916 | 59% | 0.589 | S | S | * | * | trans | -65.1 | 108.7 | 170.1 | -70 | 159.9 | 0 | 0 | 0 | 108.6 | D205 | D205-L207 PolarHBondContact O-N 3.01Å; D205-L207 VanDerWaalsContact O-N 3.13Å | ||
| 208 | I | 88.8 | Confident | 82.9 | Confident | 83 Ų | 83 | 106.3 Ų | 106.3 | 43% | 0.426 | 58% | 0.578 | S | S | . | * | trans | -97.6 | 137.4 | 175.4 | -58.7 | 171.8 | 0 | 0 | 0 | 108.1 | V206 V212 N213 L216 | V206-I208 HydrophobicContact CG1-CG1 4.32Å; V206-I208 PolarHBondContact O-N 3.35Å; V206-I208 VanDerWaalsContact O-N 3.1Å; I208-V212 HydrophobicContact CG2-CB 3.68Å; I208-V212 HydrophobicContact CG2-CG1 3.55Å; I208-N213 HydrophobicContact CG2-CB 4.15Å; I208-L216 HydrophobicContact CD1-CD1 3.97Å; I208-L216 HydrophobicContact CG2-CD1 4.19Å | ||
| 209 | D | 93.1 | Very high | 85.1 | Confident | 96 Ų | 96 | 102.8 Ų | 102.8 | 51% | 0.513 | 57% | 0.567 | S | S | . | * | trans | -55.6 | 147.6 | 173.4 | 176.8 | 64.4 | 0 | 0 | 0 | 112.1 | S211 V212 N213 | D209-S211 VanDerWaalsContact C-N 3.26Å; D209-S211 PolarHBondContact O-N 2.93Å; D209-S211 WeakPolarHBondContact OD2-CA 3.38Å; D209-S211 WeakPolarHBondContact OD2-CB 3.47Å; D209-S211 PolarHBondContact OD2-N 3.41Å; D209-S211 PolarHBondContact OD2-OG 3.39Å; D209-V212 HydrophobicContact CB-CB 4.37Å; D209-V212 HydrophobicContact CB-CG2 4.13Å; D209-V212 PolarHBondContact O-N 2.87Å; D209-N213 WeakPolarHBondContact O-CB 3.33Å; D209-N213 PolarHBondContact O-N 3.48Å | ||
| 210 | S | 94.8 | Very high | 87.2 | Confident | 99 Ų | 99 | 103.9 Ų | 103.9 | 69% | 0.692 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -57.7 | -38.2 | -177.5 | -62.3 | 0 | 0 | 0 | 0 | 112.8 | L214 | S210-L214 PolarHBondContact O-N 3.49Å |
| 211 | S | 96.6 | Very high | 88.8 | Confident | 80 Ų | 80 | 105.8 Ų | 105.8 | 56% | 0.559 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -71 | -43.6 | -179.9 | -42.4 | 0 | 0 | 0 | 0 | 111.1 | D209 L214 V215 | D209-S211 VanDerWaalsContact C-N 3.26Å; D209-S211 PolarHBondContact O-N 2.93Å; D209-S211 WeakPolarHBondContact OD2-CA 3.38Å; D209-S211 WeakPolarHBondContact OD2-CB 3.47Å; D209-S211 PolarHBondContact OD2-N 3.41Å; D209-S211 PolarHBondContact OD2-OG 3.39Å; S211-L214 WeakPolarHBondContact O-CB 3.42Å; S211-L214 PolarHBondContact O-N 3.18Å; S211-V215 WeakPolarHBondContact O-CG2 3.36Å; S211-V215 PolarHBondContact O-N 3.41Å; S211-V215 VanDerWaalsContact O-N 3.08Å |
| 212 | V | 96.4 | Very high | 90.5 | Very high | 75 Ų | 75 | 104.8 Ų | 104.8 | 46% | 0.455 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.6 | -43.1 | 176.2 | 178.5 | 0 | 0 | 0 | 0 | 110.1 | I208 D209 L214 V215 L216 | I208-V212 HydrophobicContact CG2-CB 3.68Å; I208-V212 HydrophobicContact CG2-CG1 3.55Å; D209-V212 HydrophobicContact CB-CB 4.37Å; D209-V212 HydrophobicContact CB-CG2 4.13Å; D209-V212 PolarHBondContact O-N 2.87Å; V212-L214 VanDerWaalsContact C-N 3.3Å; V212-L214 PolarHBondContact O-N 2.94Å; V212-V215 PolarHBondContact O-N 3.46Å; V212-L216 HydrophobicContact CG1-CD1 3.87Å; V212-L216 HydrophobicContact CG1-CG 4.18Å; V212-L216 WeakPolarHBondContact O-CB 3.37Å; V212-L216 WeakPolarHBondContact O-CG 3.47Å; V212-L216 PolarHBondContact O-N 2.93Å |
| 213 | N | 93.6 | Very high | 91.8 | Very high | 78 Ų | 78 | 103.9 Ų | 103.9 | 42% | 0.417 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.3 | -37.5 | 176.3 | -174.9 | 40 | 0 | 0 | 0 | 111.9 | I208 D209 S217 | I208-N213 HydrophobicContact CG2-CB 4.15Å; D209-N213 WeakPolarHBondContact O-CB 3.33Å; D209-N213 PolarHBondContact O-N 3.48Å; N213-S217 WeakPolarHBondContact O-CB 2.91Å; N213-S217 PolarHBondContact O-N 3.05Å; N213-S217 PolarHBondContact O-OG 2.96Å |
| 214 | L | 96.1 | Very high | 92.8 | Very high | 85 Ų | 85 | 99.2 Ų | 99.2 | 45% | 0.445 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.5 | -46 | 173.2 | -178.9 | 66.5 | 0 | 0 | 0 | 111.5 | S210 S211 V212 S217 R218 | S210-L214 PolarHBondContact O-N 3.49Å; S211-L214 WeakPolarHBondContact O-CB 3.42Å; S211-L214 PolarHBondContact O-N 3.18Å; V212-L214 VanDerWaalsContact C-N 3.3Å; V212-L214 PolarHBondContact O-N 2.94Å; L214-S217 PolarHBondContact O-N 2.95Å; L214-R218 WeakPolarHBondContact O-CB 3.37Å; L214-R218 WeakPolarHBondContact O-CG 3.45Å; L214-R218 PolarHBondContact O-N 3.24Å |
| 215 | V | 96.6 | Very high | 93.6 | Very high | 94 Ų | 94 | 100.7 Ų | 100.7 | 57% | 0.57 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.7 | -48 | 177.1 | 174.8 | 0 | 0 | 0 | 0 | 111 | S211 V212 S217 R218 L219 | S211-V215 WeakPolarHBondContact O-CG2 3.36Å; S211-V215 PolarHBondContact O-N 3.41Å; S211-V215 VanDerWaalsContact O-N 3.08Å; V212-V215 PolarHBondContact O-N 3.46Å; V215-S217 VanDerWaalsContact C-N 3.35Å; V215-S217 PolarHBondContact O-N 3.27Å; V215-R218 PolarHBondContact O-N 3.43Å; V215-L219 WeakPolarHBondContact O-CB 3.42Å; V215-L219 PolarHBondContact O-N 3.13Å |
| 216 | L | 95 | Very high | 94.4 | Very high | 64 Ų | 64 | 100.4 Ų | 100.4 | 34% | 0.335 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62 | -41.4 | 177.8 | -70.8 | 174.8 | 0 | 0 | 0 | 111.8 | I208 V212 L219 R220 | I208-L216 HydrophobicContact CD1-CD1 3.97Å; I208-L216 HydrophobicContact CG2-CD1 4.19Å; V212-L216 HydrophobicContact CG1-CD1 3.87Å; V212-L216 HydrophobicContact CG1-CG 4.18Å; V212-L216 WeakPolarHBondContact O-CB 3.37Å; V212-L216 WeakPolarHBondContact O-CG 3.47Å; V212-L216 PolarHBondContact O-N 2.93Å; L216-L219 PolarHBondContact O-N 3.32Å; L216-R220 WeakPolarHBondContact O-CB 3.39Å; L216-R220 WeakPolarHBondContact O-CG 3.34Å; L216-R220 PolarHBondContact O-N 2.83Å |
| 217 | S | 94 | Very high | 95 | Very high | 31 Ų | 31 | 100.9 Ų | 100.9 | 22% | 0.217 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -66.1 | -39.9 | 176.4 | -67.1 | 0 | 0 | 0 | 0 | 111.8 | N213 L214 V215 R221 | N213-S217 WeakPolarHBondContact O-CB 2.91Å; N213-S217 PolarHBondContact O-N 3.05Å; N213-S217 PolarHBondContact O-OG 2.96Å; L214-S217 PolarHBondContact O-N 2.95Å; V215-S217 VanDerWaalsContact C-N 3.35Å; V215-S217 PolarHBondContact O-N 3.27Å; S217-R221 WeakPolarHBondContact O-CG 3.49Å; S217-R221 PolarHBondContact O-N 3.03Å |
| 218 | R | 96.8 | Very high | 95.4 | Very high | 153 Ų | 153 | 97.3 Ų | 97.3 | 58% | 0.577 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.6 | -45.5 | 172.4 | -77.4 | 177.5 | 176.9 | 174.8 | 0.4 | 110.9 | L214 V215 R220 R221 T222 | L214-R218 WeakPolarHBondContact O-CB 3.37Å; L214-R218 WeakPolarHBondContact O-CG 3.45Å; L214-R218 PolarHBondContact O-N 3.24Å; V215-R218 PolarHBondContact O-N 3.43Å; R218-R220 PolarHBondContact O-N 2.99Å; R218-R221 PolarHBondContact O-N 3.5Å; R218-T222 WeakPolarHBondContact O-CG2 3.35Å; R218-T222 PolarHBondContact O-N 2.82Å; R218-T222 PolarHBondContact O-OG1 3.4Å |
| 219 | L | 97 | Very high | 95.7 | Very high | 106 Ų | 106 | 97.8 Ų | 97.8 | 56% | 0.555 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.3 | -44.6 | 178.2 | -175 | 62.5 | 0 | 0 | 0 | 111.8 | V215 L216 T222 Q223 | V215-L219 WeakPolarHBondContact O-CB 3.42Å; V215-L219 PolarHBondContact O-N 3.13Å; L216-L219 PolarHBondContact O-N 3.32Å; L219-T222 VanDerWaalsContact CA-OG1 3.26Å; L219-T222 WeakPolarHBondContact CA-OG1 3.46Å; L219-T222 PolarHBondContact O-N 3.07Å; L219-T222 PolarHBondContact O-OG1 3.15Å; L219-Q223 WeakPolarHBondContact O-CB 3.43Å; L219-Q223 PolarHBondContact O-N 3.27Å |
| 220 | R | 96.6 | Very high | 95.7 | Very high | 182 Ų | 182 | 96.8 Ų | 96.8 | 69% | 0.687 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.8 | -43.9 | 174.4 | -77.4 | -179.7 | 178.7 | 178.6 | 0.9 | 112.1 | L216 R218 Q223 C224 | L216-R220 WeakPolarHBondContact O-CB 3.39Å; L216-R220 WeakPolarHBondContact O-CG 3.34Å; L216-R220 PolarHBondContact O-N 2.83Å; R218-R220 PolarHBondContact O-N 2.99Å; R220-Q223 PolarHBondContact O-N 3.24Å; R220-C224 WeakPolarHBondContact O-CB 3.34Å; R220-C224 PolarHBondContact O-N 2.95Å |
| 221 | R | 96.5 | Very high | 95.6 | Very high | 153 Ų | 153 | 94.7 Ų | 94.7 | 58% | 0.577 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -61.9 | -45.3 | 174.2 | -73.8 | -173.8 | -161.2 | 101.9 | -3.9 | 111.4 | S217 R218 Q223 C224 N225 | S217-R221 WeakPolarHBondContact O-CG 3.49Å; S217-R221 PolarHBondContact O-N 3.03Å; R218-R221 PolarHBondContact O-N 3.5Å; R221-Q223 VanDerWaalsContact C-N 3.35Å; R221-Q223 PolarHBondContact O-N 3.38Å; R221-C224 PolarHBondContact O-N 3.38Å; R221-N225 WeakPolarHBondContact O-CB 3.47Å; R221-N225 PolarHBondContact O-N 3.47Å; R221-N225 PolarHBondContact O-ND2 3.36Å; R221-N225 PolarHBondContact O-OD1 2.98Å |
| 222 | T | 95.9 | Very high | 95.3 | Very high | 61 Ų | 61 | 93.6 Ų | 93.6 | 37% | 0.374 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.2 | -39.9 | 177.3 | 50.2 | 0 | 0 | 0 | 0 | 111.9 | R218 L219 N225 F226 | R218-T222 WeakPolarHBondContact O-CG2 3.35Å; R218-T222 PolarHBondContact O-N 2.82Å; R218-T222 PolarHBondContact O-OG1 3.4Å; L219-T222 VanDerWaalsContact CA-OG1 3.26Å; L219-T222 WeakPolarHBondContact CA-OG1 3.46Å; L219-T222 PolarHBondContact O-N 3.07Å; L219-T222 PolarHBondContact O-OG1 3.15Å; T222-N225 PolarHBondContact O-N 3.27Å; T222-F226 WeakPolarHBondContact O-CD2 3.48Å; T222-F226 PolarHBondContact O-N 2.85Å |
| 223 | Q | 96.8 | Very high | 94.9 | Very high | 110 Ų | 110 | 93.7 Ų | 93.7 | 51% | 0.514 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.2 | -50.2 | 175.9 | -177.7 | -177 | -12.3 | 0 | 0 | 110.8 | L219 R220 R221 N225 F226 D227 | L219-Q223 WeakPolarHBondContact O-CB 3.43Å; L219-Q223 PolarHBondContact O-N 3.27Å; R220-Q223 PolarHBondContact O-N 3.24Å; R221-Q223 VanDerWaalsContact C-N 3.35Å; R221-Q223 PolarHBondContact O-N 3.38Å; Q223-N225 VanDerWaalsContact C-N 3.28Å; Q223-N225 PolarHBondContact O-N 3.29Å; Q223-F226 CarbonylContact O-C 3.56Å; Q223-F226 WeakPolarHBondContact O-CA 3.46Å; Q223-F226 WeakPolarHBondContact O-CB 3.48Å; Q223-F226 PolarHBondContact O-N 3.03Å; Q223-D227 VanDerWaalsContact O-CG 3.29Å; Q223-D227 PolarHBondContact O-N 3.24Å |
| 224 | C | 96 | Very high | 94.6 | Very high | 65 Ų | 65 | 95.6 Ų | 95.6 | 44% | 0.439 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.7 | -39.3 | 176.2 | -177.9 | 0 | 0 | 0 | 0 | 111.9 | R220 R221 D227 N228 | R220-C224 WeakPolarHBondContact O-CB 3.34Å; R220-C224 PolarHBondContact O-N 2.95Å; R221-C224 PolarHBondContact O-N 3.38Å; C224-D227 PolarHBondContact O-N 2.91Å; C224-N228 WeakPolarHBondContact O-CB 3.44Å; C224-N228 PolarHBondContact O-N 3.31Å; C224-N228 PolarHBondContact O-ND2 3.47Å |
| 225 | N | 95.6 | Very high | 94.1 | Very high | 105 Ų | 105 | 95.6 Ų | 95.6 | 56% | 0.561 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.2 | -41.9 | 173.3 | -71.5 | -11.6 | 0 | 0 | 0 | 112.1 | R221 T222 Q223 L229 | R221-N225 WeakPolarHBondContact O-CB 3.47Å; R221-N225 PolarHBondContact O-N 3.47Å; R221-N225 PolarHBondContact O-ND2 3.36Å; R221-N225 PolarHBondContact O-OD1 2.98Å; T222-N225 PolarHBondContact O-N 3.27Å; Q223-N225 VanDerWaalsContact C-N 3.28Å; Q223-N225 PolarHBondContact O-N 3.29Å; N225-L229 VanDerWaalsContact O-CB 3.3Å; N225-L229 WeakPolarHBondContact O-CB 3.39Å; N225-L229 PolarHBondContact O-N 3.12Å |
| 226 | F | 96 | Very high | 93.4 | Very high | 134 Ų | 134 | 95.6 Ų | 95.6 | 59% | 0.588 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -65.8 | -41.8 | 174.9 | -79.1 | -60.4 | 0 | 0 | 0 | 111.9 | T222 Q223 L229 V230 | T222-F226 WeakPolarHBondContact O-CD2 3.48Å; T222-F226 PolarHBondContact O-N 2.85Å; Q223-F226 CarbonylContact O-C 3.56Å; Q223-F226 WeakPolarHBondContact O-CA 3.46Å; Q223-F226 WeakPolarHBondContact O-CB 3.48Å; Q223-F226 PolarHBondContact O-N 3.03Å; F226-L229 CarbonylContact O-C 3.58Å; F226-L229 PolarHBondContact O-N 3.37Å; F226-V230 WeakPolarHBondContact O-CB 3.43Å; F226-V230 VanDerWaalsContact O-CG2 3.26Å; F226-V230 WeakPolarHBondContact O-CG2 3.29Å; F226-V230 PolarHBondContact O-N 2.98Å |
| 227 | D | 96 | Very high | 92.5 | Very high | 90 Ų | 90 | 98.3 Ų | 98.3 | 48% | 0.481 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.5 | -44.2 | 176.9 | -67.2 | -27 | 0 | 0 | 0 | 110.9 | Q223 C224 L229 V230 A231 | Q223-D227 VanDerWaalsContact O-CG 3.29Å; Q223-D227 PolarHBondContact O-N 3.24Å; C224-D227 PolarHBondContact O-N 2.91Å; D227-L229 VanDerWaalsContact C-N 3.35Å; D227-L229 PolarHBondContact O-N 2.95Å; D227-V230 PolarHBondContact O-N 3.2Å; D227-A231 WeakPolarHBondContact O-CB 3.43Å; D227-A231 PolarHBondContact O-N 3.36Å |
| 228 | N | 94.9 | Very high | 91.4 | Very high | 100 Ų | 100 | 102.9 Ų | 102.9 | 54% | 0.535 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.2 | -41.4 | 174 | -71.1 | -25.1 | 0 | 0 | 0 | 111.8 | C224 A231 A232 | C224-N228 WeakPolarHBondContact O-CB 3.44Å; C224-N228 PolarHBondContact O-N 3.31Å; C224-N228 PolarHBondContact O-ND2 3.47Å; N228-A231 PolarHBondContact O-N 3.09Å; N228-A232 WeakPolarHBondContact O-CB 3.33Å; N228-A232 PolarHBondContact O-N 3.12Å |
| 229 | L | 94.7 | Very high | 89.9 | Confident | 92 Ų | 92 | 99.8 Ų | 99.8 | 48% | 0.482 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.7 | -39 | 176.8 | -177.9 | 62.2 | 0 | 0 | 0 | 111.7 | N225 F226 D227 N233 | N225-L229 VanDerWaalsContact O-CB 3.3Å; N225-L229 WeakPolarHBondContact O-CB 3.39Å; N225-L229 PolarHBondContact O-N 3.12Å; F226-L229 CarbonylContact O-C 3.58Å; F226-L229 PolarHBondContact O-N 3.37Å; D227-L229 VanDerWaalsContact C-N 3.35Å; D227-L229 PolarHBondContact O-N 2.95Å; L229-N233 WeakPolarHBondContact CD1-ND2 3.04Å; L229-N233 WeakPolarHBondContact CG-ND2 3.49Å; L229-N233 VanDerWaalsContact O-CB 3.25Å; L229-N233 WeakPolarHBondContact O-CB 3.47Å; L229-N233 PolarHBondContact O-N 3.43Å; L229-N233 PolarHBondContact O-ND2 2.91Å |
| 230 | V | 93.7 | Very high | 88.2 | Confident | 75 Ų | 75 | 101.7 Ų | 101.7 | 46% | 0.455 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.3 | -45.1 | 173.9 | 168 | 0 | 0 | 0 | 0 | 109.9 | F226 D227 N233 Q234 | F226-V230 WeakPolarHBondContact O-CB 3.43Å; F226-V230 VanDerWaalsContact O-CG2 3.26Å; F226-V230 WeakPolarHBondContact O-CG2 3.29Å; F226-V230 PolarHBondContact O-N 2.98Å; D227-V230 PolarHBondContact O-N 3.2Å; V230-N233 PolarHBondContact O-N 3.45Å; V230-Q234 HydrophobicContact CG1-CG 4.29Å; V230-Q234 VanDerWaalsContact O-CB 3.31Å; V230-Q234 WeakPolarHBondContact O-CB 3.44Å; V230-Q234 VanDerWaalsContact O-CG 3.23Å; V230-Q234 WeakPolarHBondContact O-CG 3.43Å; V230-Q234 PolarHBondContact O-N 3.28Å |
| 231 | A | 92 | Very high | 86.3 | Confident | 55 Ų | 55 | 96.3 Ų | 96.3 | 46% | 0.455 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.8 | -43.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | D227 N228 Q234 S235 | D227-A231 WeakPolarHBondContact O-CB 3.43Å; D227-A231 PolarHBondContact O-N 3.36Å; N228-A231 PolarHBondContact O-N 3.09Å; A231-Q234 PolarHBondContact O-N 3.48Å; A231-S235 PolarHBondContact O-N 2.91Å |
| 232 | A | 90.3 | Very high | 84.4 | Confident | 58 Ų | 58 | 95.3 Ų | 95.3 | 48% | 0.479 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.3 | -48.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | N228 Q234 S235 E236 | N228-A232 WeakPolarHBondContact O-CB 3.33Å; N228-A232 PolarHBondContact O-N 3.12Å; A232-Q234 VanDerWaalsContact C-N 3.33Å; A232-Q234 PolarHBondContact O-N 3.45Å; A232-S235 WeakPolarHBondContact O-CB 3.39Å; A232-S235 PolarHBondContact O-N 3.25Å; A232-E236 WeakPolarHBondContact O-CB 3.37Å; A232-E236 PolarHBondContact O-N 3.41Å |
| 233 | N | 88.6 | Confident | 82.8 | Confident | 76 Ų | 76 | 97.7 Ų | 97.7 | 41% | 0.406 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.2 | -33.4 | 176.3 | -80 | -52.5 | 0 | 0 | 0 | 112.5 | L229 V230 E236 L237 | L229-N233 WeakPolarHBondContact CD1-ND2 3.04Å; L229-N233 WeakPolarHBondContact CG-ND2 3.49Å; L229-N233 VanDerWaalsContact O-CB 3.25Å; L229-N233 WeakPolarHBondContact O-CB 3.47Å; L229-N233 PolarHBondContact O-N 3.43Å; L229-N233 PolarHBondContact O-ND2 2.91Å; V230-N233 PolarHBondContact O-N 3.45Å; N233-E236 PolarHBondContact O-N 3.2Å; N233-L237 WeakPolarHBondContact O-CB 3.45Å; N233-L237 PolarHBondContact O-N 3.09Å |
| 234 | Q | 88.1 | Confident | 81.1 | Confident | 119 Ų | 119 | 99.4 Ų | 99.4 | 56% | 0.556 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.9 | -43.2 | 173.5 | -79.9 | 179.7 | 7.3 | 0 | 0 | 110.7 | V230 A231 A232 E236 L237 Q238 | V230-Q234 HydrophobicContact CG1-CG 4.29Å; V230-Q234 VanDerWaalsContact O-CB 3.31Å; V230-Q234 WeakPolarHBondContact O-CB 3.44Å; V230-Q234 VanDerWaalsContact O-CG 3.23Å; V230-Q234 WeakPolarHBondContact O-CG 3.43Å; V230-Q234 PolarHBondContact O-N 3.28Å; A231-Q234 PolarHBondContact O-N 3.48Å; A232-Q234 VanDerWaalsContact C-N 3.33Å; A232-Q234 PolarHBondContact O-N 3.45Å; Q234-E236 VanDerWaalsContact C-N 3.34Å; Q234-L237 PolarHBondContact O-N 2.96Å; Q234-Q238 WeakPolarHBondContact O-CG 3.38Å; Q234-Q238 PolarHBondContact O-N 3.02Å |
