| 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 | 42.6 | Very low | 59.5 | Low | 238 Ų | 238 | 163.5 Ų | 163.5 | 100% | 1.172 | 77% | 0.774 | S | S | * | * | 0 | 117.2 | 0 | -75.7 | -155.1 | -87.2 | 0 | 0 | 108.8 | R3 | M1-R3 PolarHBondContact O-N 2.9Š| |||
| 2 | R | 43.2 | Very low | 60.9 | Low | 252 Ų | 252 | 154.7 Ų | 154.7 | 95% | 0.951 | 73% | 0.734 | S | S | * | * | trans | -76.6 | 118.8 | 170.9 | -79.2 | -177.4 | 176.4 | 164.3 | -1.5 | 108 | M4 | R2-M4 PolarHBondContact O-N 3.46Š| ||
| 3 | R | 38.4 | Very low | 62.3 | Low | 246 Ų | 246 | 150.2 Ų | 150.2 | 93% | 0.928 | 73% | 0.725 | S | S | * | * | trans | -78.9 | 115.5 | 171.2 | -71.3 | -172.5 | 179.5 | -169.8 | 0.6 | 107.6 | M1 | M1-R3 PolarHBondContact O-N 2.9Š| ||
| 4 | M | 46.2 | Very low | 63.7 | Low | 180 Ų | 180 | 147.5 Ų | 147.5 | 89% | 0.887 | 71% | 0.709 | S | S | * | * | trans | -72.8 | 124.2 | 169.5 | -68.3 | -83.8 | -83 | 0 | 0 | 107.7 | R2 | R2-M4 PolarHBondContact O-N 3.46Š| ||
| 5 | A | 61.4 | Low | 64.2 | Low | 94 Ų | 94 | 150.7 Ų | 150.7 | 78% | 0.777 | 72% | 0.722 | S | S | * | * | trans | -70.8 | 134 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | K7 | A5-K7 PolarHBondContact O-N 3.15Š| ||
| 6 | L | 52.2 | Low | 65.4 | Low | 172 Ų | 172 | 146.4 Ų | 146.4 | 90% | 0.901 | 73% | 0.731 | S | S | * | * | trans | -72.8 | 107 | 174.6 | -75.3 | 154.6 | 0 | 0 | 0 | 108.3 | ||||
| 7 | K | 67.6 | Low | 66.1 | Low | 154 Ų | 154 | 145.9 Ų | 145.9 | 67% | 0.67 | 72% | 0.719 | S | S | * | * | trans | -60.4 | 134.3 | 174.8 | -65.5 | -172.7 | 175.2 | -165.5 | 0 | 110.2 | A5 L9 | A5-K7 PolarHBondContact O-N 3.15Å; K7-L9 HydrophobicContact CB-CD1 4.27Å; K7-L9 PolarHBondContact O-N 3.41Å | ||
| 8 | K | 70.5 | Confident | 67 | Low | 162 Ų | 162 | 143.8 Ų | 143.8 | 70% | 0.704 | 71% | 0.711 | S | S | * | * | trans | -82.9 | 107.5 | 174.2 | -70.4 | 179.5 | -176.4 | 169.1 | 0 | 109.6 | ||||
| 9 | L | 76.3 | Confident | 67.3 | Low | 94 Ų | 94 | 140.2 Ų | 140.2 | 49% | 0.492 | 69% | 0.694 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.1 | 137.5 | 170.1 | -100.1 | 83.1 | 0 | 0 | 0 | 110.8 | K7 L20 | K7-L9 HydrophobicContact CB-CD1 4.27Å; K7-L9 PolarHBondContact O-N 3.41Å; L9-L20 HydrophobicContact CD2-CB 4.02Å; L9-L20 HydrophobicContact CD2-CD2 3.54Å; L9-L20 HydrophobicContact CD2-CG 3.86Å |