| 235 | S | 84.9 | Confident | 79.3 | Confident | 84 Ų | 84 | 103.5 Ų | 103.5 | 59% | 0.587 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -60.9 | -43.9 | 173.2 | -177.4 | 0 | 0 | 0 | 0 | 111.4 | A231 A232 Q238 S239 | A231-S235 PolarHBondContact O-N 2.91Å; A232-S235 WeakPolarHBondContact O-CB 3.39Å; A232-S235 PolarHBondContact O-N 3.25Å; S235-Q238 PolarHBondContact O-N 3.44Å; S235-S239 PolarHBondContact O-N 3.4Å |
| 236 | E | 82.3 | Confident | 78.5 | Confident | 95 Ų | 95 | 100.6 Ų | 100.6 | 44% | 0.444 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.3 | -42.4 | 176 | -158.9 | -177.4 | -179.4 | 0 | 0 | 111.4 | A232 N233 Q234 Q238 S239 F240 | A232-E236 WeakPolarHBondContact O-CB 3.37Å; A232-E236 PolarHBondContact O-N 3.41Å; N233-E236 PolarHBondContact O-N 3.2Å; Q234-E236 VanDerWaalsContact C-N 3.34Å; E236-Q238 PolarHBondContact O-N 2.89Å; E236-S239 CarbonylContact O-C 3.45Å; E236-S239 WeakPolarHBondContact O-CA 3.46Å; E236-S239 WeakPolarHBondContact O-CB 3.48Å; E236-S239 PolarHBondContact O-N 2.99Å; E236-S239 PolarHBondContact O-OG 2.77Å; E236-F240 HydrophobicContact CG-CD2 3.73Å; E236-F240 HydrophobicContact CG-CE2 3.56Å; E236-F240 VanDerWaalsContact O-CD2 3.3Å; E236-F240 WeakPolarHBondContact O-CD2 3.41Å; E236-F240 PolarHBondContact O-N 3.37Å; E236-F240 WeakPolarHBondContact OE1-CE2 3.45Å |
| 237 | L | 74.9 | Confident | 77.7 | Confident | 121 Ų | 121 | 100.5 Ų | 100.5 | 63% | 0.634 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.6 | -39.1 | 176.7 | -174.5 | 67.6 | 0 | 0 | 0 | 111.9 | N233 Q234 S239 F240 T241 | N233-L237 WeakPolarHBondContact O-CB 3.45Å; N233-L237 PolarHBondContact O-N 3.09Å; Q234-L237 PolarHBondContact O-N 2.96Å; L237-S239 VanDerWaalsContact C-N 3.27Å; L237-S239 PolarHBondContact O-N 3.24Å; L237-F240 CarbonylContact O-C 3.41Å; L237-F240 PolarHBondContact O-N 3.2Å; L237-T241 PolarHBondContact O-N 2.94Å |
| 238 | Q | 70.8 | Confident | 77 | Confident | 127 Ų | 127 | 101.6 Ų | 101.6 | 59% | 0.593 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -63.2 | -36.8 | 172.6 | -68.8 | -70.4 | -11.1 | 0 | 0 | 110.9 | Q234 S235 E236 T241 | Q234-Q238 WeakPolarHBondContact O-CG 3.38Å; Q234-Q238 PolarHBondContact O-N 3.02Å; S235-Q238 PolarHBondContact O-N 3.44Å; E236-Q238 PolarHBondContact O-N 2.89Å; Q238-T241 WeakPolarHBondContact O-CG2 3.32Å; Q238-T241 PolarHBondContact O-N 3.47Å; Q238-T241 PolarHBondContact O-OG1 2.91Å |
| 239 | S | 65.8 | Low | 76.5 | Confident | 88 Ų | 88 | 97 Ų | 97 | 62% | 0.615 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -72.7 | -27.7 | 173.5 | 84.2 | 0 | 0 | 0 | 0 | 113.6 | S235 E236 L237 T241 | S235-S239 PolarHBondContact O-N 3.4Å; E236-S239 CarbonylContact O-C 3.45Å; E236-S239 WeakPolarHBondContact O-CA 3.46Å; E236-S239 WeakPolarHBondContact O-CB 3.48Å; E236-S239 PolarHBondContact O-N 2.99Å; E236-S239 PolarHBondContact O-OG 2.77Å; L237-S239 VanDerWaalsContact C-N 3.27Å; L237-S239 PolarHBondContact O-N 3.24Å; S239-T241 VanDerWaalsContact C-N 3.27Å; S239-T241 PolarHBondContact O-N 3.48Å |
| 240 | F | 61.1 | Low | 75.8 | Confident | 145 Ų | 145 | 98 Ų | 98 | 64% | 0.636 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | 17.9 | 174 | -82.1 | -61.1 | 0 | 0 | 0 | 113.9 | E236 L237 F242 | E236-F240 HydrophobicContact CG-CD2 3.73Å; E236-F240 HydrophobicContact CG-CE2 3.56Å; E236-F240 VanDerWaalsContact O-CD2 3.3Å; E236-F240 WeakPolarHBondContact O-CD2 3.41Å; E236-F240 PolarHBondContact O-N 3.37Å; E236-F240 WeakPolarHBondContact OE1-CE2 3.45Å; L237-F240 CarbonylContact O-C 3.41Å; L237-F240 PolarHBondContact O-N 3.2Å; F240-F242 PolarHBondContact O-N 3.3Å |
| 241 | T | 58.1 | Low | 75.6 | Confident | 70 Ų | 70 | 103 Ų | 103 | 43% | 0.429 | 54% | 0.539 | S | S | . | . | trans | -71.2 | 121.8 | 168.1 | 54.6 | 0 | 0 | 0 | 0 | 108.9 | L237 Q238 S239 T243 | L237-T241 PolarHBondContact O-N 2.94Å; Q238-T241 WeakPolarHBondContact O-CG2 3.32Å; Q238-T241 PolarHBondContact O-N 3.47Å; Q238-T241 PolarHBondContact O-OG1 2.91Å; S239-T241 VanDerWaalsContact C-N 3.27Å; S239-T241 PolarHBondContact O-N 3.48Å; T241-T243 PolarHBondContact O-N 2.91Å; T241-T243 VanDerWaalsContact O-N 3.1Å | ||
| 242 | F | 55.8 | Low | 75.4 | Confident | 131 Ų | 131 | 105.2 Ų | 105.2 | 58% | 0.575 | 54% | 0.541 | S | S | * | . | trans | -49.2 | 122.5 | 149.2 | -79 | -82.7 | 0 | 0 | 0 | 105.7 | F240 Q244 M253 | F240-F242 PolarHBondContact O-N 3.3Å; F242-Q244 PolarHBondContact O-N 3.33Å; F242-Q244 VanDerWaalsContact O-N 3.08Å; F242-M253 HydrophobicContact CD2-CG 4.43Å | ||
| 243 | T | 62.2 | Low | 75.2 | Confident | 112 Ų | 112 | 106.2 Ų | 106.2 | 69% | 0.687 | 54% | 0.536 | S | S | * | . | trans | -34.3 | 122 | 179.3 | -48.7 | 0 | 0 | 0 | 0 | 108.4 | T241 N245 S246 | T241-T243 PolarHBondContact O-N 2.91Å; T241-T243 VanDerWaalsContact O-N 3.1Å; T243-N245 PolarHBondContact O-N 2.93Å; T243-S246 PolarHBondContact O-N 3.26Å | ||
| 244 | Q | 60.5 | Low | 75.3 | Confident | 145 Ų | 145 | 108.5 Ų | 108.5 | 68% | 0.678 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | -10.4 | -168.7 | -88.5 | 179.1 | -20.6 | 0 | 0 | 115 | F242 K250 | F242-Q244 PolarHBondContact O-N 3.33Å; F242-Q244 VanDerWaalsContact O-N 3.08Å; Q244-K250 WeakPolarHBondContact O-CE 3.44Å; Q244-K250 PolarHBondContact O-NZ 3.39Å |
| 245 | N | 59 | Low | 75.6 | Confident | 152 Ų | 152 | 108.9 Ų | 108.9 | 81% | 0.813 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | -4.2 | 174.1 | -72.9 | -8.8 | 0 | 0 | 0 | 115.9 | T243 Q247 | T243-N245 PolarHBondContact O-N 2.93Å; N245-Q247 PolarHBondContact O-N 3.09Å |
| 246 | S | 78.1 | Confident | 76 | Confident | 44 Ų | 44 | 108 Ų | 108 | 31% | 0.308 | 53% | 0.531 | S | S | . | . | trans | -77.5 | 92.3 | 175.4 | -174.5 | 0 | 0 | 0 | 0 | 110.1 | T243 N248 G249 K250 | T243-S246 PolarHBondContact O-N 3.26Å; S246-N248 PolarHBondContact O-N 2.68Å; S246-G249 PolarHBondContact O-N 2.88Å; S246-G249 VanDerWaalsContact O-N 3.1Å; S246-G249 PolarHBondContact OG-N 2.9Å; S246-K250 PolarHBondContact O-N 3.26Å; S246-K250 VanDerWaalsContact O-N 3.1Å | ||
| 247 | Q | 79.5 | Confident | 76.6 | Confident | 132 Ų | 132 | 110.6 Ų | 110.6 | 62% | 0.617 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -54 | -32.6 | 173.9 | -174.1 | 63.7 | 5.4 | 0 | 0 | 111.8 | N245 R251 | N245-Q247 PolarHBondContact O-N 3.09Å; Q247-R251 PolarHBondContact O-N 3.47Å |
| 248 | N | 82 | Confident | 77.6 | Confident | 113 Ų | 113 | 108.1 Ų | 108.1 | 60% | 0.604 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68.7 | -47.7 | 176.1 | -170.1 | -69.2 | 0 | 0 | 0 | 111.9 | S246 K250 R251 M252 | S246-N248 PolarHBondContact O-N 2.68Å; N248-K250 VanDerWaalsContact C-N 3.34Å; N248-K250 PolarHBondContact O-N 3.46Å; N248-R251 PolarHBondContact O-N 3.22Å; N248-M252 PolarHBondContact O-N 2.93Å |
| 249 | G | 84.1 | Confident | 78.9 | Confident | 2 Ų | 2 | 105.1 Ų | 105.1 | 2% | 0.021 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -60 | -41.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | S246 R251 M252 M253 | S246-G249 PolarHBondContact O-N 2.88Å; S246-G249 VanDerWaalsContact O-N 3.1Å; S246-G249 PolarHBondContact OG-N 2.9Å; G249-R251 PolarHBondContact O-N 2.86Å; G249-M252 PolarHBondContact O-N 3.33Å; G249-M253 WeakPolarHBondContact O-CG 3.32Å; G249-M253 PolarHBondContact O-N 2.84Å |
| 250 | K | 80.5 | Confident | 80.4 | Confident | 115 Ų | 115 | 106.5 Ų | 106.5 | 50% | 0.5 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.2 | -45.9 | 174.5 | -71.6 | -177.2 | -178.5 | 170.7 | 0 | 112.3 | Q244 S246 N248 M252 M253 M254 | Q244-K250 WeakPolarHBondContact O-CE 3.44Å; Q244-K250 PolarHBondContact O-NZ 3.39Å; S246-K250 PolarHBondContact O-N 3.26Å; S246-K250 VanDerWaalsContact O-N 3.1Å; N248-K250 VanDerWaalsContact C-N 3.34Å; N248-K250 PolarHBondContact O-N 3.46Å; K250-M252 VanDerWaalsContact C-N 3.34Å; K250-M253 PolarHBondContact O-N 3.02Å; K250-M254 WeakPolarHBondContact O-CB 3.41Å; K250-M254 PolarHBondContact O-N 3.38Å |
| 251 | R | 88.4 | Confident | 82.1 | Confident | 179 Ų | 179 | 104.8 Ų | 104.8 | 68% | 0.675 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.7 | -43.1 | 176.9 | -173.9 | -174.1 | -65.8 | -173.5 | -1.6 | 111.3 | Q247 N248 G249 M254 R255 | Q247-R251 PolarHBondContact O-N 3.47Å; N248-R251 PolarHBondContact O-N 3.22Å; G249-R251 PolarHBondContact O-N 2.86Å; R251-M254 PolarHBondContact O-N 2.91Å; R251-R255 WeakPolarHBondContact O-CB 3.47Å; R251-R255 PolarHBondContact O-N 2.89Å |
| 252 | M | 88.5 | Confident | 84 | Confident | 102 Ų | 102 | 105.8 Ų | 105.8 | 50% | 0.502 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.2 | -50.2 | 178.3 | -167.7 | 67.4 | 71 | 0 | 0 | 111.4 | N248 G249 K250 M254 R255 I256 | N248-M252 PolarHBondContact O-N 2.93Å; G249-M252 PolarHBondContact O-N 3.33Å; K250-M252 VanDerWaalsContact C-N 3.34Å; M252-M254 VanDerWaalsContact C-N 3.33Å; M252-M254 PolarHBondContact O-N 3.11Å; M252-R255 PolarHBondContact O-N 3.29Å; M252-R255 VanDerWaalsContact O-N 3.12Å; M252-I256 HydrophobicContact CG-CD1 4.08Å; M252-I256 WeakPolarHBondContact O-CG1 3.47Å; M252-I256 PolarHBondContact O-N 3.04Å |
| 253 | M | 86.2 | Confident | 86 | Confident | 78 Ų | 78 | 104.2 Ų | 104.2 | 38% | 0.384 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.4 | -37.6 | 179.3 | -69.3 | -60.9 | -68.6 | 0 | 0 | 112.4 | F242 G249 K250 I256 R257 | F242-M253 HydrophobicContact CD2-CG 4.43Å; G249-M253 WeakPolarHBondContact O-CG 3.32Å; G249-M253 PolarHBondContact O-N 2.84Å; K250-M253 PolarHBondContact O-N 3.02Å; M253-I256 PolarHBondContact O-N 3.29Å; M253-I256 HydrophobicContact SD-CD1 4.22Å; M253-R257 WeakPolarHBondContact O-CG 3.25Å; M253-R257 PolarHBondContact O-N 3.29Å |
| 254 | M | 89.9 | Confident | 87.6 | Confident | 124 Ų | 124 | 105.2 Ų | 105.2 | 61% | 0.611 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.3 | -42.6 | 173 | -173.7 | 170.3 | -176.2 | 0 | 0 | 111.5 | K250 R251 M252 R257 V258 | K250-M254 WeakPolarHBondContact O-CB 3.41Å; K250-M254 PolarHBondContact O-N 3.38Å; R251-M254 PolarHBondContact O-N 2.91Å; M252-M254 VanDerWaalsContact C-N 3.33Å; M252-M254 PolarHBondContact O-N 3.11Å; M254-R257 PolarHBondContact O-N 2.86Å; M254-V258 WeakPolarHBondContact O-CG2 3.41Å; M254-V258 PolarHBondContact O-N 3.06Å |
| 255 | R | 94.6 | Very high | 89.3 | Confident | 127 Ų | 127 | 102.9 Ų | 102.9 | 48% | 0.479 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.6 | -40.4 | 176.7 | -176.9 | 55.5 | 175.5 | 148.3 | -1.4 | 112.1 | R251 M252 V258 L259 | R251-R255 WeakPolarHBondContact O-CB 3.47Å; R251-R255 PolarHBondContact O-N 2.89Å; M252-R255 PolarHBondContact O-N 3.29Å; M252-R255 VanDerWaalsContact O-N 3.12Å; R255-V258 PolarHBondContact O-N 2.82Å; R255-L259 HydrophobicContact CG-CD1 4.19Å; R255-L259 WeakPolarHBondContact O-CG 3.41Å; R255-L259 PolarHBondContact O-N 3.23Å |
| 256 | I | 94.4 | Very high | 91.1 | Very high | 67 Ų | 67 | 100.3 Ų | 100.3 | 34% | 0.344 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59 | -50.6 | 174.8 | -69.5 | 166.6 | 0 | 0 | 0 | 110 | M252 M253 V258 L259 E260 | M252-I256 HydrophobicContact CG-CD1 4.08Å; M252-I256 WeakPolarHBondContact O-CG1 3.47Å; M252-I256 PolarHBondContact O-N 3.04Å; M253-I256 PolarHBondContact O-N 3.29Å; M253-I256 HydrophobicContact SD-CD1 4.22Å; I256-V258 VanDerWaalsContact C-N 3.31Å; I256-V258 PolarHBondContact O-N 3.37Å; I256-L259 WeakPolarHBondContact O-CB 3.49Å; I256-L259 PolarHBondContact O-N 3.38Å; I256-E260 HydrophobicContact CG2-CG 4.28Å; I256-E260 WeakPolarHBondContact O-CG 3.38Å; I256-E260 PolarHBondContact O-N 3.47Å |
| 257 | R | 94.7 | Very high | 92 | Very high | 149 Ų | 149 | 100 Ų | 100 | 56% | 0.562 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -59 | -39.4 | 178 | -73.9 | -169.1 | -68.3 | -109.9 | 3.3 | 113.4 | M253 M254 E260 H261 | M253-R257 WeakPolarHBondContact O-CG 3.25Å; M253-R257 PolarHBondContact O-N 3.29Å; M254-R257 PolarHBondContact O-N 2.86Å; R257-E260 PolarHBondContact O-N 3.01Å; R257-H261 PolarHBondContact O-N 2.94Å; R257-H261 VanDerWaalsContact O-N 3.11Å |
| 258 | V | 96.1 | Very high | 92.8 | Very high | 69 Ų | 69 | 97.5 Ų | 97.5 | 42% | 0.418 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.5 | -44 | 175 | 170.5 | 0 | 0 | 0 | 0 | 110.9 | M254 R255 I256 H261 E262 | M254-V258 WeakPolarHBondContact O-CG2 3.41Å; M254-V258 PolarHBondContact O-N 3.06Å; R255-V258 PolarHBondContact O-N 2.82Å; I256-V258 VanDerWaalsContact C-N 3.31Å; I256-V258 PolarHBondContact O-N 3.37Å; V258-H261 PolarHBondContact O-N 3.46Å; V258-E262 WeakPolarHBondContact O-CB 3.49Å; V258-E262 PolarHBondContact O-N 3.12Å |
| 259 | L | 97.6 | Very high | 93.4 | Very high | 63 Ų | 63 | 96.1 Ų | 96.1 | 33% | 0.33 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -67.6 | -36.4 | 178.5 | -73.3 | 171.9 | 0 | 0 | 0 | 112.5 | R255 I256 E262 N263 | R255-L259 HydrophobicContact CG-CD1 4.19Å; R255-L259 WeakPolarHBondContact O-CG 3.41Å; R255-L259 PolarHBondContact O-N 3.23Å; I256-L259 WeakPolarHBondContact O-CB 3.49Å; I256-L259 PolarHBondContact O-N 3.38Å; L259-E262 PolarHBondContact O-N 3.14Å; L259-N263 VanDerWaalsContact O-CB 3.24Å; L259-N263 WeakPolarHBondContact O-CB 3.48Å; L259-N263 PolarHBondContact O-N 3.46Å; L259-N263 PolarHBondContact O-ND2 3.47Å |
| 260 | E | 97.3 | Very high | 93.9 | Very high | 117 Ų | 117 | 101.1 Ų | 101.1 | 55% | 0.547 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.8 | -46.6 | 174.5 | -73.2 | 171.2 | 154.7 | 0 | 0 | 110.9 | I256 R257 N263 E264 | I256-E260 HydrophobicContact CG2-CG 4.28Å; I256-E260 WeakPolarHBondContact O-CG 3.38Å; I256-E260 PolarHBondContact O-N 3.47Å; R257-E260 PolarHBondContact O-N 3.01Å; E260-N263 PolarHBondContact O-N 2.99Å; E260-E264 PolarHBondContact O-N 3.1Å |
| 261 | H | 97.2 | Very high | 94.5 | Very high | 110 Ų | 110 | 105.1 Ų | 105.1 | 51% | 0.509 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.2 | -45.1 | 175.6 | -177.7 | 54.4 | 0 | 0 | 0 | 112.3 | R257 V258 N263 E264 E265 | R257-H261 PolarHBondContact O-N 2.94Å; R257-H261 VanDerWaalsContact O-N 3.11Å; V258-H261 PolarHBondContact O-N 3.46Å; H261-N263 VanDerWaalsContact C-N 3.3Å; H261-N263 PolarHBondContact O-N 3.04Å; H261-E264 PolarHBondContact O-N 3.35Å; H261-E265 WeakPolarHBondContact O-CG 3.49Å; H261-E265 PolarHBondContact O-N 3.25Å |
| 262 | E | 97.4 | Very high | 94.7 | Very high | 91 Ų | 91 | 100.1 Ų | 100.1 | 43% | 0.425 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.1 | -40.5 | 175.7 | -174.1 | 179.7 | 173.2 | 0 | 0 | 111.6 | V258 L259 E265 L266 | V258-E262 WeakPolarHBondContact O-CB 3.49Å; V258-E262 PolarHBondContact O-N 3.12Å; L259-E262 PolarHBondContact O-N 3.14Å; E262-E265 PolarHBondContact O-N 3.25Å; E262-L266 HydrophobicContact CG-CD1 4.33Å; E262-L266 WeakPolarHBondContact O-CB 3.38Å; E262-L266 VanDerWaalsContact O-CG 3.25Å; E262-L266 WeakPolarHBondContact O-CG 3.3Å; E262-L266 PolarHBondContact O-N 3.25Å |
| 263 | N | 97.5 | Very high | 95 | Very high | 98 Ų | 98 | 96.1 Ų | 96.1 | 52% | 0.524 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66.9 | -38.3 | 176.4 | -76 | -21.2 | 0 | 0 | 0 | 112.5 | L259 E260 H261 L266 A267 | L259-N263 VanDerWaalsContact O-CB 3.24Å; L259-N263 WeakPolarHBondContact O-CB 3.48Å; L259-N263 PolarHBondContact O-N 3.46Å; L259-N263 PolarHBondContact O-ND2 3.47Å; E260-N263 PolarHBondContact O-N 2.99Å; H261-N263 VanDerWaalsContact C-N 3.3Å; H261-N263 PolarHBondContact O-N 3.04Å; N263-L266 PolarHBondContact O-N 3.32Å; N263-A267 VanDerWaalsContact O-CB 3.31Å; N263-A267 WeakPolarHBondContact O-CB 3.49Å; N263-A267 PolarHBondContact O-N 3.48Å |
| 264 | E | 96.7 | Very high | 95.5 | Very high | 133 Ų | 133 | 102 Ų | 102 | 62% | 0.621 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62.7 | -45.9 | 173.6 | -175.5 | 174.9 | -164.2 | 0 | 0 | 111 | E260 H261 A267 N268 | E260-E264 PolarHBondContact O-N 3.1Å; H261-E264 PolarHBondContact O-N 3.35Å; E264-A267 PolarHBondContact O-N 3.39Å; E264-N268 PolarHBondContact O-N 3.45Å |
| 265 | E | 96.2 | Very high | 95.7 | Very high | 96 Ų | 96 | 100.2 Ų | 100.2 | 45% | 0.449 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.4 | -44.7 | 175.4 | -71.3 | -65.1 | 109.4 | 0 | 0 | 111.8 | H261 E262 A267 N268 V269 | H261-E265 WeakPolarHBondContact O-CG 3.49Å; H261-E265 PolarHBondContact O-N 3.25Å; E262-E265 PolarHBondContact O-N 3.25Å; E265-A267 PolarHBondContact O-N 3.33Å; E265-N268 WeakPolarHBondContact O-CB 3.42Å; E265-N268 PolarHBondContact O-N 3.42Å; E265-V269 WeakPolarHBondContact O-CG2 3.47Å; E265-V269 PolarHBondContact O-N 3.48Å |
| 266 | L | 96.4 | Very high | 95.8 | Very high | 98 Ų | 98 | 95 Ų | 95 | 51% | 0.513 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.5 | -39.6 | 175.5 | -72.8 | 175.3 | 0 | 0 | 0 | 112 | E262 N263 N268 V269 N270 | E262-L266 HydrophobicContact CG-CD1 4.33Å; E262-L266 WeakPolarHBondContact O-CB 3.38Å; E262-L266 VanDerWaalsContact O-CG 3.25Å; E262-L266 WeakPolarHBondContact O-CG 3.3Å; E262-L266 PolarHBondContact O-N 3.25Å; N263-L266 PolarHBondContact O-N 3.32Å; L266-N268 VanDerWaalsContact C-N 3.32Å; L266-N268 PolarHBondContact O-N 3.18Å; L266-V269 PolarHBondContact O-N 2.87Å; L266-N270 VanDerWaalsContact O-CB 3.26Å; L266-N270 WeakPolarHBondContact O-CB 3.36Å; L266-N270 PolarHBondContact O-N 3.14Å |