| 10 | K | 73.9 | Confident | 67.9 | Low | 129 Ų | 129 | 138.7 Ų | 138.7 | 56% | 0.561 | 69% | 0.688 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -106.5 | 130.9 | 164.3 | -166.4 | 162.4 | -179.8 | 159.8 | 0 | 110 | L21 F23 | K10-L21 PolarHBondContact N-O 3.07Å; K10-L21 PolarHBondContact O-N 3.22Å; K10-F23 HydrophobicContact CB-CD2 4.18Å; K10-F23 HydrophobicContact CB-CE2 3.7Å; K10-F23 HydrophobicContact CD-CE2 4.29Å |
| 11 | V | 81.8 | Confident | 68 | Low | 77 Ų | 77 | 135.9 Ų | 135.9 | 47% | 0.467 | 68% | 0.675 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106 | 122.9 | 178.7 | -175.8 | 0 | 0 | 0 | 0 | 108.8 | L18 L19 L20 | V11-L18 HydrophobicContact CG1-CB 4.12Å; V11-L18 HydrophobicContact CG1-CD1 4.16Å; V11-L18 HydrophobicContact CG1-CD2 4.33Å; V11-L18 HydrophobicContact CG1-CG 4.44Å; V11-L19 WeakPolarHBondContact CA-O 3.49Å; V11-L20 HydrophobicContact CG2-CG 4.43Å |
| 12 | I | 76.8 | Confident | 69.5 | Low | 58 Ų | 58 | 129.4 Ų | 129.4 | 30% | 0.297 | 65% | 0.646 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.6 | 117.1 | 174.3 | -57.8 | 175.9 | 0 | 0 | 0 | 108.6 | L19 L21 | I12-L19 HydrophobicContact CB-CB 4.4Å; I12-L19 PolarHBondContact N-O 3.38Å; I12-L19 PolarHBondContact O-N 3.28Å; I12-L21 HydrophobicContact CD1-CD1 3.88Å |
| 13 | P | 78.8 | Confident | 69.9 | Low | 96 Ų | 96 | 123.5 Ų | 123.5 | 62% | 0.623 | 63% | 0.627 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -73.2 | 137.2 | 174.5 | 27.4 | -30.5 | 0 | 0 | 0 | 111.7 | L18 | P13-L18 HydrophobicContact CB-CD2 3.81Å |
| 14 | K | 82.2 | Confident | 71.1 | Confident | 113 Ų | 113 | 116.4 Ų | 116.4 | 49% | 0.491 | 61% | 0.608 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -129.2 | 162.2 | 171 | -66.9 | -63.8 | -177.9 | -178.8 | 0 | 109.8 | G16 Y17 L19 | K14-G16 PolarHBondContact O-N 3.45Å; K14-Y17 CarbonylContact C-O 3.49Å; K14-Y17 WeakPolarHBondContact CA-O 3.43Å; K14-Y17 HydrophobicContact CB-CD1 4.19Å; K14-Y17 HydrophobicContact CB-CD2 4.3Å; K14-Y17 HydrophobicContact CB-CE1 3.86Å; K14-Y17 HydrophobicContact CB-CE2 4.01Å; K14-Y17 HydrophobicContact CB-CG 4.39Å; K14-Y17 HydrophobicContact CG-CE2 4.17Å; K14-Y17 PolarHBondContact N-O 3.42Å; K14-Y17 PolarHBondContact O-N 3.22Å; K14-L19 HydrophobicContact CG-CD1 4.05Å |
| 15 | E | 70.4 | Confident | 71.4 | Confident | 195 Ų | 195 | 114 Ų | 114 | 91% | 0.911 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.4 | 100.4 | 179.5 | -153.9 | 75.6 | -144.9 | 0 | 0 | 109.6 | ||
| 16 | G | 83.4 | Confident | 70.9 | Confident | 83 Ų | 83 | 117.5 Ų | 117.5 | 86% | 0.856 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 90.5 | -0.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | K14 | K14-G16 PolarHBondContact O-N 3.45Š|
| 17 | Y | 77.3 | Confident | 70.6 | Confident | 137 Ų | 137 | 115.7 Ų | 115.7 | 54% | 0.537 | 59% | 0.59 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -158.6 | 162.4 | 175.9 | 64.2 | -79.5 | 0 | 0 | 0 | 113.2 | K14 L19 | K14-Y17 CarbonylContact C-O 3.49Å; K14-Y17 WeakPolarHBondContact CA-O 3.43Å; K14-Y17 HydrophobicContact CB-CD1 4.19Å; K14-Y17 HydrophobicContact CB-CD2 4.3Å; K14-Y17 HydrophobicContact CB-CE1 3.86Å; K14-Y17 HydrophobicContact CB-CE2 4.01Å; K14-Y17 HydrophobicContact CB-CG 4.39Å; K14-Y17 HydrophobicContact CG-CE2 4.17Å; K14-Y17 PolarHBondContact N-O 3.42Å; K14-Y17 PolarHBondContact O-N 3.22Å; Y17-L19 HydrophobicContact CD2-CD2 4.49Å; Y17-L19 HydrophobicContact CD2-CG 4.27Å; Y17-L19 HydrophobicContact CE2-CD1 4.24Å; Y17-L19 HydrophobicContact CE2-CD2 4.03Å; Y17-L19 HydrophobicContact CE2-CG 3.84Å |
| 18 | L | 82.3 | Confident | 69.4 | Low | 109 Ų | 109 | 114.7 Ų | 114.7 | 57% | 0.571 | 59% | 0.591 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -110.5 | 132.3 | 175.9 | -59.7 | 179.7 | 0 | 0 | 0 | 109.9 | V11 P13 L20 | V11-L18 HydrophobicContact CG1-CB 4.12Å; V11-L18 HydrophobicContact CG1-CD1 4.16Å; V11-L18 HydrophobicContact CG1-CD2 4.33Å; V11-L18 HydrophobicContact CG1-CG 4.44Å; P13-L18 HydrophobicContact CB-CD2 3.81Å; L18-L20 HydrophobicContact CB-CD1 4.27Å |
| 19 | L | 73.5 | Confident | 67.9 | Low | 75 Ų | 75 | 114 Ų | 114 | 39% | 0.393 | 60% | 0.596 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.8 | 124.8 | 170.6 | -74.3 | 166.8 | 0 | 0 | 0 | 109.5 | V11 I12 K14 Y17 | V11-L19 WeakPolarHBondContact CA-O 3.49Å; I12-L19 HydrophobicContact CB-CB 4.4Å; I12-L19 PolarHBondContact N-O 3.38Å; I12-L19 PolarHBondContact O-N 3.28Å; K14-L19 HydrophobicContact CG-CD1 4.05Å; Y17-L19 HydrophobicContact CD2-CD2 4.49Å; Y17-L19 HydrophobicContact CD2-CG 4.27Å; Y17-L19 HydrophobicContact CE2-CD1 4.24Å; Y17-L19 HydrophobicContact CE2-CD2 4.03Å; Y17-L19 HydrophobicContact CE2-CG 3.84Å |
| 20 | L | 80.1 | Confident | 66.2 | Low | 109 Ų | 109 | 117.4 Ų | 117.4 | 57% | 0.571 | 61% | 0.613 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -102.9 | 119.9 | 174.1 | -81.9 | 66.5 | 0 | 0 | 0 | 108 | L9 V11 L18 | L9-L20 HydrophobicContact CD2-CB 4.02Å; L9-L20 HydrophobicContact CD2-CD2 3.54Å; L9-L20 HydrophobicContact CD2-CG 3.86Å; V11-L20 HydrophobicContact CG2-CG 4.43Å; L18-L20 HydrophobicContact CB-CD1 4.27Å |