| 267 | A | 96.3 | Very high | 95.9 | Very high | 37 Ų | 37 | 100.6 Ų | 100.6 | 31% | 0.306 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.1 | -38.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | N263 E264 E265 N270 R271 | N263-A267 VanDerWaalsContact O-CB 3.31Å; N263-A267 WeakPolarHBondContact O-CB 3.49Å; N263-A267 PolarHBondContact O-N 3.48Å; E264-A267 PolarHBondContact O-N 3.39Å; E265-A267 PolarHBondContact O-N 3.33Å; A267-N270 PolarHBondContact O-N 2.8Å; A267-R271 VanDerWaalsContact O-CG 3.27Å; A267-R271 WeakPolarHBondContact O-CG 3.39Å; A267-R271 PolarHBondContact O-N 2.95Å |
| 268 | N | 96.2 | Very high | 96 | Very high | 79 Ų | 79 | 97.2 Ų | 97.2 | 42% | 0.422 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.6 | -46.7 | 175 | -174 | 37.4 | 0 | 0 | 0 | 111.9 | E264 E265 L266 N270 R271 T272 | E264-N268 PolarHBondContact O-N 3.45Å; E265-N268 WeakPolarHBondContact O-CB 3.42Å; E265-N268 PolarHBondContact O-N 3.42Å; L266-N268 VanDerWaalsContact C-N 3.32Å; L266-N268 PolarHBondContact O-N 3.18Å; N268-N270 VanDerWaalsContact C-N 3.3Å; N268-N270 PolarHBondContact O-N 2.96Å; N268-R271 PolarHBondContact O-N 3.33Å; N268-R271 VanDerWaalsContact O-N 3.16Å; N268-T272 PolarHBondContact O-N 3.26Å; N268-T272 PolarHBondContact O-OG1 3.07Å |
| 269 | V | 95.5 | Very high | 96.1 | Very high | 84 Ų | 84 | 99 Ų | 99 | 51% | 0.509 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.2 | -38.8 | 174.7 | 172.2 | 0 | 0 | 0 | 0 | 111.1 | E265 L266 R271 G273 | E265-V269 WeakPolarHBondContact O-CG2 3.47Å; E265-V269 PolarHBondContact O-N 3.48Å; L266-V269 PolarHBondContact O-N 2.87Å; V269-R271 VanDerWaalsContact C-N 3.32Å; V269-R271 PolarHBondContact O-N 3.03Å; V269-G273 WeakPolarHBondContact O-CA 3.08Å; V269-G273 PolarHBondContact O-N 3.34Å |
| 270 | N | 95.4 | Very high | 96 | Very high | 108 Ų | 108 | 99.3 Ų | 99.3 | 58% | 0.578 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -69.6 | -27.5 | 177.2 | -168.3 | 50.7 | 0 | 0 | 0 | 113 | L266 A267 N268 A276 | L266-N270 VanDerWaalsContact O-CB 3.26Å; L266-N270 WeakPolarHBondContact O-CB 3.36Å; L266-N270 PolarHBondContact O-N 3.14Å; A267-N270 PolarHBondContact O-N 2.8Å; N268-N270 VanDerWaalsContact C-N 3.3Å; N268-N270 PolarHBondContact O-N 2.96Å; N270-A276 WeakPolarHBondContact O-CB 3.46Å |
| 271 | R | 93.3 | Very high | 96.1 | Very high | 198 Ų | 198 | 97.9 Ų | 97.9 | 75% | 0.747 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -84.3 | -37.4 | 177.1 | -71.9 | 173 | -170.6 | 167.3 | 4.7 | 113.3 | A267 N268 V269 A276 | A267-R271 VanDerWaalsContact O-CG 3.27Å; A267-R271 WeakPolarHBondContact O-CG 3.39Å; A267-R271 PolarHBondContact O-N 2.95Å; N268-R271 PolarHBondContact O-N 3.33Å; N268-R271 VanDerWaalsContact O-N 3.16Å; V269-R271 VanDerWaalsContact C-N 3.32Å; V269-R271 PolarHBondContact O-N 3.03Å; R271-A276 WeakPolarHBondContact O-CB 3.4Å |
| 272 | T | 92.2 | Very high | 96.1 | Very high | 75 Ų | 75 | 96.7 Ų | 96.7 | 46% | 0.46 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -121.2 | -11.7 | -167.6 | 65.2 | 0 | 0 | 0 | 0 | 114.4 | N268 R277 | N268-T272 PolarHBondContact O-N 3.26Å; N268-T272 PolarHBondContact O-OG1 3.07Å; T272-R277 PolarHBondContact O-NE 3.37Å |
| 273 | G | 94.5 | Very high | 96.1 | Very high | 17 Ų | 17 | 95.5 Ų | 95.5 | 18% | 0.175 | 48% | 0.483 | C | S | . | . | S | Bend | trans | -70.3 | 178.7 | -176 | 0 | 0 | 0 | 0 | 0 | 113.4 | V269 T275 A276 R277 | V269-G273 WeakPolarHBondContact O-CA 3.08Å; V269-G273 PolarHBondContact O-N 3.34Å; G273-T275 VanDerWaalsContact C-N 3.28Å; G273-T275 PolarHBondContact O-N 3.01Å; G273-A276 PolarHBondContact O-N 3.32Å; G273-R277 PolarHBondContact O-N 3.48Å |
| 274 | R | 96.4 | Very high | 96.1 | Very high | 202 Ų | 202 | 96.6 Ų | 96.6 | 76% | 0.762 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -58.6 | -39.2 | -177 | -177 | 177.2 | 175 | 137.8 | 0.9 | 112.5 | R277 L278 | R274-R277 PolarHBondContact O-N 3.01Å; R274-L278 HydrophobicContact CG-CD1 3.93Å; R274-L278 HydrophobicContact CG-CG 4.29Å; R274-L278 WeakPolarHBondContact O-CG 3.5Å; R274-L278 PolarHBondContact O-N 2.96Å |
| 275 | T | 94.3 | Very high | 96.2 | Very high | 86 Ų | 86 | 97.5 Ų | 97.5 | 53% | 0.528 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.6 | -49.6 | 179.6 | -50.2 | 0 | 0 | 0 | 0 | 111.3 | G273 R277 L278 E279 | G273-T275 VanDerWaalsContact C-N 3.28Å; G273-T275 PolarHBondContact O-N 3.01Å; T275-R277 VanDerWaalsContact C-N 3.31Å; T275-R277 PolarHBondContact O-N 3.39Å; T275-L278 PolarHBondContact O-N 3.44Å; T275-L278 VanDerWaalsContact O-N 3.17Å; T275-E279 HydrophobicContact CG2-CG 4.46Å; T275-E279 WeakPolarHBondContact O-CB 3.42Å; T275-E279 WeakPolarHBondContact O-CG 3.46Å; T275-E279 PolarHBondContact O-N 2.95Å |
| 276 | A | 96.6 | Very high | 96.3 | Very high | 19 Ų | 19 | 101.5 Ų | 101.5 | 16% | 0.157 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -59 | -40.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | N270 R271 G273 E279 S280 | N270-A276 WeakPolarHBondContact O-CB 3.46Å; R271-A276 WeakPolarHBondContact O-CB 3.4Å; G273-A276 PolarHBondContact O-N 3.32Å; A276-E279 PolarHBondContact O-N 2.93Å; A276-S280 WeakPolarHBondContact O-CB 3.5Å; A276-S280 PolarHBondContact O-N 3.13Å |
| 277 | R | 96.4 | Very high | 96.4 | Very high | 184 Ų | 184 | 99.1 Ų | 99.1 | 69% | 0.694 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -65.4 | -44 | 176.3 | -65.2 | -179.4 | -169.6 | -166.9 | -1.8 | 112.1 | T272 G273 R274 T275 S280 E281 | T272-R277 PolarHBondContact O-NE 3.37Å; G273-R277 PolarHBondContact O-N 3.48Å; R274-R277 PolarHBondContact O-N 3.01Å; T275-R277 VanDerWaalsContact C-N 3.31Å; T275-R277 PolarHBondContact O-N 3.39Å; R277-S280 PolarHBondContact O-N 2.95Å; R277-E281 PolarHBondContact O-N 3.41Å |
| 278 | L | 97.6 | Very high | 96.4 | Very high | 77 Ų | 77 | 103 Ų | 103 | 40% | 0.403 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.3 | -38.8 | 177.2 | -70.3 | 173.8 | 0 | 0 | 0 | 111.6 | R274 T275 E281 I282 | R274-L278 HydrophobicContact CG-CD1 3.93Å; R274-L278 HydrophobicContact CG-CG 4.29Å; R274-L278 WeakPolarHBondContact O-CG 3.5Å; R274-L278 PolarHBondContact O-N 2.96Å; T275-L278 PolarHBondContact O-N 3.44Å; T275-L278 VanDerWaalsContact O-N 3.17Å; L278-E281 PolarHBondContact O-N 2.71Å; L278-I282 WeakPolarHBondContact O-CB 3.34Å; L278-I282 WeakPolarHBondContact O-CD1 3.36Å; L278-I282 WeakPolarHBondContact O-CG1 3.15Å; L278-I282 PolarHBondContact O-N 2.88Å |
| 279 | E | 96.9 | Very high | 96.5 | Very high | 108 Ų | 108 | 102.8 Ų | 102.8 | 51% | 0.505 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.5 | -41.9 | 174.5 | -73.9 | 174.3 | 176.3 | 0 | 0 | 112 | T275 A276 I282 S283 | T275-E279 HydrophobicContact CG2-CG 4.46Å; T275-E279 WeakPolarHBondContact O-CB 3.42Å; T275-E279 WeakPolarHBondContact O-CG 3.46Å; T275-E279 PolarHBondContact O-N 2.95Å; A276-E279 PolarHBondContact O-N 2.93Å; E279-I282 PolarHBondContact O-N 3.33Å; E279-S283 WeakPolarHBondContact O-CB 3.23Å; E279-S283 PolarHBondContact O-N 2.89Å; E279-S283 PolarHBondContact O-OG 2.94Å |
| 280 | S | 96.7 | Very high | 96.7 | Very high | 69 Ų | 69 | 102.8 Ų | 102.8 | 48% | 0.483 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62 | -48 | 172.6 | 179 | 0 | 0 | 0 | 0 | 111.6 | A276 R277 I282 S283 L284 | A276-S280 WeakPolarHBondContact O-CB 3.5Å; A276-S280 PolarHBondContact O-N 3.13Å; R277-S280 PolarHBondContact O-N 2.95Å; S280-I282 PolarHBondContact O-N 3.03Å; S280-S283 WeakPolarHBondContact O-CB 3.43Å; S280-S283 PolarHBondContact O-N 2.79Å; S280-S283 VanDerWaalsContact O-N 3.15Å; S280-L284 WeakPolarHBondContact O-CG 3.42Å; S280-L284 PolarHBondContact O-N 3.18Å |
| 281 | E | 97.6 | Very high | 96.8 | Very high | 87 Ų | 87 | 102.3 Ų | 102.3 | 41% | 0.407 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.5 | -46.7 | 176.7 | -174.6 | 176.4 | -179.1 | 0 | 0 | 111.4 | R277 L278 S283 L284 R285 | R277-E281 PolarHBondContact O-N 3.41Å; L278-E281 PolarHBondContact O-N 2.71Å; E281-S283 PolarHBondContact O-N 2.75Å; E281-L284 PolarHBondContact O-N 2.94Å; E281-R285 HydrophobicContact CG-CG 4.26Å; E281-R285 VanDerWaalsContact O-CG 3.23Å; E281-R285 WeakPolarHBondContact O-CG 3.4Å; E281-R285 PolarHBondContact O-N 3.32Å; E281-R285 IonicContact OE1-CZ 3.38Å; E281-R285 IonicContact OE1-NE 3.38Å; E281-R285 PolarHBondContact OE1-NE 3.31Å; E281-R285 IonicContact OE1-NH2 3.99Å; E281-R285 PolarHBondContact OE1-NH2 3.15Å |
| 282 | I | 98 | Very high | 97 | Very high | 84 Ų | 84 | 97.4 Ų | 97.4 | 43% | 0.431 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -57.7 | -40.6 | 176.1 | -71 | 163.3 | 0 | 0 | 0 | 110.7 | L278 E279 S280 R285 R286 | L278-I282 WeakPolarHBondContact O-CB 3.34Å; L278-I282 WeakPolarHBondContact O-CD1 3.36Å; L278-I282 WeakPolarHBondContact O-CG1 3.15Å; L278-I282 PolarHBondContact O-N 2.88Å; E279-I282 PolarHBondContact O-N 3.33Å; S280-I282 PolarHBondContact O-N 3.03Å; I282-R285 PolarHBondContact O-N 3.19Å; I282-R286 WeakPolarHBondContact O-CB 3.47Å; I282-R286 VanDerWaalsContact O-CG 3.3Å; I282-R286 WeakPolarHBondContact O-CG 3.37Å; I282-R286 PolarHBondContact O-N 2.86Å |
| 283 | S | 97.5 | Very high | 97.3 | Very high | 67 Ų | 67 | 100.4 Ų | 100.4 | 47% | 0.469 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.5 | -44.4 | 177.9 | -58.4 | 0 | 0 | 0 | 0 | 111.8 | E279 S280 E281 R286 A287 | E279-S283 WeakPolarHBondContact O-CB 3.23Å; E279-S283 PolarHBondContact O-N 2.89Å; E279-S283 PolarHBondContact O-OG 2.94Å; S280-S283 WeakPolarHBondContact O-CB 3.43Å; S280-S283 PolarHBondContact O-N 2.79Å; S280-S283 VanDerWaalsContact O-N 3.15Å; E281-S283 PolarHBondContact O-N 2.75Å; S283-R286 PolarHBondContact O-N 2.89Å; S283-A287 PolarHBondContact O-N 3.49Å |
| 284 | L | 98.2 | Very high | 97.5 | Very high | 121 Ų | 121 | 103.3 Ų | 103.3 | 63% | 0.634 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63 | -41.8 | 174.5 | -69.3 | 171.4 | 0 | 0 | 0 | 112.2 | S280 E281 R286 A287 F288 | S280-L284 WeakPolarHBondContact O-CG 3.42Å; S280-L284 PolarHBondContact O-N 3.18Å; E281-L284 PolarHBondContact O-N 2.94Å; L284-R286 VanDerWaalsContact C-N 3.34Å; L284-R286 PolarHBondContact O-N 3.37Å; L284-A287 PolarHBondContact O-N 3.47Å; L284-F288 PolarHBondContact O-N 3.03Å |
| 285 | R | 97.5 | Very high | 97.5 | Very high | 152 Ų | 152 | 96.3 Ų | 96.3 | 57% | 0.574 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63.5 | -39.8 | 176.4 | -64.6 | -67.3 | -177.6 | -178.9 | 0.5 | 111.7 | E281 I282 F288 V289 | E281-R285 HydrophobicContact CG-CG 4.26Å; E281-R285 VanDerWaalsContact O-CG 3.23Å; E281-R285 WeakPolarHBondContact O-CG 3.4Å; E281-R285 PolarHBondContact O-N 3.32Å; E281-R285 IonicContact OE1-CZ 3.38Å; E281-R285 IonicContact OE1-NE 3.38Å; E281-R285 PolarHBondContact OE1-NE 3.31Å; E281-R285 IonicContact OE1-NH2 3.99Å; E281-R285 PolarHBondContact OE1-NH2 3.15Å; I282-R285 PolarHBondContact O-N 3.19Å; R285-F288 PolarHBondContact O-N 3.5Å; R285-V289 WeakPolarHBondContact O-CG2 3.33Å; R285-V289 PolarHBondContact O-N 3.13Å |
| 286 | R | 98.4 | Very high | 97.7 | Very high | 179 Ų | 179 | 96.8 Ų | 96.8 | 68% | 0.675 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -63.9 | -43.7 | 175.4 | -76 | 173.7 | 179.7 | 170.8 | 0.8 | 111.7 | I282 S283 L284 V289 N290 | I282-R286 WeakPolarHBondContact O-CB 3.47Å; I282-R286 VanDerWaalsContact O-CG 3.3Å; I282-R286 WeakPolarHBondContact O-CG 3.37Å; I282-R286 PolarHBondContact O-N 2.86Å; S283-R286 PolarHBondContact O-N 2.89Å; L284-R286 VanDerWaalsContact C-N 3.34Å; L284-R286 PolarHBondContact O-N 3.37Å; R286-V289 PolarHBondContact O-N 3.48Å; R286-N290 WeakPolarHBondContact O-CB 3.27Å; R286-N290 PolarHBondContact O-N 3.23Å |
| 287 | A | 98.1 | Very high | 97.8 | Very high | 48 Ų | 48 | 98.5 Ų | 98.5 | 40% | 0.397 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59 | -49.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | S283 L284 V289 N290 D291 | S283-A287 PolarHBondContact O-N 3.49Å; L284-A287 PolarHBondContact O-N 3.47Å; A287-V289 PolarHBondContact O-N 2.85Å; A287-N290 CarbonylContact O-C 3.59Å; A287-N290 WeakPolarHBondContact O-CA 3.26Å; A287-N290 WeakPolarHBondContact O-CB 3.31Å; A287-N290 PolarHBondContact O-N 2.82Å; A287-D291 VanDerWaalsContact O-CG 3.29Å; A287-D291 PolarHBondContact O-N 3.17Å |
| 288 | F | 98.3 | Very high | 97.8 | Very high | 118 Ų | 118 | 94.7 Ų | 94.7 | 52% | 0.518 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.2 | -43.2 | 176.9 | 178.6 | -106.4 | 0 | 0 | 0 | 113.4 | L284 R285 N290 D291 L292 | L284-F288 PolarHBondContact O-N 3.03Å; R285-F288 PolarHBondContact O-N 3.5Å; F288-N290 VanDerWaalsContact C-N 3.29Å; F288-N290 PolarHBondContact O-N 2.97Å; F288-D291 PolarHBondContact O-N 2.96Å; F288-L292 HydrophobicContact CD1-CD1 4Å; F288-L292 HydrophobicContact CE1-CD1 3.42Å; F288-L292 VanDerWaalsContact CE1-CD1 3.42Å; F288-L292 HydrophobicContact CE1-CG 4.18Å; F288-L292 HydrophobicContact CE2-CD1 4.41Å; F288-L292 HydrophobicContact CE2-CG 4.35Å; F288-L292 HydrophobicContact CZ-CD1 3.65Å; F288-L292 HydrophobicContact CZ-CD2 4.33Å; F288-L292 HydrophobicContact CZ-CG 4.06Å; F288-L292 WeakPolarHBondContact O-CG 3.42Å; F288-L292 PolarHBondContact O-N 3.33Å |
| 289 | V | 98 | Very high | 97.8 | Very high | 75 Ų | 75 | 96 Ų | 96 | 46% | 0.455 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.1 | -37.1 | 175.1 | 169 | 0 | 0 | 0 | 0 | 111.3 | R285 R286 A287 K293 | R285-V289 WeakPolarHBondContact O-CG2 3.33Å; R285-V289 PolarHBondContact O-N 3.13Å; R286-V289 PolarHBondContact O-N 3.48Å; A287-V289 PolarHBondContact O-N 2.85Å; V289-K293 HydrophobicContact CG1-CD 4.46Å; V289-K293 WeakPolarHBondContact O-CG 3.27Å; V289-K293 PolarHBondContact O-N 3.24Å |
| 290 | N | 98 | Very high | 97.9 | Very high | 85 Ų | 85 | 96.1 Ų | 96.1 | 46% | 0.455 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.8 | -43.3 | 176.5 | -166.1 | 72.4 | 0 | 0 | 0 | 111.7 | R286 A287 F288 L292 K293 N294 | R286-N290 WeakPolarHBondContact O-CB 3.27Å; R286-N290 PolarHBondContact O-N 3.23Å; A287-N290 CarbonylContact O-C 3.59Å; A287-N290 WeakPolarHBondContact O-CA 3.26Å; A287-N290 WeakPolarHBondContact O-CB 3.31Å; A287-N290 PolarHBondContact O-N 2.82Å; F288-N290 VanDerWaalsContact C-N 3.29Å; F288-N290 PolarHBondContact O-N 2.97Å; N290-L292 VanDerWaalsContact C-N 3.34Å; N290-L292 PolarHBondContact O-N 3.39Å; N290-K293 WeakPolarHBondContact O-CB 3.09Å; N290-K293 PolarHBondContact O-N 3.47Å; N290-K293 VanDerWaalsContact O-N 3.14Å; N290-N294 VanDerWaalsContact O-CG 3.3Å; N290-N294 PolarHBondContact O-N 3.47Å; N290-N294 PolarHBondContact O-OD1 3.2Å |
| 291 | D | 98.1 | Very high | 97.9 | Very high | 98 Ų | 98 | 99.6 Ų | 99.6 | 52% | 0.524 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.5 | -41.6 | 176.6 | -62.3 | -18.1 | 0 | 0 | 0 | 111.3 | A287 F288 K293 N294 A295 | A287-D291 VanDerWaalsContact O-CG 3.29Å; A287-D291 PolarHBondContact O-N 3.17Å; F288-D291 PolarHBondContact O-N 2.96Å; D291-K293 VanDerWaalsContact C-N 3.34Å; D291-K293 PolarHBondContact O-N 3.31Å; D291-N294 PolarHBondContact O-N 3.34Å; D291-A295 WeakPolarHBondContact O-CB 3.25Å; D291-A295 PolarHBondContact O-N 3.43Å |
| 292 | L | 98.3 | Very high | 98 | Very high | 94 Ų | 94 | 100.8 Ų | 100.8 | 49% | 0.492 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.5 | -37.3 | 173.3 | -74 | 179.3 | 0 | 0 | 0 | 112.8 | F288 N290 H296 | F288-L292 HydrophobicContact CD1-CD1 4Å; F288-L292 HydrophobicContact CE1-CD1 3.42Å; F288-L292 VanDerWaalsContact CE1-CD1 3.42Å; F288-L292 HydrophobicContact CE1-CG 4.18Å; F288-L292 HydrophobicContact CE2-CD1 4.41Å; F288-L292 HydrophobicContact CE2-CG 4.35Å; F288-L292 HydrophobicContact CZ-CD1 3.65Å; F288-L292 HydrophobicContact CZ-CD2 4.33Å; F288-L292 HydrophobicContact CZ-CG 4.06Å; F288-L292 WeakPolarHBondContact O-CG 3.42Å; F288-L292 PolarHBondContact O-N 3.33Å; N290-L292 VanDerWaalsContact C-N 3.34Å; N290-L292 PolarHBondContact O-N 3.39Å; L292-H296 VanDerWaalsContact O-CB 3.29Å; L292-H296 WeakPolarHBondContact O-CB 3.34Å; L292-H296 PolarHBondContact O-N 3.33Å |
| 293 | K | 98.3 | Very high | 98 | Very high | 139 Ų | 139 | 100.2 Ų | 100.2 | 60% | 0.604 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.6 | -43 | 175.4 | -78.5 | 178.4 | 173.8 | -169.2 | 0 | 111.5 | V289 N290 D291 H296 S297 | V289-K293 HydrophobicContact CG1-CD 4.46Å; V289-K293 WeakPolarHBondContact O-CG 3.27Å; V289-K293 PolarHBondContact O-N 3.24Å; N290-K293 WeakPolarHBondContact O-CB 3.09Å; N290-K293 PolarHBondContact O-N 3.47Å; N290-K293 VanDerWaalsContact O-N 3.14Å; D291-K293 VanDerWaalsContact C-N 3.34Å; D291-K293 PolarHBondContact O-N 3.31Å; K293-H296 PolarHBondContact O-N 3.3Å; K293-S297 PolarHBondContact O-N 3.42Å; K293-S297 PolarHBondContact O-OG 3.23Å |
| 294 | N | 97.7 | Very high | 98 | Very high | 77 Ų | 77 | 102.9 Ų | 102.9 | 41% | 0.412 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.2 | -46.9 | 176.1 | -65.3 | -14.2 | 0 | 0 | 0 | 111.1 | N290 D291 H296 S297 D298 | N290-N294 VanDerWaalsContact O-CG 3.3Å; N290-N294 PolarHBondContact O-N 3.47Å; N290-N294 PolarHBondContact O-OD1 3.2Å; D291-N294 PolarHBondContact O-N 3.34Å; N294-H296 PolarHBondContact O-N 3.01Å; N294-S297 WeakPolarHBondContact CA-OG 3.39Å; N294-S297 PolarHBondContact O-N 2.98Å; N294-S297 PolarHBondContact O-OG 3.25Å; N294-D298 PolarHBondContact O-N 3.44Å |
| 295 | A | 97.9 | Very high | 98 | Very high | 56 Ų | 56 | 101 Ų | 101 | 46% | 0.463 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.4 | -33.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | D291 M299 | D291-A295 WeakPolarHBondContact O-CB 3.25Å; D291-A295 PolarHBondContact O-N 3.43Å; A295-M299 WeakPolarHBondContact O-CB 3.45Å; A295-M299 PolarHBondContact O-N 3.25Å; A295-M299 VanDerWaalsContact O-N 3.09Å |
| 296 | H | 97.6 | Very high | 98 | Very high | 95 Ų | 95 | 96.3 Ų | 96.3 | 44% | 0.44 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.8 | -43.9 | 174.6 | -172.5 | 20.6 | 0 | 0 | 0 | 111.9 | L292 K293 N294 D298 M299 E300 | L292-H296 VanDerWaalsContact O-CB 3.29Å; L292-H296 WeakPolarHBondContact O-CB 3.34Å; L292-H296 PolarHBondContact O-N 3.33Å; K293-H296 PolarHBondContact O-N 3.3Å; N294-H296 PolarHBondContact O-N 3.01Å; H296-D298 VanDerWaalsContact C-N 3.31Å; H296-D298 PolarHBondContact O-N 3.44Å; H296-M299 PolarHBondContact O-N 3.06Å; H296-E300 IonicContact CD2-OE1 2.82Å; H296-E300 IonicContact CE1-OE1 3.12Å; H296-E300 PolarHBondContact CE1-OE1 2.93Å; H296-E300 IonicContact NE2-OE1 2.88Å; H296-E300 PolarHBondContact NE2-OE1 3.16Å; H296-E300 WeakPolarHBondContact O-CG 3.36Å; H296-E300 PolarHBondContact O-N 3.48Å |
| 297 | S | 97.8 | Very high | 98 | Very high | 55 Ų | 55 | 93.6 Ų | 93.6 | 39% | 0.385 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.9 | -37.4 | 176.2 | 55.7 | 0 | 0 | 0 | 0 | 112.2 | K293 N294 M299 E300 Y301 | K293-S297 PolarHBondContact O-N 3.42Å; K293-S297 PolarHBondContact O-OG 3.23Å; N294-S297 WeakPolarHBondContact CA-OG 3.39Å; N294-S297 PolarHBondContact O-N 2.98Å; N294-S297 PolarHBondContact O-OG 3.25Å; S297-M299 VanDerWaalsContact C-N 3.33Å; S297-E300 PolarHBondContact O-N 3.24Å; S297-Y301 PolarHBondContact O-N 3.45Å |
| 298 | D | 97.6 | Very high | 98 | Very high | 104 Ų | 104 | 94.7 Ų | 94.7 | 56% | 0.556 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.6 | -41.9 | 175.3 | -65 | -11 | 0 | 0 | 0 | 110.8 | N294 H296 Y301 L302 | N294-D298 PolarHBondContact O-N 3.44Å; H296-D298 VanDerWaalsContact C-N 3.31Å; H296-D298 PolarHBondContact O-N 3.44Å; D298-Y301 PolarHBondContact O-N 3.42Å; D298-L302 WeakPolarHBondContact O-CG 3.24Å; D298-L302 PolarHBondContact O-N 3.04Å; D298-L302 VanDerWaalsContact O-N 3.13Å |
| 299 | M | 97.8 | Very high | 98 | Very high | 106 Ų | 106 | 94.6 Ų | 94.6 | 52% | 0.522 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68.4 | -37.9 | 175.2 | 177.4 | 173.4 | 39.8 | 0 | 0 | 112.6 | A295 H296 S297 Y301 L302 V303 | A295-M299 WeakPolarHBondContact O-CB 3.45Å; A295-M299 PolarHBondContact O-N 3.25Å; A295-M299 VanDerWaalsContact O-N 3.09Å; H296-M299 PolarHBondContact O-N 3.06Å; S297-M299 VanDerWaalsContact C-N 3.33Å; M299-Y301 VanDerWaalsContact C-N 3.31Å; M299-Y301 PolarHBondContact O-N 2.83Å; M299-L302 PolarHBondContact O-N 3.1Å; M299-V303 WeakPolarHBondContact O-CG2 3.36Å; M299-V303 PolarHBondContact O-N 3.05Å |
| 300 | E | 98.3 | Very high | 98 | Very high | 110 Ų | 110 | 93.8 Ų | 93.8 | 51% | 0.514 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.3 | -42.2 | 173.9 | -75.6 | 177.2 | 154 | 0 | 0 | 111 | H296 S297 V303 E304 | H296-E300 IonicContact CD2-OE1 2.82Å; H296-E300 IonicContact CE1-OE1 3.12Å; H296-E300 PolarHBondContact CE1-OE1 2.93Å; H296-E300 IonicContact NE2-OE1 2.88Å; H296-E300 PolarHBondContact NE2-OE1 3.16Å; H296-E300 WeakPolarHBondContact O-CG 3.36Å; H296-E300 PolarHBondContact O-N 3.48Å; S297-E300 PolarHBondContact O-N 3.24Å; E300-V303 PolarHBondContact O-N 2.87Å; E300-E304 PolarHBondContact O-N 3.27Å |
| 301 | Y | 97.8 | Very high | 98 | Very high | 142 Ų | 142 | 96.5 Ų | 96.5 | 56% | 0.557 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.6 | -44.6 | 173.9 | 176 | -90.1 | 0 | 0 | 0 | 112.3 | S297 D298 M299 V303 E304 E305 | S297-Y301 PolarHBondContact O-N 3.45Å; D298-Y301 PolarHBondContact O-N 3.42Å; M299-Y301 VanDerWaalsContact C-N 3.31Å; M299-Y301 PolarHBondContact O-N 2.83Å; Y301-V303 VanDerWaalsContact C-N 3.31Å; Y301-V303 PolarHBondContact O-N 2.79Å; Y301-E304 PolarHBondContact O-N 3.32Å; Y301-E305 WeakPolarHBondContact CE1-OE2 3.5Å; Y301-E305 PolarHBondContact O-N 2.9Å |
| 302 | L | 97.8 | Very high | 98 | Very high | 111 Ų | 111 | 96.5 Ų | 96.5 | 58% | 0.581 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65 | -34 | 176.8 | -67.7 | 175.5 | 0 | 0 | 0 | 112.9 | D298 M299 A306 | D298-L302 WeakPolarHBondContact O-CG 3.24Å; D298-L302 PolarHBondContact O-N 3.04Å; D298-L302 VanDerWaalsContact O-N 3.13Å; M299-L302 PolarHBondContact O-N 3.1Å; L302-A306 WeakPolarHBondContact O-CB 3.36Å; L302-A306 PolarHBondContact O-N 2.85Å |
| 303 | V | 98.3 | Very high | 98 | Very high | 72 Ų | 72 | 97.8 Ų | 97.8 | 44% | 0.436 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.6 | -44.3 | 174.7 | 169.9 | 0 | 0 | 0 | 0 | 110.3 | M299 E300 Y301 E305 A306 E307 | M299-V303 WeakPolarHBondContact O-CG2 3.36Å; M299-V303 PolarHBondContact O-N 3.05Å; E300-V303 PolarHBondContact O-N 2.87Å; Y301-V303 VanDerWaalsContact C-N 3.31Å; Y301-V303 PolarHBondContact O-N 2.79Å; V303-E305 VanDerWaalsContact C-N 3.35Å; V303-E305 PolarHBondContact O-N 3.48Å; V303-A306 PolarHBondContact O-N 2.96Å; V303-E307 HydrophobicContact CG1-CG 4.43Å; V303-E307 WeakPolarHBondContact O-CG 3.34Å; V303-E307 PolarHBondContact O-N 3.48Å |
| 304 | E | 98 | Very high | 98 | Very high | 124 Ų | 124 | 93 Ų | 93 | 58% | 0.579 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -58.8 | -46.1 | 174.8 | -175 | 174.8 | -169.6 | 0 | 0 | 111 | E300 Y301 A306 E307 T308 | E300-E304 PolarHBondContact O-N 3.27Å; Y301-E304 PolarHBondContact O-N 3.32Å; E304-A306 PolarHBondContact O-N 3.22Å; E304-E307 PolarHBondContact O-N 3.36Å; E304-T308 WeakPolarHBondContact O-CG2 3.38Å; E304-T308 PolarHBondContact O-N 3.2Å |
| 305 | E | 98.2 | Very high | 98 | Very high | 82 Ų | 82 | 92.7 Ų | 92.7 | 38% | 0.383 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.4 | -46.3 | 175.9 | -172.9 | 159.3 | -165.2 | 0 | 0 | 111.8 | Y301 V303 E307 T308 E309 | Y301-E305 WeakPolarHBondContact CE1-OE2 3.5Å; Y301-E305 PolarHBondContact O-N 2.9Å; V303-E305 VanDerWaalsContact C-N 3.35Å; V303-E305 PolarHBondContact O-N 3.48Å; E305-E307 VanDerWaalsContact C-N 3.33Å; E305-E307 PolarHBondContact O-N 2.9Å; E305-T308 PolarHBondContact O-N 3.5Å; E305-T308 PolarHBondContact O-OG1 2.87Å; E305-E309 PolarHBondContact O-N 3.41Å |
| 306 | A | 98.4 | Very high | 98 | Very high | 53 Ų | 53 | 93.6 Ų | 93.6 | 44% | 0.438 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.3 | -35.5 | 176 | 0 | 0 | 0 | 0 | 0 | 113.3 | L302 V303 E304 E309 A310 | L302-A306 WeakPolarHBondContact O-CB 3.36Å; L302-A306 PolarHBondContact O-N 2.85Å; V303-A306 PolarHBondContact O-N 2.96Å; E304-A306 PolarHBondContact O-N 3.22Å; A306-E309 PolarHBondContact O-N 3.35Å; A306-A310 WeakPolarHBondContact O-CB 3.35Å; A306-A310 PolarHBondContact O-N 2.85Å |
| 307 | E | 98.3 | Very high | 98 | Very high | 122 Ų | 122 | 93.8 Ų | 93.8 | 57% | 0.57 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65 | -43.8 | 173.3 | -74.4 | 177.5 | 169.6 | 0 | 0 | 110.8 | V303 E304 E305 E309 A310 E311 | V303-E307 HydrophobicContact CG1-CG 4.43Å; V303-E307 WeakPolarHBondContact O-CG 3.34Å; V303-E307 PolarHBondContact O-N 3.48Å; E304-E307 PolarHBondContact O-N 3.36Å; E305-E307 VanDerWaalsContact C-N 3.33Å; E305-E307 PolarHBondContact O-N 2.9Å; E307-E309 PolarHBondContact O-N 2.98Å; E307-A310 PolarHBondContact O-N 3.48Å; E307-E311 WeakPolarHBondContact O-CG 3.4Å; E307-E311 PolarHBondContact O-N 3.07Å |
| 308 | T | 98.1 | Very high | 98 | Very high | 70 Ų | 70 | 96.9 Ų | 96.9 | 43% | 0.429 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.8 | -39.7 | 175.3 | 66.8 | 0 | 0 | 0 | 0 | 112.7 | E304 E305 E311 V312 | E304-T308 WeakPolarHBondContact O-CG2 3.38Å; E304-T308 PolarHBondContact O-N 3.2Å; E305-T308 PolarHBondContact O-N 3.5Å; E305-T308 PolarHBondContact O-OG1 2.87Å; T308-E311 PolarHBondContact O-N 3.38Å; T308-V312 WeakPolarHBondContact O-CG2 3.46Å; T308-V312 PolarHBondContact O-N 2.9Å; T308-V312 VanDerWaalsContact O-N 3.08Å |
| 309 | E | 98.3 | Very high | 98 | Very high | 116 Ų | 116 | 96.1 Ų | 96.1 | 54% | 0.542 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.8 | -41.4 | 174.6 | -71.8 | -174.1 | 171.7 | 0 | 0 | 111.6 | E305 A306 E307 E311 V312 L313 | E305-E309 PolarHBondContact O-N 3.41Å; A306-E309 PolarHBondContact O-N 3.35Å; E307-E309 PolarHBondContact O-N 2.98Å; E309-E311 VanDerWaalsContact C-N 3.33Å; E309-E311 PolarHBondContact O-N 2.95Å; E309-V312 PolarHBondContact O-N 2.86Å; E309-L313 WeakPolarHBondContact O-CG 3.47Å; E309-L313 PolarHBondContact O-N 2.94Å |
| 310 | A | 97.9 | Very high | 98 | Very high | 59 Ų | 59 | 96.4 Ų | 96.4 | 49% | 0.488 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.2 | -38 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A306 E307 L313 G314 | A306-A310 WeakPolarHBondContact O-CB 3.35Å; A306-A310 PolarHBondContact O-N 2.85Å; E307-A310 PolarHBondContact O-N 3.48Å; A310-L313 PolarHBondContact O-N 3.3Å; A310-G314 PolarHBondContact O-N 3.1Å |
| 311 | E | 97.8 | Very high | 98 | Very high | 141 Ų | 141 | 96 Ų | 96 | 66% | 0.659 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.3 | -41.9 | 173.4 | -72.7 | -176.6 | 176.2 | 0 | 0 | 112.3 | E307 T308 E309 G314 S315 | E307-E311 WeakPolarHBondContact O-CG 3.4Å; E307-E311 PolarHBondContact O-N 3.07Å; T308-E311 PolarHBondContact O-N 3.38Å; E309-E311 VanDerWaalsContact C-N 3.33Å; E309-E311 PolarHBondContact O-N 2.95Å; E311-G314 PolarHBondContact O-N 3.4Å; E311-S315 WeakPolarHBondContact O-CB 3.47Å; E311-S315 PolarHBondContact O-N 2.85Å; E311-S315 PolarHBondContact O-OG 3.17Å |
| 312 | V | 98 | Very high | 98 | Very high | 99 Ų | 99 | 94.1 Ų | 94.1 | 60% | 0.6 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65 | -46.6 | 176.7 | 172.8 | 0 | 0 | 0 | 0 | 111 | T308 E309 G314 S315 S316 | T308-V312 WeakPolarHBondContact O-CG2 3.46Å; T308-V312 PolarHBondContact O-N 2.9Å; T308-V312 VanDerWaalsContact O-N 3.08Å; E309-V312 PolarHBondContact O-N 2.86Å; V312-G314 VanDerWaalsContact C-N 3.34Å; V312-G314 PolarHBondContact O-N 3.44Å; V312-S315 PolarHBondContact O-N 3.22Å; V312-S316 WeakPolarHBondContact O-CB 3.25Å; V312-S316 PolarHBondContact O-N 3.4Å |
| 313 | L | 98.1 | Very high | 97.9 | Very high | 120 Ų | 120 | 96.3 Ų | 96.3 | 63% | 0.628 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.1 | -40.6 | 177 | -69.9 | 174.4 | 0 | 0 | 0 | 111.7 | E309 A310 S316 L317 | E309-L313 WeakPolarHBondContact O-CG 3.47Å; E309-L313 PolarHBondContact O-N 2.94Å; A310-L313 PolarHBondContact O-N 3.3Å; L313-S316 PolarHBondContact O-N 3.45Å; L313-L317 WeakPolarHBondContact O-CB 3.44Å; L313-L317 PolarHBondContact O-N 3.5Å |
| 314 | G | 98 | Very high | 97.9 | Very high | 40 Ų | 40 | 97.5 Ų | 97.5 | 41% | 0.412 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.4 | -43.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A310 E311 V312 L317 M318 | A310-G314 PolarHBondContact O-N 3.1Å; E311-G314 PolarHBondContact O-N 3.4Å; V312-G314 VanDerWaalsContact C-N 3.34Å; V312-G314 PolarHBondContact O-N 3.44Å; G314-L317 PolarHBondContact O-N 3.4Å; G314-M318 PolarHBondContact O-N 3.47Å; G314-M318 VanDerWaalsContact O-N 3.1Å |
| 315 | S | 98 | Very high | 97.9 | Very high | 70 Ų | 70 | 97.6 Ų | 97.6 | 49% | 0.49 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.8 | -41.9 | 176.1 | -59.7 | 0 | 0 | 0 | 0 | 112.2 | E311 V312 M318 M319 | E311-S315 WeakPolarHBondContact O-CB 3.47Å; E311-S315 PolarHBondContact O-N 2.85Å; E311-S315 PolarHBondContact O-OG 3.17Å; V312-S315 PolarHBondContact O-N 3.22Å; S315-M318 PolarHBondContact O-N 2.91Å; S315-M319 WeakPolarHBondContact O-CG 3.4Å; S315-M319 PolarHBondContact O-N 3.19Å; S315-M319 VanDerWaalsContact O-N 3.08Å |
| 316 | S | 98.3 | Very high | 97.8 | Very high | 74 Ų | 74 | 98.4 Ų | 98.4 | 52% | 0.517 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.4 | -43.1 | 176 | -175.6 | 0 | 0 | 0 | 0 | 112.1 | V312 L313 M318 M319 L320 | V312-S316 WeakPolarHBondContact O-CB 3.25Å; V312-S316 PolarHBondContact O-N 3.4Å; L313-S316 PolarHBondContact O-N 3.45Å; S316-M318 PolarHBondContact O-N 2.98Å; S316-M319 PolarHBondContact O-N 2.85Å; S316-L320 WeakPolarHBondContact O-CB 3.4Å; S316-L320 PolarHBondContact O-N 3.2Å |
| 317 | L | 97.9 | Very high | 97.7 | Very high | 99 Ų | 99 | 100 Ų | 100 | 52% | 0.518 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.8 | -45.7 | 176.1 | 178.3 | 61.9 | 0 | 0 | 0 | 111.4 | L313 G314 M319 L320 Q321 | L313-L317 WeakPolarHBondContact O-CB 3.44Å; L313-L317 PolarHBondContact O-N 3.5Å; G314-L317 PolarHBondContact O-N 3.4Å; L317-M319 PolarHBondContact O-N 3.12Å; L317-L320 PolarHBondContact O-N 3.38Å; L317-Q321 HydrophobicContact CD1-CG 4.32Å; L317-Q321 WeakPolarHBondContact O-CB 3.14Å; L317-Q321 VanDerWaalsContact O-CG 3.28Å; L317-Q321 WeakPolarHBondContact O-CG 3.3Å; L317-Q321 PolarHBondContact O-N 3.31Å |
| 318 | M | 97.7 | Very high | 97.6 | Very high | 121 Ų | 121 | 98.9 Ų | 98.9 | 60% | 0.596 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.5 | -44 | 177.8 | -175.6 | 175 | 68.4 | 0 | 0 | 111.9 | G314 S315 S316 L320 Q321 Q322 | G314-M318 PolarHBondContact O-N 3.47Å; G314-M318 VanDerWaalsContact O-N 3.1Å; S315-M318 PolarHBondContact O-N 2.91Å; S316-M318 PolarHBondContact O-N 2.98Å; M318-L320 VanDerWaalsContact C-N 3.34Å; M318-L320 PolarHBondContact O-N 3.04Å; M318-Q321 PolarHBondContact O-N 3.46Å; M318-Q322 PolarHBondContact O-N 3.04Å |
| 319 | M | 97.8 | Very high | 97.5 | Very high | 88 Ų | 88 | 98.3 Ų | 98.3 | 43% | 0.433 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.6 | -42.6 | 175.4 | -78.2 | -65.9 | -59.8 | 0 | 0 | 112.2 | S315 S316 L317 Q322 R323 | S315-M319 WeakPolarHBondContact O-CG 3.4Å; S315-M319 PolarHBondContact O-N 3.19Å; S315-M319 VanDerWaalsContact O-N 3.08Å; S316-M319 PolarHBondContact O-N 2.85Å; L317-M319 PolarHBondContact O-N 3.12Å; M319-Q322 PolarHBondContact O-N 2.94Å; M319-R323 WeakPolarHBondContact O-CG 3.43Å; M319-R323 PolarHBondContact O-N 3.11Å |
| 320 | L | 97.7 | Very high | 97.3 | Very high | 111 Ų | 111 | 96.4 Ų | 96.4 | 58% | 0.581 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -68.7 | -39.4 | 178.7 | -172.3 | 59.5 | 0 | 0 | 0 | 111.7 | S316 L317 M318 R323 L324 | S316-L320 WeakPolarHBondContact O-CB 3.4Å; S316-L320 PolarHBondContact O-N 3.2Å; L317-L320 PolarHBondContact O-N 3.38Å; M318-L320 VanDerWaalsContact C-N 3.34Å; M318-L320 PolarHBondContact O-N 3.04Å; L320-R323 PolarHBondContact O-N 2.92Å; L320-L324 WeakPolarHBondContact O-CB 3.32Å; L320-L324 PolarHBondContact O-N 3.45Å |
| 321 | Q | 97.2 | Very high | 97.2 | Very high | 102 Ų | 102 | 96.1 Ų | 96.1 | 48% | 0.477 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.3 | -45.2 | 173.1 | -74.8 | 173.8 | -16.2 | 0 | 0 | 111.5 | L317 M318 R323 L324 Q325 | L317-Q321 HydrophobicContact CD1-CG 4.32Å; L317-Q321 WeakPolarHBondContact O-CB 3.14Å; L317-Q321 VanDerWaalsContact O-CG 3.28Å; L317-Q321 WeakPolarHBondContact O-CG 3.3Å; L317-Q321 PolarHBondContact O-N 3.31Å; M318-Q321 PolarHBondContact O-N 3.46Å; Q321-R323 PolarHBondContact O-N 2.79Å; Q321-L324 PolarHBondContact O-N 3.05Å; Q321-Q325 WeakPolarHBondContact O-CB 3.39Å; Q321-Q325 VanDerWaalsContact O-CG 3.32Å; Q321-Q325 WeakPolarHBondContact O-CG 3.26Å; Q321-Q325 PolarHBondContact O-N 3.45Å |
| 322 | Q | 97.5 | Very high | 97 | Very high | 102 Ų | 102 | 95.8 Ų | 95.8 | 48% | 0.477 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.5 | -43.9 | 176.1 | -174.2 | -176.2 | 1.3 | 0 | 0 | 111.7 | M318 M319 Q325 L326 | M318-Q322 PolarHBondContact O-N 3.04Å; M319-Q322 PolarHBondContact O-N 2.94Å; Q322-Q325 PolarHBondContact O-N 3.42Å; Q322-L326 HydrophobicContact CG-CD1 4.33Å; Q322-L326 WeakPolarHBondContact O-CB 3.49Å; Q322-L326 VanDerWaalsContact O-CG 3.32Å; Q322-L326 WeakPolarHBondContact O-CG 3.34Å; Q322-L326 PolarHBondContact O-N 3.33Å |