| 21 | L | 68.2 | Low | 64.2 | Low | 80 Ų | 80 | 120.3 Ų | 120.3 | 42% | 0.419 | 63% | 0.625 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.5 | 124.8 | 173.7 | -65.7 | 166.5 | 0 | 0 | 0 | 108.3 | K10 I12 F23 | K10-L21 PolarHBondContact N-O 3.07Å; K10-L21 PolarHBondContact O-N 3.22Å; I12-L21 HydrophobicContact CD1-CD1 3.88Å; L21-F23 HydrophobicContact CB-CE2 3.97Å |
| 22 | D | 74.8 | Confident | 62.1 | Low | 103 Ų | 103 | 122.7 Ų | 122.7 | 55% | 0.551 | 64% | 0.64 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -85.7 | 144.6 | 167.4 | 58.7 | -5.4 | 0 | 0 | 0 | 110 | ||
| 23 | F | 52.7 | Low | 59.9 | Low | 128 Ų | 128 | 124.7 Ų | 124.7 | 56% | 0.561 | 66% | 0.659 | S | S | * | * | trans | -122.6 | 17.2 | -179.2 | -77.9 | -84.7 | 0 | 0 | 0 | 111.9 | K10 L21 | K10-F23 HydrophobicContact CB-CD2 4.18Å; K10-F23 HydrophobicContact CB-CE2 3.7Å; K10-F23 HydrophobicContact CD-CE2 4.29Å; L21-F23 HydrophobicContact CB-CE2 3.97Å | ||
| 24 | D | 62.8 | Low | 57.7 | Low | 97 Ų | 97 | 129 Ų | 129 | 52% | 0.519 | 67% | 0.671 | S | S | . | * | trans | -96 | 6.5 | 178.5 | -86.7 | -23 | 0 | 0 | 0 | 113.4 | E26 | D24-E26 PolarHBondContact O-N 2.94Š| ||
| 25 | D | 53 | Low | 55.2 | Low | 128 Ų | 128 | 132.8 Ų | 132.8 | 68% | 0.684 | 69% | 0.69 | S | S | * | * | trans | -93.3 | 73.4 | 164.2 | -88.8 | -5.6 | 0 | 0 | 0 | 109.2 | ||||
| 26 | E | 51.5 | Low | 53.4 | Low | 168 Ų | 168 | 127.9 Ų | 127.9 | 79% | 0.785 | 68% | 0.683 | S | S | * | * | trans | -85.9 | 114.8 | 146.4 | -69.2 | -87.9 | 163.4 | 0 | 0 | 104.2 | D24 | D24-E26 PolarHBondContact O-N 2.94Š| ||
| 27 | D | 45.3 | Very low | 50.8 | Low | 134 Ų | 134 | 132 Ų | 132 | 72% | 0.717 | 68% | 0.684 | S | S | * | * | S | Bend | trans | 78.4 | 85.2 | -179.7 | -46.4 | -38.5 | 0 | 0 | 0 | 116 | ||
| 28 | D | 41.8 | Very low | 48.6 | Very low | 133 Ų | 133 | 130.1 Ų | 130.1 | 71% | 0.711 | 69% | 0.691 | S | S | * | * | 156.8 | 121.1 | 108.4 | -80.9 | -26.6 | 0 | 0 | 0 | 110.9 | |||||
| 29 | D | 40 | Very low | 46.2 | Very low | 149 Ų | 149 | 134 Ų | 134 | 80% | 0.797 | 71% | 0.707 | S | S | * | * | trans | 9.1 | 121.6 | 159.6 | -62.8 | -37.9 | 0 | 0 | 0 | 117.4 | K31 | D29-K31 VanDerWaalsContact C-N 3.3Å; D29-K31 PolarHBondContact O-N 3.14Å | ||
| 30 | I | 39 | Very low | 44.5 | Very low | 165 Ų | 165 | 137 Ų | 137 | 85% | 0.846 | 73% | 0.727 | S | S | * | * | trans | -37.5 | 90.6 | 167.5 | -57 | 172.1 | 0 | 0 | 0 | 110.3 | V32 | I30-V32 HydrophobicContact CG2-CG2 4.03Å; I30-V32 PolarHBondContact O-N 3.36Å; I30-V32 VanDerWaalsContact O-N 3.12Å | ||