| 323 | R | 97.1 | Very high | 96.8 | Very high | 158 Ų | 158 | 97.1 Ų | 97.1 | 60% | 0.596 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.7 | -40.9 | 176.7 | -74.7 | 179.3 | 178.6 | -177.2 | 1.1 | 112.2 | M319 L320 Q321 L326 T327 | M319-R323 WeakPolarHBondContact O-CG 3.43Å; M319-R323 PolarHBondContact O-N 3.11Å; L320-R323 PolarHBondContact O-N 2.92Å; Q321-R323 PolarHBondContact O-N 2.79Å; R323-L326 PolarHBondContact O-N 2.73Å; R323-T327 WeakPolarHBondContact O-CB 3.48Å; R323-T327 PolarHBondContact O-N 3.2Å; R323-T327 PolarHBondContact O-OG1 2.63Å |
| 324 | L | 97.5 | Very high | 96.6 | Very high | 97 Ų | 97 | 96.4 Ų | 96.4 | 51% | 0.508 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.2 | -46.3 | 176.8 | -177.8 | 63.2 | 0 | 0 | 0 | 110.7 | L320 Q321 T327 Q328 | L320-L324 WeakPolarHBondContact O-CB 3.32Å; L320-L324 PolarHBondContact O-N 3.45Å; Q321-L324 PolarHBondContact O-N 3.05Å; L324-T327 PolarHBondContact O-N 3.26Å; L324-Q328 HydrophobicContact CD1-CG 4.43Å; L324-Q328 WeakPolarHBondContact O-CB 3.41Å; L324-Q328 VanDerWaalsContact O-CG 3.27Å; L324-Q328 WeakPolarHBondContact O-CG 3.46Å; L324-Q328 PolarHBondContact O-N 3.28Å |
| 325 | Q | 97.3 | Very high | 96.3 | Very high | 126 Ų | 126 | 97.2 Ų | 97.2 | 59% | 0.589 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.2 | -45.2 | 175.8 | -74.3 | 175.7 | -8.2 | 0 | 0 | 112.3 | Q321 Q322 Q328 S329 | Q321-Q325 WeakPolarHBondContact O-CB 3.39Å; Q321-Q325 VanDerWaalsContact O-CG 3.32Å; Q321-Q325 WeakPolarHBondContact O-CG 3.26Å; Q321-Q325 PolarHBondContact O-N 3.45Å; Q322-Q325 PolarHBondContact O-N 3.42Å; Q325-Q328 PolarHBondContact O-N 2.68Å; Q325-S329 WeakPolarHBondContact O-CB 3.5Å; Q325-S329 PolarHBondContact O-N 2.78Å; Q325-S329 PolarHBondContact O-OG 3.1Å |
| 326 | L | 96.9 | Very high | 95.8 | Very high | 98 Ų | 98 | 96.6 Ų | 96.6 | 51% | 0.513 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60 | -48 | 175.3 | -73.2 | 172.4 | 0 | 0 | 0 | 110.9 | Q322 R323 Q328 S329 T330 | Q322-L326 HydrophobicContact CG-CD1 4.33Å; Q322-L326 WeakPolarHBondContact O-CB 3.49Å; Q322-L326 VanDerWaalsContact O-CG 3.32Å; Q322-L326 WeakPolarHBondContact O-CG 3.34Å; Q322-L326 PolarHBondContact O-N 3.33Å; R323-L326 PolarHBondContact O-N 2.73Å; L326-Q328 PolarHBondContact O-N 3.1Å; L326-S329 PolarHBondContact O-N 3.08Å; L326-S329 PolarHBondContact O-OG 3.47Å; L326-T330 WeakPolarHBondContact O-CG2 3.04Å; L326-T330 PolarHBondContact O-N 3.48Å; L326-T330 PolarHBondContact O-OG1 3.32Å |
| 327 | T | 95.9 | Very high | 95.3 | Very high | 87 Ų | 87 | 96.1 Ų | 96.1 | 53% | 0.534 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61 | -44.4 | 179 | -54.4 | 0 | 0 | 0 | 0 | 111.5 | R323 L324 T330 A331 | R323-T327 WeakPolarHBondContact O-CB 3.48Å; R323-T327 PolarHBondContact O-N 3.2Å; R323-T327 PolarHBondContact O-OG1 2.63Å; L324-T327 PolarHBondContact O-N 3.26Å; T327-T330 WeakPolarHBondContact CA-OG1 3.42Å; T327-T330 PolarHBondContact O-N 2.9Å; T327-T330 PolarHBondContact O-OG1 3.43Å; T327-A331 WeakPolarHBondContact O-CB 3.3Å; T327-A331 PolarHBondContact O-N 3.46Å |
| 328 | Q | 97.1 | Very high | 94.6 | Very high | 99 Ų | 99 | 97.2 Ų | 97.2 | 46% | 0.463 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.9 | -48.5 | 175.3 | -76 | 174.2 | -12.3 | 0 | 0 | 111.2 | L324 Q325 L326 T330 A331 E332 | L324-Q328 HydrophobicContact CD1-CG 4.43Å; L324-Q328 WeakPolarHBondContact O-CB 3.41Å; L324-Q328 VanDerWaalsContact O-CG 3.27Å; L324-Q328 WeakPolarHBondContact O-CG 3.46Å; L324-Q328 PolarHBondContact O-N 3.28Å; Q325-Q328 PolarHBondContact O-N 2.68Å; L326-Q328 PolarHBondContact O-N 3.1Å; Q328-T330 VanDerWaalsContact C-N 3.33Å; Q328-T330 PolarHBondContact O-N 3.33Å; Q328-A331 PolarHBondContact O-N 3.5Å; Q328-A331 VanDerWaalsContact O-N 3.16Å; Q328-E332 WeakPolarHBondContact O-CG 3.4Å; Q328-E332 PolarHBondContact O-N 3.18Å |
| 329 | S | 95.3 | Very high | 93.9 | Very high | 57 Ų | 57 | 98.1 Ų | 98.1 | 40% | 0.399 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62 | -37.8 | 177.5 | 70.9 | 0 | 0 | 0 | 0 | 113 | Q325 L326 F333 | Q325-S329 WeakPolarHBondContact O-CB 3.5Å; Q325-S329 PolarHBondContact O-N 2.78Å; Q325-S329 PolarHBondContact O-OG 3.1Å; L326-S329 PolarHBondContact O-N 3.08Å; L326-S329 PolarHBondContact O-OG 3.47Å; S329-F333 WeakPolarHBondContact O-CB 3.49Å; S329-F333 PolarHBondContact O-N 2.98Å |
| 330 | T | 95.2 | Very high | 93 | Very high | 76 Ų | 76 | 100.1 Ų | 100.1 | 47% | 0.466 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69.3 | -37.5 | 175.2 | 58.4 | 0 | 0 | 0 | 0 | 112.2 | L326 T327 Q328 F333 L334 | L326-T330 WeakPolarHBondContact O-CG2 3.04Å; L326-T330 PolarHBondContact O-N 3.48Å; L326-T330 PolarHBondContact O-OG1 3.32Å; T327-T330 WeakPolarHBondContact CA-OG1 3.42Å; T327-T330 PolarHBondContact O-N 2.9Å; T327-T330 PolarHBondContact O-OG1 3.43Å; Q328-T330 VanDerWaalsContact C-N 3.33Å; Q328-T330 PolarHBondContact O-N 3.33Å; T330-F333 PolarHBondContact O-N 3.26Å; T330-L334 WeakPolarHBondContact O-CB 3.26Å; T330-L334 VanDerWaalsContact O-CG 3.29Å; T330-L334 WeakPolarHBondContact O-CG 3.2Å; T330-L334 PolarHBondContact O-N 3.49Å |
| 331 | A | 94.6 | Very high | 91.7 | Very high | 54 Ų | 54 | 98.7 Ų | 98.7 | 45% | 0.446 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.8 | -42.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | T327 Q328 L334 A335 | T327-A331 WeakPolarHBondContact O-CB 3.3Å; T327-A331 PolarHBondContact O-N 3.46Å; Q328-A331 PolarHBondContact O-N 3.5Å; Q328-A331 VanDerWaalsContact O-N 3.16Å; A331-L334 PolarHBondContact O-N 3.33Å; A331-A335 VanDerWaalsContact O-CB 3.26Å; A331-A335 WeakPolarHBondContact O-CB 3.23Å; A331-A335 PolarHBondContact O-N 2.81Å |
| 332 | E | 94.3 | Very high | 90.1 | Very high | 133 Ų | 133 | 99.6 Ų | 99.6 | 62% | 0.621 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.4 | -41.6 | 174.1 | -73.1 | 174.8 | -176.2 | 0 | 0 | 111.9 | Q328 S336 | Q328-E332 WeakPolarHBondContact O-CG 3.4Å; Q328-E332 PolarHBondContact O-N 3.18Å; E332-S336 WeakPolarHBondContact O-CB 3.31Å; E332-S336 PolarHBondContact O-N 2.74Å; E332-S336 PolarHBondContact O-OG 2.86Å |
| 333 | F | 93.8 | Very high | 88.4 | Confident | 128 Ų | 128 | 98.6 Ų | 98.6 | 56% | 0.561 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.5 | -49.8 | 174.4 | 175.7 | -97.1 | 0 | 0 | 0 | 111.8 | S329 T330 S336 E337 | S329-F333 WeakPolarHBondContact O-CB 3.49Å; S329-F333 PolarHBondContact O-N 2.98Å; T330-F333 PolarHBondContact O-N 3.26Å; F333-S336 WeakPolarHBondContact O-CB 3.42Å; F333-S336 PolarHBondContact O-N 3.24Å; F333-E337 HydrophobicContact CE1-CG 4.02Å; F333-E337 HydrophobicContact CE2-CG 4.38Å; F333-E337 HydrophobicContact CZ-CG 3.95Å; F333-E337 PolarHBondContact O-N 2.89Å |
| 334 | L | 92.9 | Very high | 86.6 | Confident | 104 Ų | 104 | 94.4 Ų | 94.4 | 55% | 0.545 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.8 | -39.9 | 178.7 | -70.6 | 173.1 | 0 | 0 | 0 | 112.2 | T330 A331 S336 E337 L338 | T330-L334 WeakPolarHBondContact O-CB 3.26Å; T330-L334 VanDerWaalsContact O-CG 3.29Å; T330-L334 WeakPolarHBondContact O-CG 3.2Å; T330-L334 PolarHBondContact O-N 3.49Å; A331-L334 PolarHBondContact O-N 3.33Å; L334-S336 VanDerWaalsContact C-N 3.28Å; L334-S336 PolarHBondContact O-N 3.22Å; L334-E337 PolarHBondContact O-N 3.41Å; L334-L338 WeakPolarHBondContact O-CB 2.94Å; L334-L338 WeakPolarHBondContact O-CG 3.45Å; L334-L338 PolarHBondContact O-N 3.42Å |
| 335 | A | 91.4 | Very high | 84.8 | Confident | 57 Ų | 57 | 93.9 Ų | 93.9 | 47% | 0.471 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.2 | -39.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | A331 L338 Q339 | A331-A335 VanDerWaalsContact O-CB 3.26Å; A331-A335 WeakPolarHBondContact O-CB 3.23Å; A331-A335 PolarHBondContact O-N 2.81Å; A335-L338 PolarHBondContact O-N 3.41Å; A335-Q339 PolarHBondContact O-N 3.48Å |
| 336 | S | 89.1 | Confident | 82.9 | Confident | 57 Ų | 57 | 91.2 Ų | 91.2 | 40% | 0.399 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68 | -38.9 | 175.8 | -57.5 | 0 | 0 | 0 | 0 | 112.5 | E332 F333 L334 Q339 K340 | E332-S336 WeakPolarHBondContact O-CB 3.31Å; E332-S336 PolarHBondContact O-N 2.74Å; E332-S336 PolarHBondContact O-OG 2.86Å; F333-S336 WeakPolarHBondContact O-CB 3.42Å; F333-S336 PolarHBondContact O-N 3.24Å; L334-S336 VanDerWaalsContact C-N 3.28Å; L334-S336 PolarHBondContact O-N 3.22Å; S336-Q339 PolarHBondContact O-N 2.94Å; S336-K340 WeakPolarHBondContact O-CG 3.33Å; S336-K340 PolarHBondContact O-N 3.43Å |
| 337 | E | 87.4 | Confident | 80.9 | Confident | 65 Ų | 65 | 88.9 Ų | 88.9 | 30% | 0.304 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.7 | -40.8 | 174.4 | -73.8 | -59.9 | 120 | 0 | 0 | 112 | F333 L334 Q339 K340 L341 | F333-E337 HydrophobicContact CE1-CG 4.02Å; F333-E337 HydrophobicContact CE2-CG 4.38Å; F333-E337 HydrophobicContact CZ-CG 3.95Å; F333-E337 PolarHBondContact O-N 2.89Å; L334-E337 PolarHBondContact O-N 3.41Å; E337-Q339 VanDerWaalsContact C-N 3.32Å; E337-Q339 PolarHBondContact O-N 2.79Å; E337-K340 WeakPolarHBondContact O-CB 3.46Å; E337-K340 PolarHBondContact O-N 3.05Å; E337-K340 VanDerWaalsContact O-N 3.13Å; E337-K340 IonicContact OE1-NZ 3.32Å; E337-K340 PolarHBondContact OE1-NZ 2.86Å; E337-L341 WeakPolarHBondContact O-CD1 3.45Å; E337-L341 PolarHBondContact O-N 2.83Å |
| 338 | L | 83.7 | Confident | 78.9 | Confident | 121 Ų | 121 | 91 Ų | 91 | 63% | 0.634 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -59.9 | -42.3 | 173.8 | -73.9 | 176.4 | 0 | 0 | 0 | 111.8 | L334 A335 K340 L341 E342 | L334-L338 WeakPolarHBondContact O-CB 2.94Å; L334-L338 WeakPolarHBondContact O-CG 3.45Å; L334-L338 PolarHBondContact O-N 3.42Å; A335-L338 PolarHBondContact O-N 3.41Å; L338-K340 VanDerWaalsContact C-N 3.26Å; L338-K340 PolarHBondContact O-N 2.86Å; L338-L341 PolarHBondContact O-N 3.21Å; L338-L341 VanDerWaalsContact O-N 3.15Å; L338-E342 WeakPolarHBondContact O-CB 3.45Å; L338-E342 PolarHBondContact O-N 2.97Å |
| 339 | Q | 81.1 | Confident | 77 | Confident | 141 Ų | 141 | 91.8 Ų | 91.8 | 66% | 0.659 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.2 | -30.9 | 176.2 | -169 | 178.7 | 32.1 | 0 | 0 | 112.8 | A335 S336 E337 P343 | A335-Q339 PolarHBondContact O-N 3.48Å; S336-Q339 PolarHBondContact O-N 2.94Å; E337-Q339 VanDerWaalsContact C-N 3.32Å; E337-Q339 PolarHBondContact O-N 2.79Å; Q339-P343 WeakPolarHBondContact O-CD 3.12Å |
| 340 | K | 79.2 | Confident | 75 | Confident | 130 Ų | 130 | 93.8 Ų | 93.8 | 57% | 0.565 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -75.3 | -31.2 | 174.5 | -67.9 | 171.6 | -168.5 | 170.1 | 0 | 112.9 | S336 E337 L338 P343 | S336-K340 WeakPolarHBondContact O-CG 3.33Å; S336-K340 PolarHBondContact O-N 3.43Å; E337-K340 WeakPolarHBondContact O-CB 3.46Å; E337-K340 PolarHBondContact O-N 3.05Å; E337-K340 VanDerWaalsContact O-N 3.13Å; E337-K340 IonicContact OE1-NZ 3.32Å; E337-K340 PolarHBondContact OE1-NZ 2.86Å; L338-K340 VanDerWaalsContact C-N 3.26Å; L338-K340 PolarHBondContact O-N 2.86Å; K340-P343 WeakPolarHBondContact O-CD 3.13Å; K340-P343 WeakPolarHBondContact O-CG 3.36Å |
| 341 | L | 71.1 | Confident | 72.9 | Confident | 80 Ų | 80 | 96.9 Ų | 96.9 | 42% | 0.419 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -83.4 | -26.3 | 178.8 | -80.5 | 150.2 | 0 | 0 | 0 | 112.9 | E337 L338 V344 I345 | E337-L341 WeakPolarHBondContact O-CD1 3.45Å; E337-L341 PolarHBondContact O-N 2.83Å; L338-L341 PolarHBondContact O-N 3.21Å; L338-L341 VanDerWaalsContact O-N 3.15Å; L341-V344 WeakPolarHBondContact O-CA 3.33Å; L341-V344 WeakPolarHBondContact O-CB 3.38Å; L341-V344 PolarHBondContact O-N 2.77Å; L341-I345 PolarHBondContact O-N 3.44Å |
| 342 | E | 63.2 | Low | 70.7 | Confident | 121 Ų | 121 | 98.6 Ų | 98.6 | 57% | 0.565 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -51.8 | -44.1 | 176.4 | -167.2 | 173.6 | -175.2 | 0 | 0 | 113.9 | L338 V344 C346 | L338-E342 WeakPolarHBondContact O-CB 3.45Å; L338-E342 PolarHBondContact O-N 2.97Å; E342-V344 VanDerWaalsContact C-N 3.31Å; E342-V344 PolarHBondContact O-N 3.32Å; E342-C346 VanDerWaalsContact O-CB 3.27Å; E342-C346 WeakPolarHBondContact O-CB 3.41Å; E342-C346 PolarHBondContact O-N 3.48Å; E342-C346 PolarHBondContact O-SG 3.37Å |
| 343 | P | 61.3 | Low | 67.9 | Low | 81 Ų | 81 | 96.4 Ų | 96.4 | 53% | 0.526 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -71.8 | -20.8 | 174.8 | 27.8 | -36 | 0 | 0 | 0 | 114 | Q339 K340 A347 | Q339-P343 WeakPolarHBondContact O-CD 3.12Å; K340-P343 WeakPolarHBondContact O-CD 3.13Å; K340-P343 WeakPolarHBondContact O-CG 3.36Å; P343-A347 WeakPolarHBondContact O-CB 3.42Å; P343-A347 PolarHBondContact O-N 2.86Å |
| 344 | V | 60.7 | Low | 65.2 | Low | 71 Ų | 71 | 93.3 Ų | 93.3 | 43% | 0.43 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -77.6 | -43.9 | 176.2 | -178.2 | 0 | 0 | 0 | 0 | 109.9 | L341 E342 A347 E348 | L341-V344 WeakPolarHBondContact O-CA 3.33Å; L341-V344 WeakPolarHBondContact O-CB 3.38Å; L341-V344 PolarHBondContact O-N 2.77Å; E342-V344 VanDerWaalsContact C-N 3.31Å; E342-V344 PolarHBondContact O-N 3.32Å; V344-A347 PolarHBondContact O-N 2.75Å; V344-E348 WeakPolarHBondContact O-CB 3.36Å; V344-E348 WeakPolarHBondContact O-CG 3.41Å; V344-E348 PolarHBondContact O-N 2.91Å |
| 345 | I | 58.4 | Low | 62.7 | Low | 85 Ų | 85 | 95.7 Ų | 95.7 | 44% | 0.436 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -70.5 | -40.9 | 178.6 | -62 | 169.3 | 0 | 0 | 0 | 110.6 | L341 A347 E348 I349 | L341-I345 PolarHBondContact O-N 3.44Å; I345-A347 VanDerWaalsContact C-N 3.27Å; I345-A347 PolarHBondContact O-N 3.05Å; I345-E348 PolarHBondContact O-N 2.83Å; I345-I349 HydrophobicContact CG2-CD1 3.49Å; I345-I349 VanDerWaalsContact CG2-CD1 3.49Å; I345-I349 HydrophobicContact CG2-CG1 4.16Å; I345-I349 WeakPolarHBondContact O-CB 3.38Å; I345-I349 WeakPolarHBondContact O-CG1 3.45Å; I345-I349 PolarHBondContact O-N 2.84Å |
| 346 | C | 57.1 | Low | 60.8 | Low | 70 Ų | 70 | 99.7 Ų | 99.7 | 47% | 0.473 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -65 | -30.5 | 174 | -72.2 | 0 | 0 | 0 | 0 | 112.6 | E342 S350 | E342-C346 VanDerWaalsContact O-CB 3.27Å; E342-C346 WeakPolarHBondContact O-CB 3.41Å; E342-C346 PolarHBondContact O-N 3.48Å; E342-C346 PolarHBondContact O-SG 3.37Å; C346-S350 VanDerWaalsContact O-CB 3.3Å; C346-S350 WeakPolarHBondContact O-CB 3.38Å; C346-S350 PolarHBondContact O-N 2.99Å; C346-S350 PolarHBondContact O-OG 3.37Å |
| 347 | A | 56.8 | Low | 58.4 | Low | 49 Ų | 49 | 105.1 Ų | 105.1 | 41% | 0.405 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -78.4 | -30.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113 | P343 V344 I345 N351 | P343-A347 WeakPolarHBondContact O-CB 3.42Å; P343-A347 PolarHBondContact O-N 2.86Å; V344-A347 PolarHBondContact O-N 2.75Å; I345-A347 VanDerWaalsContact C-N 3.27Å; I345-A347 PolarHBondContact O-N 3.05Å; A347-N351 PolarHBondContact O-ND2 3.02Å |
| 348 | E | 53.2 | Low | 56.4 | Low | 131 Ų | 131 | 106.2 Ų | 106.2 | 61% | 0.612 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -76.7 | -39.4 | 175.6 | -76.9 | 178.2 | 170 | 0 | 0 | 111.9 | V344 I345 S350 N351 S352 | V344-E348 WeakPolarHBondContact O-CB 3.36Å; V344-E348 WeakPolarHBondContact O-CG 3.41Å; V344-E348 PolarHBondContact O-N 2.91Å; I345-E348 PolarHBondContact O-N 2.83Å; E348-S350 VanDerWaalsContact C-N 3.32Å; E348-S350 PolarHBondContact O-N 2.77Å; E348-N351 PolarHBondContact O-N 3.32Å; E348-S352 PolarHBondContact O-N 3.24Å |
| 349 | I | 56.1 | Low | 54.5 | Low | 117 Ų | 117 | 109.4 Ų | 109.4 | 60% | 0.6 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -68.7 | -31.6 | 175.7 | -63.4 | 169.1 | 0 | 0 | 0 | 111.4 | I345 N351 | I345-I349 HydrophobicContact CG2-CD1 3.49Å; I345-I349 VanDerWaalsContact CG2-CD1 3.49Å; I345-I349 HydrophobicContact CG2-CG1 4.16Å; I345-I349 WeakPolarHBondContact O-CB 3.38Å; I345-I349 WeakPolarHBondContact O-CG1 3.45Å; I345-I349 PolarHBondContact O-N 2.84Å; I349-N351 VanDerWaalsContact C-N 3.26Å; I349-N351 PolarHBondContact O-N 3.03Å |
| 350 | S | 54.4 | Low | 52.6 | Low | 98 Ų | 98 | 110.5 Ų | 110.5 | 69% | 0.685 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | -8.6 | 176.9 | -55.7 | 0 | 0 | 0 | 0 | 113.9 | C346 E348 | C346-S350 VanDerWaalsContact O-CB 3.3Å; C346-S350 WeakPolarHBondContact O-CB 3.38Å; C346-S350 PolarHBondContact O-N 2.99Å; C346-S350 PolarHBondContact O-OG 3.37Å; E348-S350 VanDerWaalsContact C-N 3.32Å; E348-S350 PolarHBondContact O-N 2.77Å |
| 351 | N | 50.9 | Low | 50.6 | Low | 142 Ų | 142 | 110.5 Ų | 110.5 | 76% | 0.759 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.1 | 2.9 | -178 | -76.8 | -49.4 | 0 | 0 | 0 | 114.4 | A347 E348 I349 | A347-N351 PolarHBondContact O-ND2 3.02Å; E348-N351 PolarHBondContact O-N 3.32Å; I349-N351 VanDerWaalsContact C-N 3.26Å; I349-N351 PolarHBondContact O-N 3.03Å |
| 352 | S | 48.2 | Very low | 48.9 | Very low | 90 Ų | 90 | 114.2 Ų | 114.2 | 63% | 0.629 | 68% | 0.681 | S | S | * | * | trans | -120 | 75.8 | 166.9 | 64.7 | 0 | 0 | 0 | 0 | 110 | E348 | E348-S352 PolarHBondContact O-N 3.24Š| ||
| 353 | G | 35.4 | Very low | 47.5 | Very low | 86 Ų | 86 | 116 Ų | 116 | 89% | 0.887 | 69% | 0.694 | S | S | * | * | trans | -70.9 | 125.6 | 163.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 354 | G | 38.2 | Very low | 46.2 | Very low | 63 Ų | 63 | 120.1 Ų | 120.1 | 65% | 0.649 | 71% | 0.705 | S | S | * | * | trans | 149.6 | 98 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 355 | D | 38.8 | Very low | 45 | Very low | 155 Ų | 155 | 125.3 Ų | 125.3 | 83% | 0.829 | 73% | 0.725 | S | S | * | * | trans | 40.5 | 112.3 | 147.6 | -59.7 | -21.7 | 0 | 0 | 0 | 118.5 | ||||
| 356 | T | 51.6 | Low | 43.9 | Very low | 141 Ų | 141 | 129.5 Ų | 129.5 | 87% | 0.865 | 74% | 0.743 | S | S | * | * | -178.3 | 117.4 | 123.3 | 27.4 | 0 | 0 | 0 | 0 | 111 | A358 | T356-A358 PolarHBondContact O-N 2.91Š| |||
| 357 | D | 39.2 | Very low | 43.1 | Very low | 170 Ų | 170 | 131.9 Ų | 131.9 | 91% | 0.909 | 76% | 0.755 | S | S | * | * | trans | -57.7 | 114.8 | 159.9 | -64.8 | -56.5 | 0 | 0 | 0 | 109.9 | ||||
| 358 | A | 45.1 | Very low | 42.2 | Very low | 88 Ų | 88 | 137.4 Ų | 137.4 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | trans | 160.3 | 134.8 | 142.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | T356 | T356-A358 PolarHBondContact O-N 2.91Š| ||
| 359 | K | 44.4 | Very low | 41.6 | Very low | 189 Ų | 189 | 139.6 Ų | 139.6 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | trans | 83.4 | 103 | 159.4 | -67.2 | 170.8 | 177.7 | 170.6 | 0 | 118.9 | ||||
| 360 | N | 40.4 | Very low | 40.8 | Very low | 163 Ų | 163 | 140.6 Ų | 140.6 | 87% | 0.872 | 79% | 0.787 | S | S | * | * | trans | -167 | 81.9 | 131 | -95.6 | -18.2 | 0 | 0 | 0 | 106 | ||||
| 361 | V | 38.9 | Very low | 39.8 | Very low | 130 Ų | 130 | 142.9 Ų | 142.9 | 79% | 0.788 | 79% | 0.792 | S | S | * | * | 26.4 | 105.5 | 88.3 | -173 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 362 | L | 34.4 | Very low | 39.4 | Very low | 159 Ų | 159 | 142 Ų | 142 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | trans | 84.7 | 63.6 | 156.9 | -149 | 79 | 0 | 0 | 0 | 118.2 | ||||
| 363 | L | 34.6 | Very low | 38.8 | Very low | 159 Ų | 159 | 143.6 Ų | 143.6 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | trans | -131.4 | 142.6 | 139.6 | -68.7 | 176.1 | 0 | 0 | 0 | 107 | ||||
| 364 | H | 33 | Very low | 38.7 | Very low | 166 Ų | 166 | 144.6 Ų | 144.6 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | trans | 96.3 | 87.3 | -173.6 | -57.9 | -72.9 | 0 | 0 | 0 | 116.4 | ||||
| 365 | E | 37 | Very low | 38.7 | Very low | 180 Ų | 180 | 148.1 Ų | 148.1 | 84% | 0.841 | 80% | 0.8 | S | S | * | * | -127.3 | 87.3 | 129 | -108.6 | -163.8 | 156.8 | 0 | 0 | 108.1 | |||||
| 366 | E | 35.3 | Very low | 38.5 | Very low | 173 Ų | 173 | 146 Ų | 146 | 81% | 0.808 | 80% | 0.797 | S | S | * | * | trans | -79.3 | 108.2 | 152.2 | -83.5 | -179.2 | 133.5 | 0 | 0 | 106.7 | ||||
| 367 | T | 39.8 | Very low | 38 | Very low | 121 Ų | 121 | 145.6 Ų | 145.6 | 74% | 0.742 | 80% | 0.796 | S | S | * | * | trans | -116.6 | 100.1 | 155.6 | 36.7 | 0 | 0 | 0 | 0 | 109.3 | L369 | T367-L369 PolarHBondContact O-N 3.25Š| ||
| 368 | K | 37.3 | Very low | 37.7 | Very low | 165 Ų | 165 | 140.9 Ų | 140.9 | 72% | 0.717 | 79% | 0.788 | S | S | * | * | trans | -50.9 | 119.9 | 167.8 | -162.8 | -179.4 | -170.3 | -141.5 | 0 | 111 | E370 | K368-E370 WeakPolarHBondContact CE-OE1 3.27Å; K368-E370 HydrophobicContact CG-CG 4.29Å; K368-E370 IonicContact NZ-OE1 2.7Å; K368-E370 PolarHBondContact NZ-OE1 2.82Å | ||
| 369 | L | 40.6 | Very low | 37.2 | Very low | 176 Ų | 176 | 147.6 Ų | 147.6 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | trans | -136.6 | 110.7 | 154.6 | -105.3 | 144.3 | 0 | 0 | 0 | 107.5 | T367 | T367-L369 PolarHBondContact O-N 3.25Š| ||
| 370 | E | 39.6 | Very low | 36.8 | Very low | 139 Ų | 139 | 144.9 Ų | 144.9 | 65% | 0.65 | 79% | 0.789 | S | S | * | * | trans | -75.6 | 152.9 | -173.1 | -65.3 | -177.3 | 169.4 | 0 | 0 | 112.3 | K368 | K368-E370 WeakPolarHBondContact CE-OE1 3.27Å; K368-E370 HydrophobicContact CG-CG 4.29Å; K368-E370 IonicContact NZ-OE1 2.7Å; K368-E370 PolarHBondContact NZ-OE1 2.82Å | ||
| 371 | D | 33.9 | Very low | 36.6 | Very low | 146 Ų | 146 | 147.9 Ų | 147.9 | 78% | 0.781 | 79% | 0.788 | S | S | * | * | trans | 79.9 | 108.1 | 144.9 | -137.5 | 8.6 | 0 | 0 | 0 | 118.8 | ||||
| 372 | V | 41.7 | Very low | 36.1 | Very low | 124 Ų | 124 | 149.3 Ų | 149.3 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | 178.6 | 114.8 | 112.1 | 161.6 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 373 | T | 36.6 | Very low | 36.1 | Very low | 123 Ų | 123 | 146.9 Ų | 146.9 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | trans | 81.9 | 106.1 | 153.6 | -46.6 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 374 | S | 32.8 | Very low | 36.4 | Very low | 106 Ų | 106 | 148.5 Ų | 148.5 | 74% | 0.741 | 79% | 0.791 | S | S | * | * | trans | -84 | 140.6 | 168.5 | 48.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 375 | V | 38.2 | Very low | 36.3 | Very low | 138 Ų | 138 | 147.9 Ų | 147.9 | 84% | 0.836 | 79% | 0.793 | S | S | * | * | trans | -141.7 | 114.6 | 149.1 | -179.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 376 | S | 34.9 | Very low | 36.3 | Very low | 110 Ų | 110 | 146.7 Ų | 146.7 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | -80.9 | 142.7 | -178.4 | -49.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 377 | P | 39.8 | Very low | 36.3 | Very low | 132 Ų | 132 | 143.4 Ų | 143.4 | 86% | 0.857 | 79% | 0.789 | S | S | * | * | trans | -105.3 | 111.1 | 157.3 | 22.6 | -6.3 | 0 | 0 | 0 | 110.7 | ||||
| 378 | G | 33.6 | Very low | 36.1 | Very low | 72 Ų | 72 | 144.9 Ų | 144.9 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | trans | -103.1 | 122.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 379 | R | 34.1 | Very low | 36 | Very low | 228 Ų | 228 | 148.6 Ų | 148.6 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | 69.4 | 115.4 | 132.5 | -130.1 | -175.6 | -159.2 | -167 | 3.2 | 119.5 | ||||
| 380 | L | 36.2 | Very low | 35.7 | Very low | 133 Ų | 133 | 147.3 Ų | 147.3 | 70% | 0.696 | 80% | 0.796 | S | S | * | * | 158.3 | 124.5 | 102.8 | -83.9 | 169.5 | 0 | 0 | 0 | 113.9 | |||||
| 381 | R | 35.4 | Very low | 35.6 | Very low | 225 Ų | 225 | 148.7 Ų | 148.7 | 85% | 0.849 | 80% | 0.803 | S | S | * | * | trans | 59.3 | 110.3 | 138.7 | -72.2 | -164.4 | -172.3 | -123.6 | 7.8 | 122.3 | ||||
| 382 | N | 29.5 | Very low | 35.9 | Very low | 160 Ų | 160 | 149.5 Ų | 149.5 | 86% | 0.856 | 81% | 0.806 | S | S | * | * | 9 | 129.2 | 127.7 | -52.8 | 1.6 | 0 | 0 | 0 | 119.2 | |||||
| 383 | S | 33.4 | Very low | 35.8 | Very low | 109 Ų | 109 | 150.7 Ų | 150.7 | 76% | 0.762 | 81% | 0.807 | S | S | * | * | 136 | 103.7 | 107.2 | -167.9 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 384 | Q | 40.8 | Very low | 35.9 | Very low | 192 Ų | 192 | 151.5 Ų | 151.5 | 90% | 0.897 | 81% | 0.806 | S | S | * | * | -179.2 | 115.1 | 128.9 | -100.1 | 166.1 | -19.5 | 0 | 0 | 109.7 | |||||
| 385 | N | 31.9 | Very low | 36.1 | Very low | 153 Ų | 153 | 153.3 Ų | 153.3 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -72.6 | 146 | 164.9 | -61.8 | -39.8 | 0 | 0 | 0 | 109.3 | ||||
| 386 | D | 37.4 | Very low | 36.3 | Very low | 156 Ų | 156 | 152.4 Ų | 152.4 | 83% | 0.834 | 80% | 0.804 | S | S | * | * | trans | 167.8 | 100.9 | 138.1 | -83.4 | -15.5 | 0 | 0 | 0 | 107.2 | ||||
| 387 | S | 33.9 | Very low | 36.3 | Very low | 104 Ų | 104 | 150.5 Ų | 150.5 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | 65.8 | 97.2 | 87.9 | 179.2 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 388 | L | 36.8 | Very low | 36.2 | Very low | 152 Ų | 152 | 151.4 Ų | 151.4 | 80% | 0.796 | 81% | 0.805 | S | S | * | * | trans | 168.7 | 106.3 | 133.9 | -96.8 | 160.9 | 0 | 0 | 0 | 111.5 | ||||
| 389 | Y | 35.1 | Very low | 36.3 | Very low | 243 Ų | 243 | 157.1 Ų | 157.1 | 95% | 0.953 | 81% | 0.812 | S | S | * | * | trans | -128.9 | 92.6 | 152 | -91.3 | -79.2 | 0 | 0 | 0 | 106.8 | ||||
| 390 | D | 33.6 | Very low | 36.2 | Very low | 148 Ų | 148 | 153.5 Ų | 153.5 | 79% | 0.791 | 81% | 0.809 | S | S | * | * | trans | -161.1 | 153.7 | 151.1 | -143 | -7.7 | 0 | 0 | 0 | 110.6 | ||||
| 391 | E | 37 | Very low | 36 | Very low | 168 Ų | 168 | 152.9 Ų | 152.9 | 79% | 0.785 | 82% | 0.815 | S | S | * | * | trans | 75.5 | 118.3 | -171.2 | -63 | -161.1 | 146.2 | 0 | 0 | 115.5 | ||||
| 392 | L | 41.8 | Very low | 36.1 | Very low | 163 Ų | 163 | 153.1 Ų | 153.1 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | -152.4 | 140.5 | 54.9 | -75.8 | 165.1 | 0 | 0 | 0 | 113.7 | |||||
| 393 | I | 39.8 | Very low | 36.5 | Very low | 150 Ų | 150 | 154.1 Ų | 154.1 | 77% | 0.769 | 82% | 0.816 | S | S | * | * | trans | -84.9 | 143 | 179.1 | -87.8 | 169.5 | 0 | 0 | 0 | 111.2 | ||||
| 394 | L | 38.6 | Very low | 36.6 | Very low | 140 Ų | 140 | 154 Ų | 154 | 73% | 0.733 | 81% | 0.814 | S | S | * | * | trans | 49.8 | 130.8 | 154.7 | -81.9 | 94.3 | 0 | 0 | 0 | 122.3 | ||||
| 395 | D | 36.2 | Very low | 36.4 | Very low | 144 Ų | 144 | 150.4 Ų | 150.4 | 77% | 0.77 | 81% | 0.811 | S | S | * | * | -175.2 | 163.8 | 92.2 | -110.8 | -15.2 | 0 | 0 | 0 | 112.7 | |||||
| 396 | P | 42.2 | Very low | 36.6 | Very low | 118 Ų | 118 | 152.8 Ų | 152.8 | 77% | 0.766 | 82% | 0.817 | S | S | * | * | -120.2 | 167.2 | -126.6 | 36.5 | -19.9 | 0 | 0 | 0 | 115 | |||||
| 397 | G | 34.7 | Very low | 36.5 | Very low | 71 Ų | 71 | 150.5 Ų | 150.5 | 73% | 0.732 | 81% | 0.813 | S | S | * | * | trans | 154.6 | 101.2 | 160.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 398 | V | 39.2 | Very low | 36.7 | Very low | 151 Ų | 151 | 151.4 Ų | 151.4 | 92% | 0.915 | 82% | 0.817 | S | S | * | * | 166.4 | 130.6 | 127.1 | 167.6 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 399 | E | 34.3 | Very low | 36.7 | Very low | 192 Ų | 192 | 153.7 Ų | 153.7 | 90% | 0.897 | 82% | 0.82 | S | S | * | * | trans | -58 | 134.8 | -158.7 | -65.6 | 171.2 | 142.2 | 0 | 0 | 116.6 | ||||
| 400 | I | 32 | Very low | 36.5 | Very low | 152 Ų | 152 | 147.1 Ų | 147.1 | 78% | 0.779 | 81% | 0.81 | S | S | * | * | trans | -87.4 | 133 | 161.1 | -64.9 | 166 | 0 | 0 | 0 | 107.9 | R402 | I400-R402 HydrophobicContact CG2-CB 4.42Š| ||
| 401 | S | 32.7 | Very low | 36.3 | Very low | 119 Ų | 119 | 149.8 Ų | 149.8 | 83% | 0.832 | 81% | 0.81 | S | S | * | * | trans | -139.3 | 80.8 | 150.8 | -163.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 402 | R | 37.8 | Very low | 36.2 | Very low | 230 Ų | 230 | 147.9 Ų | 147.9 | 87% | 0.868 | 81% | 0.81 | S | S | * | * | trans | -104.4 | 118 | 164.1 | -73 | -176.3 | 170.1 | -176.5 | -4.2 | 107.6 | I400 | I400-R402 HydrophobicContact CG2-CB 4.42Š| ||
| 403 | Q | 38 | Very low | 35.9 | Very low | 182 Ų | 182 | 145.9 Ų | 145.9 | 85% | 0.85 | 80% | 0.801 | S | S | * | * | trans | -88.6 | 106.9 | 163.7 | -70.4 | -180 | -16.7 | 0 | 0 | 106.4 | ||||
| 404 | S | 35.3 | Very low | 35.5 | Very low | 105 Ų | 105 | 146.3 Ų | 146.3 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | 55.8 | 90.2 | 99.7 | -60.6 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 405 | S | 37 | Very low | 35.4 | Very low | 118 Ų | 118 | 145.4 Ų | 145.4 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | 69.6 | 106.7 | 86.6 | 71.8 | 0 | 0 | 0 | 0 | 114 | |||||
| 406 | E | 35.5 | Very low | 35.2 | Very low | 203 Ų | 203 | 144.3 Ų | 144.3 | 95% | 0.949 | 80% | 0.804 | S | S | * | * | trans | -144 | 133.6 | 148.7 | -151.2 | 162.3 | -160.3 | 0 | 0 | 109.7 | ||||
| 407 | S | 35.8 | Very low | 35 | Very low | 107 Ų | 107 | 146.7 Ų | 146.7 | 75% | 0.748 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -93 | 147.2 | -164.9 | -169.8 | 0 | 0 | 0 | 0 | 111.5 | ||
| 408 | P | 37.9 | Very low | 34.9 | Very low | 124 Ų | 124 | 147.6 Ų | 147.6 | 81% | 0.805 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -97.6 | 137.5 | 166.5 | 13.8 | 4 | 0 | 0 | 0 | 112.2 | ||
| 409 | K | 35.9 | Very low | 35 | Very low | 199 Ų | 199 | 147.5 Ų | 147.5 | 87% | 0.865 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -101.1 | 128.1 | 174.5 | -73.2 | 174.2 | 178.8 | 170.2 | 0 | 111.1 | ||
| 410 | S | 30.9 | Very low | 35.3 | Very low | 106 Ų | 106 | 143.8 Ų | 143.8 | 74% | 0.741 | 79% | 0.79 | S | S | * | * | trans | 29.2 | 121.3 | 141.6 | 63.7 | 0 | 0 | 0 | 0 | 123 | ||||
| 411 | Y | 30.3 | Very low | 35.5 | Very low | 204 Ų | 204 | 143.5 Ų | 143.5 | 80% | 0.8 | 79% | 0.79 | S | S | * | * | 49.5 | 120.1 | 124.1 | -116 | -90.5 | 0 | 0 | 0 | 121.1 | |||||
| 412 | T | 35.2 | Very low | 35.5 | Very low | 128 Ų | 128 | 142.5 Ų | 142.5 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | -172.9 | 119.9 | 117 | -3.9 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 413 | D | 34.8 | Very low | 35.4 | Very low | 121 Ų | 121 | 139.4 Ų | 139.4 | 65% | 0.647 | 78% | 0.783 | S | S | * | * | trans | 39.3 | 118.3 | 136.3 | -54.5 | -24.3 | 0 | 0 | 0 | 124 | ||||
| 414 | L | 32.2 | Very low | 34.9 | Very low | 158 Ų | 158 | 138.7 Ų | 138.7 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | 21.9 | 162.6 | 126.6 | -59.6 | 178.7 | 0 | 0 | 0 | 120.9 | |||||
| 415 | P | 35.9 | Very low | 34.9 | Very low | 122 Ų | 122 | 140.3 Ų | 140.3 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | cis | -142.6 | 178.8 | 17.3 | 29.4 | -3 | 0 | 0 | 0 | 117.4 | ||||
| 416 | V | 31.8 | Very low | 34.6 | Very low | 120 Ų | 120 | 142.4 Ų | 142.4 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | -58.3 | 142 | 173.8 | 176.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 417 | D | 38.3 | Very low | 34.6 | Very low | 169 Ų | 169 | 139 Ų | 139 | 90% | 0.904 | 77% | 0.771 | S | S | * | * | trans | -138.2 | 126 | 147.1 | -91.6 | -35.7 | 0 | 0 | 0 | 110.2 | ||||
| 418 | S | 32 | Very low | 34.8 | Very low | 90 Ų | 90 | 143.3 Ų | 143.3 | 63% | 0.629 | 78% | 0.776 | S | S | * | * | trans | -83.4 | 147.3 | 170.1 | 50.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 419 | D | 41.2 | Very low | 34.5 | Very low | 149 Ų | 149 | 148.4 Ų | 148.4 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | trans | -165.2 | 106.9 | 140.1 | -91.9 | -21.6 | 0 | 0 | 0 | 112.7 | ||||
| 420 | V | 41.2 | Very low | 34.5 | Very low | 114 Ų | 114 | 146.8 Ų | 146.8 | 69% | 0.691 | 78% | 0.782 | S | S | * | * | trans | 33.4 | 134.9 | 131.3 | -75.4 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 421 | D | 35 | Very low | 34.8 | Very low | 145 Ų | 145 | 149.9 Ų | 149.9 | 78% | 0.775 | 79% | 0.785 | S | S | * | * | trans | 101.9 | 101.7 | 131.2 | -72.4 | -9.1 | 0 | 0 | 0 | 122.4 | ||||
| 422 | S | 32.7 | Very low | 35.5 | Very low | 99 Ų | 99 | 149.9 Ų | 149.9 | 69% | 0.692 | 79% | 0.789 | S | S | * | * | 80.2 | 108.6 | 112.1 | -145.3 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 423 | L | 35.6 | Very low | 35.5 | Very low | 165 Ų | 165 | 149 Ų | 149 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | -179.9 | 118.8 | 109.5 | -95.2 | 156.8 | 0 | 0 | 0 | 111.5 | |||||
| 424 | M | 27.4 | Very low | 35.4 | Very low | 166 Ų | 166 | 148.4 Ų | 148.4 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -87.6 | 139.5 | 171.2 | 179.5 | 85.9 | 103.8 | 0 | 0 | 109.4 | ||||
| 425 | T | 35.5 | Very low | 35.7 | Very low | 139 Ų | 139 | 147.2 Ų | 147.2 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | trans | -152.2 | 80.9 | 152.2 | -4.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 426 | E | 31.3 | Very low | 35.8 | Very low | 162 Ų | 162 | 151.6 Ų | 151.6 | 76% | 0.757 | 79% | 0.788 | S | S | * | * | 38.4 | 141.5 | 124.5 | -136.9 | -179 | -173.3 | 0 | 0 | 122.1 | |||||
| 427 | I | 36.1 | Very low | 36.1 | Very low | 132 Ų | 132 | 150 Ų | 150 | 68% | 0.677 | 79% | 0.786 | S | S | * | * | trans | 97.9 | 93.7 | 152 | -46.2 | 172.2 | 0 | 0 | 0 | 116.8 | ||||
| 428 | K | 40.1 | Very low | 35.9 | Very low | 197 Ų | 197 | 153.4 Ų | 153.4 | 86% | 0.857 | 79% | 0.787 | S | S | * | * | 174.4 | 119.1 | 85.4 | -128.5 | 159.8 | -168.3 | -179 | 0 | 110.9 | |||||
| 429 | Y | 30.6 | Very low | 36.2 | Very low | 232 Ų | 232 | 155.9 Ų | 155.9 | 91% | 0.91 | 80% | 0.798 | S | S | * | * | trans | -85.5 | 141 | 175.4 | -77.5 | -91.4 | 0 | 0 | 0 | 111.3 | ||||
| 430 | D | 37.3 | Very low | 36.1 | Very low | 164 Ų | 164 | 155.5 Ų | 155.5 | 88% | 0.877 | 80% | 0.795 | S | S | * | * | trans | -126.9 | 130.3 | 153.1 | -152.5 | -0.6 | 0 | 0 | 0 | 108.1 | ||||
| 431 | E | 37 | Very low | 36.2 | Very low | 171 Ų | 171 | 156 Ų | 156 | 80% | 0.799 | 80% | 0.801 | S | S | * | * | trans | -80.5 | 122.4 | -164.9 | -67.8 | 178.8 | 145.3 | 0 | 0 | 111.8 | ||||
| 432 | K | 43.6 | Very low | 36.3 | Very low | 204 Ų | 204 | 158 Ų | 158 | 89% | 0.887 | 80% | 0.803 | S | S | * | * | trans | -178.5 | 93.4 | 136.3 | -95 | 154.5 | -163.8 | -177.5 | 0 | 111.6 | ||||