| 31 | K | 33.7 | Very low | 42.4 | Very low | 190 Ų | 190 | 141.3 Ų | 141.3 | 83% | 0.826 | 74% | 0.742 | S | S | * | * | trans | -86.8 | 91.6 | 177.5 | -140.3 | -179.5 | -171.9 | -175.7 | 0 | 106.4 | D29 S33 | D29-K31 VanDerWaalsContact C-N 3.3Å; D29-K31 PolarHBondContact O-N 3.14Å; K31-S33 PolarHBondContact O-N 3.26Å | ||
| 32 | V | 35.7 | Very low | 40.9 | Very low | 126 Ų | 126 | 142.1 Ų | 142.1 | 76% | 0.764 | 75% | 0.754 | S | S | * | * | trans | -66.2 | 84.2 | 164.4 | -176.6 | 0 | 0 | 0 | 0 | 106.8 | I30 E34 | I30-V32 HydrophobicContact CG2-CG2 4.03Å; I30-V32 PolarHBondContact O-N 3.36Å; I30-V32 VanDerWaalsContact O-N 3.12Å; V32-E34 PolarHBondContact O-N 2.91Å | ||
| 33 | S | 32.1 | Very low | 38.9 | Very low | 100 Ų | 100 | 142.8 Ų | 142.8 | 70% | 0.699 | 76% | 0.764 | S | S | * | * | trans | -83.4 | 93.7 | 167.8 | 53.3 | 0 | 0 | 0 | 0 | 108.3 | K31 E35 | K31-S33 PolarHBondContact O-N 3.26Å; S33-E35 PolarHBondContact O-N 2.74Å | ||
| 34 | E | 32.7 | Very low | 37.9 | Very low | 188 Ų | 188 | 141.1 Ų | 141.1 | 88% | 0.879 | 77% | 0.774 | S | S | * | * | trans | -71.6 | 94 | 155.7 | -173.6 | 177.8 | -167.6 | 0 | 0 | 107.2 | V32 | V32-E34 PolarHBondContact O-N 2.91Š| ||
| 35 | E | 29.9 | Very low | 36.5 | Very low | 192 Ų | 192 | 146.3 Ų | 146.3 | 90% | 0.897 | 79% | 0.792 | S | S | * | * | trans | -146.2 | 132.2 | 163.4 | -129.7 | 178.6 | -168.5 | 0 | 0 | 111 | S33 | S33-E35 PolarHBondContact O-N 2.74Š| ||
| 36 | A | 31.4 | Very low | 35.7 | Very low | 91 Ų | 91 | 147 Ų | 147 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | trans | -73.5 | -179 | -167.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 37 | L | 28.2 | Very low | 35 | Very low | 170 Ų | 170 | 149.2 Ų | 149.2 | 89% | 0.89 | 80% | 0.803 | S | S | * | * | trans | 106.6 | 117.3 | 176.7 | -56.9 | 179.4 | 0 | 0 | 0 | 111.5 | ||||
| 38 | S | 31.9 | Very low | 34.3 | Very low | 98 Ų | 98 | 149.4 Ų | 149.4 | 69% | 0.685 | 80% | 0.804 | S | S | * | * | cis | -168.6 | 137.7 | 19.8 | 42.9 | 0 | 0 | 0 | 0 | 110.5 | V40 | S38-V40 PolarHBondContact O-N 2.93Š| ||
| 39 | E | 31.7 | Very low | 33.9 | Very low | 191 Ų | 191 | 151.1 Ų | 151.1 | 89% | 0.893 | 81% | 0.808 | S | S | * | * | 42 | 78.4 | 124 | -148.2 | 160.7 | -157.4 | 0 | 0 | 118.3 | |||||
| 40 | V | 37.2 | Very low | 33.6 | Very low | 137 Ų | 137 | 150.6 Ų | 150.6 | 83% | 0.83 | 81% | 0.805 | S | S | * | * | trans | -120.4 | 103.4 | 146.6 | 176.3 | 0 | 0 | 0 | 0 | 108.5 | S38 S42 | S38-V40 PolarHBondContact O-N 2.93Å; V40-S42 PolarHBondContact O-N 3.42Å | ||