| 433 | S | 35.3 | Very low | 36.4 | Very low | 109 Ų | 109 | 158.6 Ų | 158.6 | 76% | 0.762 | 81% | 0.806 | S | S | * | * | trans | 62.8 | 90.1 | 135.2 | -160.5 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 434 | C | 34.5 | Very low | 36.4 | Very low | 109 Ų | 109 | 159.1 Ų | 159.1 | 74% | 0.736 | 80% | 0.804 | S | S | * | * | 43.9 | 134.4 | 101.6 | -73.8 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 435 | I | 37.7 | Very low | 37 | Very low | 134 Ų | 134 | 157.9 Ų | 157.9 | 69% | 0.687 | 80% | 0.801 | S | S | * | * | cis | -162.6 | 161.7 | 16.2 | -75.7 | 133.8 | 0 | 0 | 0 | 109.2 | ||||
| 436 | Y | 38.7 | Very low | 36.7 | Very low | 214 Ų | 214 | 159 Ų | 159 | 84% | 0.839 | 80% | 0.802 | S | S | * | * | trans | 95.1 | 82.1 | 169.4 | -67.8 | -68.6 | 0 | 0 | 0 | 115.6 | ||||
| 437 | A | 37.8 | Very low | 36.9 | Very low | 85 Ų | 85 | 158.1 Ų | 158.1 | 70% | 0.702 | 80% | 0.801 | S | S | * | * | 78.6 | 83.3 | 74.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 438 | R | 34 | Very low | 36.9 | Very low | 241 Ų | 241 | 156.8 Ų | 156.8 | 91% | 0.909 | 80% | 0.803 | S | S | * | * | trans | 39.6 | 97.4 | 130.9 | -158.3 | -178.7 | -106.1 | 173.1 | -5.5 | 117.5 | ||||
| 439 | V | 38.1 | Very low | 36.8 | Very low | 142 Ų | 142 | 154.3 Ų | 154.3 | 86% | 0.861 | 80% | 0.799 | S | S | * | * | trans | -126.4 | 125.5 | 149.4 | -179.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 440 | L | 38.9 | Very low | 37.3 | Very low | 142 Ų | 142 | 151.2 Ų | 151.2 | 74% | 0.743 | 80% | 0.799 | S | S | * | * | trans | -61.9 | 141 | 178.9 | -124.2 | 73.9 | 0 | 0 | 0 | 111 | K442 | L440-K442 PolarHBondContact O-N 3.49Š| ||
| 441 | P | 43.8 | Very low | 37.8 | Very low | 124 Ų | 124 | 152.2 Ų | 152.2 | 81% | 0.805 | 80% | 0.795 | S | S | * | * | trans | -73.6 | 113.1 | 168.8 | 28.8 | -28.9 | 0 | 0 | 0 | 109.4 | S443 | P441-S443 PolarHBondContact O-N 2.81Š| ||
| 442 | K | 36 | Very low | 37.8 | Very low | 188 Ų | 188 | 150.8 Ų | 150.8 | 82% | 0.817 | 79% | 0.793 | S | S | * | * | trans | -67.9 | 122.5 | 161.1 | -87.2 | 178.6 | 175.5 | 175.4 | 0 | 108.3 | L440 E444 | L440-K442 PolarHBondContact O-N 3.49Å; K442-E444 PolarHBondContact O-N 3.45Å | ||
| 443 | S | 35 | Very low | 37.5 | Very low | 110 Ų | 110 | 151.5 Ų | 151.5 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | trans | -72.4 | 110.9 | 163.8 | 53 | 0 | 0 | 0 | 0 | 108.6 | P441 | P441-S443 PolarHBondContact O-N 2.81Š| ||
| 444 | E | 36.5 | Very low | 37.6 | Very low | 176 Ų | 176 | 149.5 Ų | 149.5 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | trans | -107 | 130.4 | 164.1 | -77.3 | -170.5 | 174.4 | 0 | 0 | 110.9 | K442 | K442-E444 PolarHBondContact O-N 3.45Š| ||
| 445 | N | 38.4 | Very low | 37.8 | Very low | 140 Ų | 140 | 154.1 Ų | 154.1 | 75% | 0.749 | 80% | 0.801 | S | S | * | * | trans | -70.9 | 149.7 | -174.1 | -68.4 | -46.5 | 0 | 0 | 0 | 111.2 | I447 | N445-I447 PolarHBondContact O-N 3.17Š| ||
| 446 | N | 31 | Very low | 37.9 | Very low | 162 Ų | 162 | 153.9 Ų | 153.9 | 87% | 0.866 | 81% | 0.811 | S | S | * | * | trans | -49.3 | 120 | 156.2 | -60.5 | -80.1 | 0 | 0 | 0 | 110 | ||||
| 447 | I | 35.2 | Very low | 38 | Very low | 145 Ų | 145 | 153.3 Ų | 153.3 | 74% | 0.744 | 81% | 0.813 | S | S | * | * | trans | -143.4 | 112.1 | 150.8 | -89.3 | 135 | 0 | 0 | 0 | 106.7 | N445 | N445-I447 PolarHBondContact O-N 3.17Š| ||
| 448 | S | 35.2 | Very low | 38.1 | Very low | 104 Ų | 104 | 161.1 Ų | 161.1 | 73% | 0.727 | 82% | 0.824 | S | S | * | * | trans | -57.4 | 141.6 | 159.6 | 51.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 449 | D | 38.2 | Very low | 38.6 | Very low | 145 Ų | 145 | 159.4 Ų | 159.4 | 78% | 0.775 | 82% | 0.823 | S | S | * | * | trans | -158.4 | 98.5 | 144.3 | -90.9 | -31.9 | 0 | 0 | 0 | 110.4 | ||||
| 450 | D | 40.5 | Very low | 38.3 | Very low | 167 Ų | 167 | 163.9 Ų | 163.9 | 89% | 0.893 | 83% | 0.825 | S | S | * | * | trans | -63.8 | 127.6 | 159.3 | -116.1 | -25.3 | 0 | 0 | 0 | 108.5 | ||||
| 451 | K | 47.8 | Very low | 38.6 | Very low | 184 Ų | 184 | 164.1 Ų | 164.1 | 80% | 0.8 | 83% | 0.831 | S | S | * | * | trans | -114.4 | 121.9 | 164.9 | -85.6 | -171 | -179.1 | 173.7 | 0 | 111.7 | ||||
| 452 | N | 37.2 | Very low | 38.4 | Very low | 141 Ų | 141 | 163.7 Ų | 163.7 | 75% | 0.754 | 83% | 0.832 | S | S | * | * | trans | 78.6 | 95.7 | 144.5 | -75.7 | -27.3 | 0 | 0 | 0 | 119.3 | ||||
| 453 | F | 37.6 | Very low | 38.7 | Very low | 220 Ų | 220 | 158.9 Ų | 158.9 | 97% | 0.965 | 84% | 0.835 | S | S | * | * | -140.2 | 123.8 | 130 | -96.8 | -81.6 | 0 | 0 | 0 | 111.7 | |||||
| 454 | G | 37.7 | Very low | 38.7 | Very low | 67 Ų | 67 | 159.2 Ų | 159.2 | 69% | 0.691 | 84% | 0.838 | S | S | * | * | trans | 68 | 91.1 | 135.3 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 455 | K | 37.5 | Very low | 38.8 | Very low | 206 Ų | 206 | 157.3 Ų | 157.3 | 90% | 0.896 | 84% | 0.842 | S | S | * | * | trans | 25.6 | 108.8 | 134.1 | -59 | 176.4 | -179.4 | 174.4 | 0 | 118.1 | ||||
| 456 | S | 40.9 | Very low | 38.9 | Very low | 128 Ų | 128 | 154.3 Ų | 154.3 | 90% | 0.895 | 84% | 0.844 | S | S | * | * | 179.2 | 140 | 122.5 | -87.1 | 0 | 0 | 0 | 0 | 114 | |||||
| 457 | K | 40.7 | Very low | 38.9 | Very low | 203 Ų | 203 | 154.7 Ų | 154.7 | 88% | 0.883 | 85% | 0.847 | S | S | * | * | trans | -62 | 135.2 | -177.5 | -64 | 170.4 | 171.3 | 174.5 | 0 | 113.1 | ||||
| 458 | R | 39.7 | Very low | 39.2 | Very low | 248 Ų | 248 | 153.9 Ų | 153.9 | 94% | 0.936 | 85% | 0.853 | S | S | * | * | 179.6 | 117.4 | 126.4 | -101.5 | 169.3 | 175.1 | -167.4 | -1 | 114.6 | |||||
| 459 | K | 44.7 | Very low | 39.3 | Very low | 205 Ų | 205 | 153.7 Ų | 153.7 | 89% | 0.891 | 85% | 0.852 | S | S | * | * | trans | 61.6 | 112.1 | 131.7 | -151.3 | 164.8 | -177.7 | 175.7 | 0 | 121 | ||||
| 460 | R | 31.6 | Very low | 39.3 | Very low | 237 Ų | 237 | 153.1 Ų | 153.1 | 89% | 0.894 | 85% | 0.849 | S | S | * | * | trans | -53.7 | 146.6 | 163.5 | -65.5 | 173.7 | -178.3 | 160.4 | -0.6 | 113.7 | ||||
| 461 | V | 44.8 | Very low | 39.3 | Very low | 146 Ų | 146 | 151.8 Ų | 151.8 | 89% | 0.885 | 84% | 0.837 | S | S | * | * | trans | -143.5 | 132.9 | 132.8 | 179 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 462 | S | 40.2 | Very low | 39.1 | Very low | 116 Ų | 116 | 149.3 Ų | 149.3 | 81% | 0.811 | 83% | 0.833 | S | S | * | * | trans | -84.5 | 154.1 | -176.6 | 47.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 463 | G | 42.7 | Very low | 38.8 | Very low | 87 Ų | 87 | 153 Ų | 153 | 90% | 0.897 | 84% | 0.838 | S | S | * | * | trans | -166.7 | 103.2 | 161 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 464 | S | 35 | Very low | 38.9 | Very low | 117 Ų | 117 | 152.1 Ų | 152.1 | 82% | 0.818 | 83% | 0.834 | S | S | * | * | trans | -118.3 | 139.1 | 178.1 | 163.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 465 | C | 39.1 | Very low | 38.8 | Very low | 136 Ų | 136 | 153.5 Ų | 153.5 | 92% | 0.919 | 83% | 0.833 | S | S | * | * | trans | 178.7 | 132.5 | 157.1 | -73.7 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 466 | G | 39.4 | Very low | 38.8 | Very low | 77 Ų | 77 | 152.2 Ų | 152.2 | 79% | 0.794 | 83% | 0.829 | S | S | * | * | cis | 163.7 | 124.4 | 4.6 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 467 | D | 31.3 | Very low | 38.5 | Very low | 170 Ų | 170 | 152.9 Ų | 152.9 | 91% | 0.909 | 82% | 0.822 | S | S | * | * | trans | -81.5 | 151.8 | 171.3 | -91.4 | -34.3 | 0 | 0 | 0 | 110.7 | ||||
| 468 | S | 41.7 | Very low | 38.2 | Very low | 127 Ų | 127 | 150 Ų | 150 | 89% | 0.888 | 82% | 0.817 | S | S | * | * | trans | -144.3 | 130.5 | 157.8 | -83.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 469 | S | 37.8 | Very low | 38 | Very low | 100 Ų | 100 | 143.1 Ų | 143.1 | 70% | 0.699 | 81% | 0.806 | S | S | * | * | trans | -88.7 | -172.7 | -172.4 | 56.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 470 | N | 38.5 | Very low | 37.4 | Very low | 133 Ų | 133 | 142 Ų | 142 | 71% | 0.711 | 81% | 0.809 | S | S | * | * | trans | 96.7 | 137.3 | 155.6 | -72.8 | 16.7 | 0 | 0 | 0 | 117.1 | ||||
| 471 | E | 40.4 | Very low | 37.6 | Very low | 139 Ų | 139 | 136 Ų | 136 | 65% | 0.65 | 80% | 0.804 | S | S | * | * | cis | -169.8 | 165.1 | -4.3 | -88.8 | -127.5 | 147.4 | 0 | 0 | 108.4 | ||||
| 472 | N | 42.2 | Very low | 37.3 | Very low | 132 Ų | 132 | 138.3 Ų | 138.3 | 71% | 0.706 | 80% | 0.802 | S | S | * | * | trans | 106.7 | 110.7 | 137.2 | -77.3 | -39.8 | 0 | 0 | 0 | 122.9 | ||||
| 473 | Y | 30.3 | Very low | 37.1 | Very low | 220 Ų | 220 | 140.5 Ų | 140.5 | 86% | 0.863 | 80% | 0.804 | S | S | * | * | trans | -46.8 | 149.8 | 159.3 | -64 | -97.8 | 0 | 0 | 0 | 115.3 | ||||
| 474 | K | 41.6 | Very low | 36.8 | Very low | 201 Ų | 201 | 142.1 Ų | 142.1 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | -177.8 | 142.3 | 106.3 | -146.6 | 147.4 | -180 | 168.8 | 0 | 112.3 | |||||
| 475 | S | 34.7 | Very low | 36.9 | Very low | 95 Ų | 95 | 141.4 Ų | 141.4 | 66% | 0.664 | 80% | 0.8 | S | S | * | * | trans | -57.9 | 144.9 | 175.9 | 51.4 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 476 | H | 37.1 | Very low | 36.9 | Very low | 179 Ų | 179 | 139.6 Ų | 139.6 | 83% | 0.829 | 79% | 0.786 | S | S | * | * | -168.9 | 145.9 | 119.4 | -131.6 | -95 | 0 | 0 | 0 | 111.9 | |||||
| 477 | L | 34.4 | Very low | 36.9 | Very low | 142 Ų | 142 | 144 Ų | 144 | 74% | 0.743 | 79% | 0.791 | S | S | * | * | trans | -60.8 | 141.1 | -179.9 | -63 | 160.5 | 0 | 0 | 0 | 112.8 | ||||
| 478 | D | 34.5 | Very low | 37.1 | Very low | 144 Ų | 144 | 141.4 Ų | 141.4 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | 159.8 | 140.7 | 115.3 | -92.7 | -22.9 | 0 | 0 | 0 | 112.7 | |||||
| 479 | S | 36.2 | Very low | 36.7 | Very low | 102 Ų | 102 | 145.9 Ų | 145.9 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | trans | 71.6 | 98.1 | 149.9 | -56.7 | 0 | 0 | 0 | 0 | 119.4 | S481 | S479-S481 PolarHBondContact O-N 3.08Š| ||
| 480 | L | 32.4 | Very low | 36.6 | Very low | 181 Ų | 181 | 148.8 Ų | 148.8 | 95% | 0.948 | 79% | 0.791 | S | S | * | * | trans | 1.4 | 101.7 | 140.3 | -59.3 | 173.3 | 0 | 0 | 0 | 115.9 | ||||
| 481 | S | 35 | Very low | 36.4 | Very low | 113 Ų | 113 | 148.1 Ų | 148.1 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | trans | -161.8 | 142.6 | 144.9 | 54.5 | 0 | 0 | 0 | 0 | 111.7 | S479 | S479-S481 PolarHBondContact O-N 3.08Š| ||
| 482 | F | 39.3 | Very low | 36.4 | Very low | 194 Ų | 194 | 148.4 Ų | 148.4 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | trans | -57 | 138.9 | -178.8 | -73.6 | -104.8 | 0 | 0 | 0 | 113 | ||||
| 483 | L | 35.8 | Very low | 36.1 | Very low | 162 Ų | 162 | 147.2 Ų | 147.2 | 85% | 0.848 | 81% | 0.805 | S | S | * | * | trans | 28 | 119.5 | 150.8 | -62.5 | 172.7 | 0 | 0 | 0 | 118 | ||||
| 484 | P | 35.5 | Very low | 36.4 | Very low | 120 Ų | 120 | 143.4 Ų | 143.4 | 78% | 0.779 | 81% | 0.805 | S | S | * | * | trans | -121 | 110.9 | 147.5 | 29.8 | -13.9 | 0 | 0 | 0 | 110.2 | ||||
| 485 | A | 37.6 | Very low | 36.1 | Very low | 102 Ų | 102 | 139.7 Ų | 139.7 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | trans | -89.8 | 124.4 | 140.7 | 0 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 486 | P | 39.9 | Very low | 36.3 | Very low | 99 Ų | 99 | 139.8 Ų | 139.8 | 64% | 0.643 | 81% | 0.807 | S | S | * | * | -149.9 | 149.7 | 129.1 | 33.9 | -15.4 | 0 | 0 | 0 | 112.7 | |||||
| 487 | L | 38.1 | Very low | 36.5 | Very low | 169 Ų | 169 | 136.7 Ų | 136.7 | 89% | 0.885 | 81% | 0.806 | S | S | * | * | 162.6 | 125.9 | 107.2 | -81.3 | 174.5 | 0 | 0 | 0 | 110.6 | |||||
| 488 | S | 35.7 | Very low | 36.5 | Very low | 115 Ų | 115 | 137.4 Ų | 137.4 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | -70.1 | 164 | 170 | -48.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 489 | R | 34.2 | Very low | 36.7 | Very low | 222 Ų | 222 | 141.7 Ų | 141.7 | 84% | 0.838 | 82% | 0.816 | S | S | * | * | trans | 105 | 105.7 | 144.6 | -155.9 | -177.4 | -82 | -174.5 | -4.9 | 114.9 | ||||
| 490 | N | 35.9 | Very low | 37 | Very low | 161 Ų | 161 | 143.3 Ų | 143.3 | 86% | 0.861 | 82% | 0.822 | S | S | * | * | -154.8 | 134.5 | 120.9 | -98.4 | -11.3 | 0 | 0 | 0 | 111.8 | |||||
| 491 | T | 33.9 | Very low | 37.5 | Very low | 119 Ų | 119 | 145.2 Ų | 145.2 | 73% | 0.73 | 82% | 0.822 | S | S | * | * | trans | -81.8 | 134.2 | -179.4 | 45.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 492 | V | 39.5 | Very low | 37.8 | Very low | 144 Ų | 144 | 145.2 Ų | 145.2 | 87% | 0.873 | 82% | 0.822 | S | S | * | * | trans | -142.2 | 130.2 | 147.9 | 178.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 493 | S | 36.3 | Very low | 38.1 | Very low | 108 Ų | 108 | 147 Ų | 147 | 76% | 0.755 | 82% | 0.823 | S | S | * | * | trans | -76.1 | 140.5 | -176.6 | -14.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 494 | T | 37.7 | Very low | 38.7 | Very low | 140 Ų | 140 | 144.7 Ų | 144.7 | 86% | 0.859 | 82% | 0.818 | S | S | * | * | trans | -163.4 | 127.6 | 146.7 | -6.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 495 | P | 35.4 | Very low | 39.4 | Very low | 122 Ų | 122 | 145.5 Ų | 145.5 | 79% | 0.792 | 82% | 0.82 | S | S | * | * | trans | -101.4 | 140.8 | 173.9 | 36.1 | -27.3 | 0 | 0 | 0 | 111.1 | ||||
| 496 | A | 38.9 | Very low | 39.8 | Very low | 97 Ų | 97 | 147.5 Ų | 147.5 | 80% | 0.802 | 82% | 0.816 | S | S | * | * | trans | 157.7 | 104.7 | 150.9 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 497 | S | 39.5 | Very low | 40.1 | Very low | 114 Ų | 114 | 148.3 Ų | 148.3 | 80% | 0.797 | 82% | 0.821 | S | S | * | * | 64.9 | 91.1 | 105 | -171.5 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 498 | D | 36.3 | Very low | 40.9 | Very low | 157 Ų | 157 | 145.8 Ų | 145.8 | 84% | 0.84 | 81% | 0.812 | S | S | * | * | -160.7 | 145.7 | 116.6 | -129.6 | -25.9 | 0 | 0 | 0 | 114.1 | |||||
| 499 | R | 38.1 | Very low | 41.1 | Very low | 235 Ų | 235 | 152.7 Ų | 152.7 | 89% | 0.887 | 82% | 0.821 | S | S | * | * | trans | -85.8 | 112.5 | -176.2 | -72.8 | 169.7 | 161.3 | 177.7 | -3.6 | 110.3 | ||||
| 500 | T | 42.5 | Very low | 42.1 | Very low | 135 Ų | 135 | 144 Ų | 144 | 83% | 0.828 | 80% | 0.801 | S | S | * | * | trans | -152.2 | 118.5 | 143.9 | 46.3 | 0 | 0 | 0 | 0 | 110.2 | S502 | T500-S502 PolarHBondContact O-N 3.4Š| ||
| 501 | K | 41.7 | Very low | 42.7 | Very low | 222 Ų | 222 | 143 Ų | 143 | 97% | 0.965 | 80% | 0.803 | S | S | * | * | trans | -64.7 | 99 | 178.4 | -66.6 | 171 | 176.5 | 178.4 | 0 | 110.1 | ||||
| 502 | S | 42.2 | Very low | 43 | Very low | 113 Ų | 113 | 144.3 Ų | 144.3 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 116.9 | 163.4 | 63.6 | 0 | 0 | 0 | 0 | 109.6 | T500 | T500-S502 PolarHBondContact O-N 3.4Š|
| 503 | R | 46.2 | Very low | 43.1 | Very low | 230 Ų | 230 | 147.6 Ų | 147.6 | 87% | 0.868 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 138.7 | 177.5 | -171.5 | 177.1 | -175.4 | -128.2 | 1.8 | 111.7 | V505 | R503-V505 PolarHBondContact O-N 3.29Š|
| 504 | P | 47.7 | Very low | 43.2 | Very low | 115 Ų | 115 | 146.8 Ų | 146.8 | 75% | 0.747 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 127.2 | 173.9 | -4.3 | 18 | 0 | 0 | 0 | 110.3 | ||
| 505 | V | 49.6 | Very low | 43.2 | Very low | 136 Ų | 136 | 148.5 Ų | 148.5 | 82% | 0.824 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -88 | 118.3 | 172.3 | 175.1 | 0 | 0 | 0 | 0 | 108.1 | R503 | R503-V505 PolarHBondContact O-N 3.29Š|
| 506 | I | 47.3 | Very low | 43.4 | Very low | 144 Ų | 144 | 150.3 Ų | 150.3 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 127 | 173.9 | -60.9 | 170.5 | 0 | 0 | 0 | 108.4 | V508 | I506-V508 PolarHBondContact O-N 2.83Š|
| 507 | P | 45.4 | Very low | 43.2 | Very low | 117 Ų | 117 | 151 Ų | 151 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | trans | -69.2 | 115 | 177.4 | -13.9 | 27.7 | 0 | 0 | 0 | 110.9 | R509 | P507-R509 PolarHBondContact O-N 3.2Š| ||
| 508 | V | 55.6 | Low | 43.1 | Very low | 116 Ų | 116 | 153 Ų | 153 | 70% | 0.703 | 78% | 0.782 | S | S | * | * | trans | -78.6 | 101.5 | 169.2 | 179.1 | 0 | 0 | 0 | 0 | 108.2 | I506 G510 | I506-V508 PolarHBondContact O-N 2.83Å; V508-G510 PolarHBondContact O-N 2.82Å | ||
| 509 | R | 40.2 | Very low | 43.1 | Very low | 260 Ų | 260 | 157 Ų | 157 | 98% | 0.981 | 79% | 0.786 | S | S | * | * | trans | -83.9 | 86.2 | 170.5 | -160.5 | 175.9 | -170.7 | 150.2 | 1 | 108.9 | P507 | P507-R509 PolarHBondContact O-N 3.2Š| ||
| 510 | G | 54.3 | Low | 43.1 | Very low | 40 Ų | 40 | 154.6 Ų | 154.6 | 41% | 0.412 | 78% | 0.784 | S | S | . | * | S | Bend | trans | -151.6 | 157.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109 | V508 Q512 | V508-G510 PolarHBondContact O-N 2.82Å; G510-Q512 PolarHBondContact O-N 3.21Å |
| 511 | P | 47.5 | Very low | 42.8 | Very low | 139 Ų | 139 | 157.2 Ų | 157.2 | 90% | 0.903 | 79% | 0.787 | S | S | * | * | trans | -62.3 | 96.2 | -176.5 | -16.6 | 29.2 | 0 | 0 | 0 | 110.4 | R513 | P511-R513 PolarHBondContact O-N 3.38Š| ||
| 512 | Q | 42 | Very low | 42.6 | Very low | 147 Ų | 147 | 153.2 Ų | 153.2 | 69% | 0.687 | 78% | 0.781 | S | S | * | * | trans | -74.6 | 108 | 171 | -79.1 | -170.7 | 1.1 | 0 | 0 | 107.7 | G510 T514 | G510-Q512 PolarHBondContact O-N 3.21Å; Q512-T514 PolarHBondContact O-N 2.9Å | ||
| 513 | R | 41.4 | Very low | 42.2 | Very low | 212 Ų | 212 | 152.3 Ų | 152.3 | 80% | 0.8 | 78% | 0.781 | S | S | * | * | trans | -65.1 | 98.4 | 160.4 | -77.8 | 176.2 | 155.1 | -107.4 | -0.3 | 107.7 | P511 F515 | P511-R513 PolarHBondContact O-N 3.38Å; R513-F515 HydrophobicContact CB-CE2 4.29Å; R513-F515 PolarHBondContact O-N 2.83Å | ||
| 514 | T | 38.1 | Very low | 41.8 | Very low | 91 Ų | 91 | 147 Ų | 147 | 56% | 0.558 | 78% | 0.776 | S | S | * | * | trans | -73.3 | 104.9 | 166.6 | 44.7 | 0 | 0 | 0 | 0 | 108.3 | Q512 H516 | Q512-T514 PolarHBondContact O-N 2.9Å; T514-H516 PolarHBondContact O-N 2.79Å; T514-H516 PolarHBondContact OG1-NE2 2.94Å | ||
| 515 | F | 37 | Very low | 41.2 | Very low | 176 Ų | 176 | 147.7 Ų | 147.7 | 77% | 0.772 | 78% | 0.778 | S | S | * | * | trans | -77.4 | 104.7 | 164.6 | -71.9 | -82.6 | 0 | 0 | 0 | 107.9 | R513 S517 | R513-F515 HydrophobicContact CB-CE2 4.29Å; R513-F515 PolarHBondContact O-N 2.83Å; F515-S517 PolarHBondContact O-N 3.1Å | ||
| 516 | H | 39.2 | Very low | 40.7 | Very low | 160 Ų | 160 | 147.5 Ų | 147.5 | 74% | 0.741 | 78% | 0.777 | S | S | * | * | trans | -71.1 | 113.4 | 171.1 | -52 | -71.1 | 0 | 0 | 0 | 108.4 | T514 N518 | T514-H516 PolarHBondContact O-N 2.79Å; T514-H516 PolarHBondContact OG1-NE2 2.94Å; H516-N518 PolarHBondContact O-N 3.13Å | ||
| 517 | S | 35.6 | Very low | 40 | Very low | 113 Ų | 113 | 148.9 Ų | 148.9 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | trans | -82.3 | 89.3 | 166.6 | 48.1 | 0 | 0 | 0 | 0 | 108.2 | F515 | F515-S517 PolarHBondContact O-N 3.1Š| ||
| 518 | N | 36.3 | Very low | 39.6 | Very low | 155 Ų | 155 | 151 Ų | 151 | 83% | 0.829 | 78% | 0.784 | S | S | * | * | trans | -153.6 | 92.4 | 165.4 | -93.8 | -31.9 | 0 | 0 | 0 | 108.4 | H516 | H516-N518 PolarHBondContact O-N 3.13Š| ||
| 519 | R | 36.8 | Very low | 38.6 | Very low | 242 Ų | 242 | 154.7 Ų | 154.7 | 91% | 0.913 | 79% | 0.79 | S | S | * | * | trans | -154.3 | 112.8 | 142.3 | -157.3 | 161.7 | -179.1 | 162.1 | -1.3 | 109.2 | ||||
| 520 | E | 38.5 | Very low | 38.2 | Very low | 183 Ų | 183 | 147.4 Ų | 147.4 | 86% | 0.855 | 78% | 0.779 | S | S | * | * | trans | -51.8 | 136.2 | 177.2 | -66 | 169.1 | 136.4 | 0 | 0 | 111.7 | T522 | E520-T522 PolarHBondContact O-N 3.39Š| ||
| 521 | H | 36.9 | Very low | 37.5 | Very low | 191 Ų | 191 | 153.1 Ų | 153.1 | 88% | 0.884 | 80% | 0.799 | S | S | * | * | trans | -74.1 | 111.2 | 167.3 | -75.3 | -75.9 | 0 | 0 | 0 | 109.5 | ||||
| 522 | T | 37.6 | Very low | 36.7 | Very low | 137 Ų | 137 | 151.9 Ų | 151.9 | 84% | 0.84 | 79% | 0.793 | S | S | * | * | trans | -154.9 | 98 | 153.3 | -42.6 | 0 | 0 | 0 | 0 | 110.3 | E520 | E520-T522 PolarHBondContact O-N 3.39Š| ||
| 523 | A | 33.4 | Very low | 36.5 | Very low | 95 Ų | 95 | 149.6 Ų | 149.6 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | -155.5 | 141.4 | 149.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 524 | P | 38.3 | Very low | 36.1 | Very low | 118 Ų | 118 | 144.4 Ų | 144.4 | 77% | 0.766 | 79% | 0.79 | S | S | * | * | trans | -90.5 | 153.6 | -146 | 34.9 | -34.8 | 0 | 0 | 0 | 114.3 | T526 | P524-T526 PolarHBondContact O-N 3.31Š| ||
| 525 | V | 34 | Very low | 36 | Very low | 130 Ų | 130 | 146.8 Ų | 146.8 | 79% | 0.788 | 80% | 0.804 | S | S | * | * | trans | -59 | 119.9 | 168.3 | 174 | 0 | 0 | 0 | 0 | 109.9 | Q527 | V525-Q527 HydrophobicContact CG1-CG 4.14Š| ||
| 526 | T | 39.1 | Very low | 35.8 | Very low | 132 Ų | 132 | 145.3 Ų | 145.3 | 81% | 0.81 | 81% | 0.81 | S | S | * | * | trans | -120.4 | 114.6 | 154.8 | -24.5 | 0 | 0 | 0 | 0 | 108.3 | P524 | P524-T526 PolarHBondContact O-N 3.31Š| ||
| 527 | Q | 33.4 | Very low | 35.5 | Very low | 172 Ų | 172 | 143 Ų | 143 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | -68.7 | 125.7 | 179.6 | -60.2 | 175.3 | -6.4 | 0 | 0 | 110.2 | V525 | V525-Q527 HydrophobicContact CG1-CG 4.14Š| ||
| 528 | I | 36.5 | Very low | 35.5 | Very low | 163 Ų | 163 | 143.3 Ų | 143.3 | 84% | 0.836 | 81% | 0.811 | S | S | * | * | trans | -134.7 | 104.5 | 151.9 | -58.9 | -177 | 0 | 0 | 0 | 109.2 | ||||
| 529 | K | 35.2 | Very low | 35.3 | Very low | 192 Ų | 192 | 144.2 Ų | 144.2 | 84% | 0.835 | 82% | 0.815 | S | S | * | * | trans | 20.5 | 113.8 | 150 | -88.4 | 169.2 | 171.5 | 175.3 | 0 | 119 | ||||
| 530 | S | 31.4 | Very low | 35.1 | Very low | 108 Ų | 108 | 139.8 Ų | 139.8 | 76% | 0.755 | 81% | 0.809 | S | S | * | * | trans | -41.7 | 128 | 146.5 | -7.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 531 | I | 38.9 | Very low | 34.9 | Very low | 160 Ų | 160 | 140 Ų | 140 | 82% | 0.821 | 81% | 0.81 | S | S | * | * | trans | -123.5 | 104.3 | 145.4 | -61.5 | 177.1 | 0 | 0 | 0 | 106 | ||||
| 532 | S | 31.6 | Very low | 34.7 | Very low | 113 Ų | 113 | 135.6 Ų | 135.6 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | trans | -79.6 | 123.5 | 166.4 | -46.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 533 | S | 36.9 | Very low | 34.7 | Very low | 98 Ų | 98 | 135.5 Ų | 135.5 | 69% | 0.685 | 79% | 0.793 | S | S | * | * | trans | -149.2 | 99.2 | 154.2 | 59.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 534 | S | 34.1 | Very low | 35 | Very low | 104 Ų | 104 | 136.6 Ų | 136.6 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | 8 | 124.7 | 139.5 | 54.4 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 535 | T | 35 | Very low | 34.9 | Very low | 141 Ų | 141 | 134.5 Ų | 134.5 | 87% | 0.865 | 78% | 0.783 | S | S | * | * | -167.5 | 118.6 | 106.4 | 43.5 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 536 | T | 32.5 | Very low | 35.4 | Very low | 144 Ų | 144 | 136.4 Ų | 136.4 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | trans | -85.3 | 125.5 | 171.6 | 46.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 537 | S | 34.5 | Very low | 35.5 | Very low | 113 Ų | 113 | 136 Ų | 136 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | trans | -155.2 | 148 | 147.6 | 61.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 538 | P | 34 | Very low | 35.7 | Very low | 118 Ų | 118 | 134.7 Ų | 134.7 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | trans | -94.9 | 127.3 | -158.7 | 34.9 | -27.5 | 0 | 0 | 0 | 111 | ||||
| 539 | L | 34 | Very low | 35.7 | Very low | 174 Ų | 174 | 135 Ų | 135 | 91% | 0.911 | 77% | 0.766 | S | S | * | * | trans | -129.4 | 82.6 | 163.8 | -76.2 | 177 | 0 | 0 | 0 | 109 | ||||
| 540 | D | 32 | Very low | 35.7 | Very low | 149 Ų | 149 | 132.4 Ų | 132.4 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | trans | -58.5 | 154.6 | 147.4 | -98.4 | -37.2 | 0 | 0 | 0 | 110 | ||||
| 541 | E | 33.1 | Very low | 35.8 | Very low | 188 Ų | 188 | 132.2 Ų | 132.2 | 88% | 0.879 | 76% | 0.759 | S | S | * | * | S | Bend | trans | 66.9 | 72.1 | 162.6 | -66.3 | -176.1 | 144.4 | 0 | 0 | 119.4 | ||
| 542 | C | 33.3 | Very low | 35.7 | Very low | 99 Ų | 99 | 133 Ų | 133 | 67% | 0.669 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -159.5 | 22.2 | 151 | -143.1 | 0 | 0 | 0 | 0 | 118.5 | ||
| 543 | I | 37.7 | Very low | 35.8 | Very low | 135 Ų | 135 | 137 Ų | 137 | 69% | 0.692 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -116.6 | -10.6 | -175.6 | -54.3 | -178.6 | 0 | 0 | 0 | 113.9 | S545 L547 | I543-S545 PolarHBondContact O-N 2.92Å; I543-L547 HydrophobicContact CG2-CD1 4.3Å |
| 544 | S | 39.2 | Very low | 35.6 | Very low | 117 Ų | 117 | 138.9 Ų | 138.9 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | 0.3 | -177.1 | -71.8 | 0 | 0 | 0 | 0 | 116.9 | ||
| 545 | S | 37.5 | Very low | 35.5 | Very low | 75 Ų | 75 | 139.8 Ų | 139.8 | 52% | 0.524 | 77% | 0.769 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -120.1 | -6.4 | -176.2 | 62.1 | 0 | 0 | 0 | 0 | 116 | I543 | I543-S545 PolarHBondContact O-N 2.92Š|
| 546 | K | 43 | Very low | 35.3 | Very low | 169 Ų | 169 | 141.1 Ų | 141.1 | 74% | 0.735 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105 | -17.9 | -178.5 | -74.2 | -178.4 | 179 | 176 | 0 | 114.9 | ||
| 547 | L | 42.3 | Very low | 35.2 | Very low | 124 Ų | 124 | 142.3 Ų | 142.3 | 65% | 0.649 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -92.3 | -11.8 | 179.7 | -87 | 161.8 | 0 | 0 | 0 | 114.7 | I543 | I543-L547 HydrophobicContact CG2-CD1 4.3Š|
| 548 | L | 37.5 | Very low | 34.8 | Very low | 145 Ų | 145 | 141.7 Ų | 141.7 | 76% | 0.759 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | 10 | 176.1 | -84.9 | 155.5 | 0 | 0 | 0 | 114.1 | ||
| 549 | K | 35.7 | Very low | 34.9 | Very low | 168 Ų | 168 | 141.8 Ų | 141.8 | 73% | 0.73 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.8 | 11.1 | 179.1 | -75.5 | -176.8 | 178.5 | 178.2 | 0 | 114.7 | ||
| 550 | L | 35.3 | Very low | 34.7 | Very low | 138 Ų | 138 | 140.4 Ų | 140.4 | 72% | 0.723 | 75% | 0.746 | S | S | * | * | trans | -97.6 | 21 | 173.3 | -72.9 | 169.8 | 0 | 0 | 0 | 113.4 | ||||
| 551 | S | 33.8 | Very low | 34.7 | Very low | 105 Ų | 105 | 138 Ų | 138 | 73% | 0.734 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -105.9 | 21.4 | 172 | 75.5 | 0 | 0 | 0 | 0 | 113.3 | ||
| 552 | K | 36.6 | Very low | 34.5 | Very low | 175 Ų | 175 | 134 Ų | 134 | 76% | 0.761 | 73% | 0.734 | S | S | * | * | trans | -125 | 61.7 | 174.7 | -65.9 | -166.9 | 179.8 | -167.5 | 0 | 110.6 | ||||
| 553 | F | 34.5 | Very low | 34.7 | Very low | 197 Ų | 197 | 137.1 Ų | 137.1 | 86% | 0.864 | 74% | 0.742 | S | S | * | * | trans | -110.5 | 83.3 | 152.8 | -89.9 | -80.5 | 0 | 0 | 0 | 106.2 | S555 | F553-S555 PolarHBondContact O-N 2.82Š| ||
| 554 | D | 32.4 | Very low | 34.6 | Very low | 138 Ų | 138 | 139 Ų | 139 | 74% | 0.738 | 75% | 0.746 | S | S | * | * | trans | -56.5 | 121.5 | 166.6 | -90 | -45.9 | 0 | 0 | 0 | 108.6 | K556 | D554-K556 PolarHBondContact O-N 3.03Š| ||
| 555 | S | 32.5 | Very low | 34.1 | Very low | 123 Ų | 123 | 138.4 Ų | 138.4 | 86% | 0.86 | 74% | 0.741 | S | S | * | * | trans | -64.5 | 81.3 | 157.7 | 47.3 | 0 | 0 | 0 | 0 | 108.9 | F553 | F553-S555 PolarHBondContact O-N 2.82Š| ||
| 556 | K | 30.5 | Very low | 33.9 | Very low | 170 Ų | 170 | 140.1 Ų | 140.1 | 74% | 0.739 | 75% | 0.75 | S | S | * | * | trans | -129.1 | 76.3 | 164.5 | -91.2 | -165.2 | 172.9 | -163.3 | 0 | 109.3 | D554 | D554-K556 PolarHBondContact O-N 3.03Š| ||
| 557 | L | 29.1 | Very low | 33.1 | Very low | 169 Ų | 169 | 137.4 Ų | 137.4 | 89% | 0.885 | 75% | 0.752 | S | S | * | * | trans | -102.5 | 73.9 | 145.7 | -88.1 | 164.8 | 0 | 0 | 0 | 106.6 | ||||
| 558 | T | 27.3 | Very low | 32.7 | Very low | 99 Ų | 99 | 138.8 Ų | 138.8 | 61% | 0.607 | 76% | 0.758 | S | S | * | * | trans | -83.3 | 102 | 159.3 | -48.8 | 0 | 0 | 0 | 0 | 105.3 | D560 | T558-D560 PolarHBondContact O-N 2.88Š| ||
| 559 | V | 36 | Very low | 32.3 | Very low | 120 Ų | 120 | 140.2 Ų | 140.2 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | trans | -89.1 | 94.8 | 163.4 | 177.5 | 0 | 0 | 0 | 0 | 106 | ||||
| 560 | D | 28.4 | Very low | 32.2 | Very low | 146 Ų | 146 | 136.9 Ų | 136.9 | 78% | 0.781 | 76% | 0.756 | S | S | * | * | trans | -71 | 117.3 | 158.8 | -87.3 | -39.9 | 0 | 0 | 0 | 108.4 | T558 | T558-D560 PolarHBondContact O-N 2.88Š| ||
| 561 | S | 34 | Very low | 31.9 | Very low | 98 Ų | 98 | 138.8 Ų | 138.8 | 69% | 0.685 | 76% | 0.759 | S | S | * | * | trans | -161.8 | 97.2 | 142.4 | 51.2 | 0 | 0 | 0 | 0 | 110.8 | I563 | S561-I563 PolarHBondContact O-N 3.06Å; S561-I563 VanDerWaalsContact O-N 3.13Å | ||
| 562 | S | 28.6 | Very low | 31.8 | Very low | 105 Ų | 105 | 139.7 Ų | 139.7 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | trans | -34.2 | 108.1 | 155.4 | 159.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 563 | I | 36.4 | Very low | 31.8 | Very low | 163 Ų | 163 | 136.9 Ų | 136.9 | 84% | 0.836 | 76% | 0.762 | S | S | * | * | trans | -127.4 | 109.5 | 146.6 | -61.4 | -178 | 0 | 0 | 0 | 107.7 | S561 | S561-I563 PolarHBondContact O-N 3.06Å; S561-I563 VanDerWaalsContact O-N 3.13Å | ||
| 564 | K | 35.4 | Very low | 31.6 | Very low | 176 Ų | 176 | 134.6 Ų | 134.6 | 77% | 0.765 | 76% | 0.759 | S | S | * | * | trans | -60.2 | 134.5 | 172.1 | -71.6 | 167.7 | 172.3 | 176.6 | 0 | 110.3 | ||||
| 565 | S | 29.6 | Very low | 31.8 | Very low | 103 Ų | 103 | 136.7 Ų | 136.7 | 72% | 0.72 | 76% | 0.764 | S | S | * | * | trans | 13.7 | 148.6 | 138.8 | 55.7 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 566 | P | 32.1 | Very low | 32.2 | Very low | 111 Ų | 111 | 135 Ų | 135 | 72% | 0.721 | 75% | 0.75 | S | S | * | * | cis | -147.2 | 161.1 | 36.8 | 37 | -15.2 | 0 | 0 | 0 | 117.8 | ||||
| 567 | C | 26.8 | Very low | 32.4 | Very low | 113 Ų | 113 | 134 Ų | 134 | 76% | 0.764 | 75% | 0.753 | S | S | * | * | trans | 16.4 | 113.3 | 135.4 | -139.2 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 568 | I | 34 | Very low | 33 | Very low | 153 Ų | 153 | 131.7 Ų | 131.7 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | trans | -119.8 | 90.5 | 152.2 | -58.9 | 178.9 | 0 | 0 | 0 | 107.3 | ||||
| 569 | K | 29.6 | Very low | 33.8 | Very low | 175 Ų | 175 | 133.4 Ų | 133.4 | 76% | 0.761 | 75% | 0.75 | S | S | * | * | trans | -83.6 | 116.1 | 137.6 | -69.3 | 177.3 | 178.3 | -179.7 | 0 | 104.6 | F571 | K569-F571 WeakPolarHBondContact O-CD2 3.24Š| ||
| 570 | S | 34.5 | Very low | 34.1 | Very low | 98 Ų | 98 | 135.3 Ų | 135.3 | 69% | 0.685 | 76% | 0.756 | S | S | * | * | trans | -116 | 93 | 166 | 49.4 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 571 | F | 28 | Very low | 34.9 | Very low | 177 Ų | 177 | 131.7 Ų | 131.7 | 78% | 0.776 | 75% | 0.753 | S | S | * | * | 54.4 | 102.6 | 86.7 | -81.4 | -77.2 | 0 | 0 | 0 | 113.2 | K569 | K569-F571 WeakPolarHBondContact O-CD2 3.24Š| |||
| 572 | T | 32.4 | Very low | 35.6 | Very low | 124 Ų | 124 | 132.9 Ų | 132.9 | 76% | 0.761 | 76% | 0.761 | S | S | * | * | trans | -13.4 | 130.8 | 141.8 | 56.7 | 0 | 0 | 0 | 0 | 115 | ||||
| 573 | S | 36 | Very low | 36.6 | Very low | 116 Ų | 116 | 133.6 Ų | 133.6 | 81% | 0.811 | 77% | 0.766 | S | S | * | * | trans | -138.6 | 111.8 | 155.1 | 68.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 574 | N | 31.1 | Very low | 37.3 | Very low | 150 Ų | 150 | 135 Ų | 135 | 80% | 0.802 | 79% | 0.79 | S | S | * | * | trans | -54.5 | 145.9 | 164.4 | -60.3 | -50.8 | 0 | 0 | 0 | 111.8 | ||||
| 575 | H | 35.5 | Very low | 37.4 | Very low | 182 Ų | 182 | 132.9 Ų | 132.9 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | trans | -171.8 | 156.3 | 147.8 | -112.2 | -58.1 | 0 | 0 | 0 | 110.5 | ||||
| 576 | P | 40.2 | Very low | 37.8 | Very low | 87 Ų | 87 | 134.5 Ų | 134.5 | 57% | 0.565 | 80% | 0.795 | S | S | * | * | -129.1 | 170.1 | -79.7 | 41.8 | -29.3 | 0 | 0 | 0 | 113.7 | |||||
| 577 | N | 35.7 | Very low | 38.2 | Very low | 149 Ų | 149 | 135.8 Ų | 135.8 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | trans | 63.8 | 137 | 149.7 | -65.3 | -24.9 | 0 | 0 | 0 | 120.3 | ||||
| 578 | V | 41.7 | Very low | 38.8 | Very low | 121 Ų | 121 | 137.1 Ų | 137.1 | 73% | 0.733 | 80% | 0.801 | S | S | * | * | trans | 122.8 | 87.2 | 141.4 | -178.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 579 | I | 44.1 | Very low | 39.1 | Very low | 135 Ų | 135 | 136.1 Ų | 136.1 | 69% | 0.692 | 80% | 0.803 | S | S | * | * | 104.7 | 120.2 | 94.5 | -78.9 | 179.5 | 0 | 0 | 0 | 110.7 | |||||
| 580 | D | 41.7 | Very low | 39.8 | Very low | 159 Ų | 159 | 133.5 Ų | 133.5 | 85% | 0.85 | 81% | 0.805 | S | S | * | * | trans | 64.2 | 133.9 | 149.7 | -58.8 | -14.1 | 0 | 0 | 0 | 123.5 | ||||
| 581 | G | 46.6 | Very low | 40.1 | Very low | 70 Ų | 70 | 136.1 Ų | 136.1 | 72% | 0.722 | 81% | 0.814 | S | S | * | * | trans | 133.9 | 70.2 | 133.1 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 582 | S | 47.2 | Very low | 41.1 | Very low | 124 Ų | 124 | 132.9 Ų | 132.9 | 87% | 0.867 | 82% | 0.817 | S | S | * | * | trans | 33.1 | 139.3 | 134.3 | -51.8 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 583 | S | 49.9 | Very low | 41.8 | Very low | 120 Ų | 120 | 133.7 Ų | 133.7 | 84% | 0.839 | 82% | 0.821 | S | S | * | * | trans | 93 | 94.6 | 139.2 | 173.7 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 584 | S | 52 | Low | 42.3 | Very low | 191 Ų | 191 | 135.3 Ų | 135.3 | 100% | 1.336 | 82% | 0.822 | S | S | * | * | -167 | 0 | 116.6 | 61.6 | 0 | 0 | 0 | 0 | 110.5 |
Retrieved 584 of 584 residues in 279.9 ms
(Link to these results)