| 41 | K | 37.9 | Very low | 33.3 | Very low | 200 Ų | 200 | 150.5 Ų | 150.5 | 87% | 0.87 | 80% | 0.804 | S | S | * | * | trans | -52.1 | 97.6 | 165.6 | -173.9 | 165 | -176.3 | 165.9 | 0 | 109.5 | ||||
| 42 | S | 36.3 | Very low | 33.4 | Very low | 97 Ų | 97 | 145.2 Ų | 145.2 | 68% | 0.678 | 79% | 0.791 | S | S | * | * | trans | -68 | 144.6 | 163.7 | 40.7 | 0 | 0 | 0 | 0 | 109.8 | V40 | V40-S42 PolarHBondContact O-N 3.42Š| ||
| 43 | P | 32.5 | Very low | 33.3 | Very low | 116 Ų | 116 | 145.2 Ų | 145.2 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | trans | -70.5 | 145.1 | -177.1 | 29.3 | -32.8 | 0 | 0 | 0 | 110.6 | F45 | P43-F45 PolarHBondContact O-N 3.26Å; P43-F45 VanDerWaalsContact O-N 3.11Å | ||
| 44 | A | 30.8 | Very low | 33.1 | Very low | 93 Ų | 93 | 148.3 Ų | 148.3 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | trans | -49.2 | 112.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 45 | F | 34.4 | Very low | 33.1 | Very low | 207 Ų | 207 | 143.8 Ų | 143.8 | 91% | 0.908 | 79% | 0.792 | S | S | * | * | trans | -105.4 | 126.5 | 150.9 | -107.5 | -90.5 | 0 | 0 | 0 | 107.2 | P43 | P43-F45 PolarHBondContact O-N 3.26Å; P43-F45 VanDerWaalsContact O-N 3.11Å | ||
| 46 | D | 35.2 | Very low | 33.2 | Very low | 143 Ų | 143 | 142.3 Ų | 142.3 | 77% | 0.765 | 79% | 0.785 | S | S | * | * | trans | -60.9 | 147.2 | -164.4 | -74.6 | -58.3 | 0 | 0 | 0 | 114.1 | N48 | D46-N48 PolarHBondContact O-N 3.4Š| ||
| 47 | K | 37.7 | Very low | 33.3 | Very low | 214 Ų | 214 | 141.5 Ų | 141.5 | 93% | 0.93 | 78% | 0.778 | S | S | * | * | trans | -64.9 | 95.4 | 168.8 | -62.8 | 177.8 | 177.9 | 179.6 | 0 | 109.6 | ||||
| 48 | N | 31.3 | Very low | 33.6 | Very low | 138 Ų | 138 | 140.6 Ų | 140.6 | 74% | 0.738 | 77% | 0.774 | S | S | * | * | trans | -149.5 | 146.4 | 141.1 | 74.8 | 33.5 | 0 | 0 | 0 | 105.4 | D46 | D46-N48 PolarHBondContact O-N 3.4Š| ||
| 49 | E | 33.5 | Very low | 34 | Very low | 169 Ų | 169 | 144.4 Ų | 144.4 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | cis | -149.8 | 144.3 | 3.8 | -162.9 | 164 | -169.6 | 0 | 0 | 104.4 | I51 | E49-I51 PolarHBondContact O-N 2.92Š| ||
| 50 | N | 32.2 | Very low | 34.5 | Very low | 138 Ų | 138 | 142.1 Ų | 142.1 | 74% | 0.738 | 78% | 0.776 | S | S | * | * | trans | -59.7 | 101.3 | -178.3 | -168.9 | 11.3 | 0 | 0 | 0 | 109.8 | S52 | N50-S52 PolarHBondContact OD1-N 3.42Å; N50-S52 PolarHBondContact OD1-OG 2.94Å; N50-S52 VanDerWaalsContact OD1-OG 3.06Å | ||
| 51 | I | 34.3 | Very low | 34.8 | Very low | 163 Ų | 163 | 143.7 Ų | 143.7 | 84% | 0.836 | 78% | 0.776 | S | S | * | * | trans | -106.1 | 60.6 | 161 | -39.8 | 177 | 0 | 0 | 0 | 107.4 | E49 | E49-I51 PolarHBondContact O-N 2.92Š| ||
| 52 | S | 35.1 | Very low | 34.6 | Very low | 79 Ų | 79 | 136.4 Ų | 136.4 | 55% | 0.552 | 76% | 0.758 | S | S | * | * | trans | -67.8 | 140.2 | 150.2 | -66.8 | 0 | 0 | 0 | 0 | 107 | N50 Q54 | N50-S52 PolarHBondContact OD1-N 3.42Å; N50-S52 PolarHBondContact OD1-OG 2.94Å; N50-S52 VanDerWaalsContact OD1-OG 3.06Å; S52-Q54 PolarHBondContact O-N 2.85Å | ||
| 53 | P | 33.5 | Very low | 34.7 | Very low | 126 Ų | 126 | 139.7 Ų | 139.7 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | trans | -69.7 | 104.7 | -168 | 22.4 | -21.1 | 0 | 0 | 0 | 109 | A55 | P53-A55 PolarHBondContact O-N 3.31Å; P53-A55 VanDerWaalsContact O-N 3.16Å | ||
| 54 | Q | 27.4 | Very low | 35.1 | Very low | 164 Ų | 164 | 143 Ų | 143 | 77% | 0.766 | 77% | 0.773 | S | S | * | * | trans | -66.3 | 115 | 163.3 | -91 | -170.9 | -99.6 | 0 | 0 | 107.5 | S52 E56 | S52-Q54 PolarHBondContact O-N 2.85Å; Q54-E56 VanDerWaalsContact C-N 3.3Å; Q54-E56 PolarHBondContact O-N 2.91Å | ||
| 55 | A | 32.9 | Very low | 35.5 | Very low | 94 Ų | 94 | 145.3 Ų | 145.3 | 78% | 0.777 | 78% | 0.777 | S | S | * | * | trans | -54.3 | 99 | 151.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | P53 | P53-A55 PolarHBondContact O-N 3.31Å; P53-A55 VanDerWaalsContact O-N 3.16Å | ||
| 56 | E | 32.7 | Very low | 35.7 | Very low | 160 Ų | 160 | 143.5 Ų | 143.5 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | trans | -102 | 100.5 | 150.2 | -64.7 | -174.7 | 179.3 | 0 | 0 | 102.4 | Q54 | Q54-E56 VanDerWaalsContact C-N 3.3Å; Q54-E56 PolarHBondContact O-N 2.91Å | ||
| 57 | A | 33.7 | Very low | 36.1 | Very low | 74 Ų | 74 | 142 Ų | 142 | 61% | 0.612 | 78% | 0.778 | S | S | * | * | 40.5 | 113.6 | 61.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 58 | D | 32.7 | Very low | 36.1 | Very low | 151 Ų | 151 | 139.5 Ų | 139.5 | 81% | 0.807 | 77% | 0.773 | S | S | * | * | trans | 91.2 | 72.8 | 169.3 | -44.9 | -22.3 | 0 | 0 | 0 | 116.7 | ||||
| 59 | E | 42.2 | Very low | 36.3 | Very low | 179 Ų | 179 | 141.4 Ų | 141.4 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | -122.4 | 84.5 | 125 | -75 | -162.6 | -171.7 | 0 | 0 | 108.2 | M61 | E59-M61 PolarHBondContact O-N 3.42Š| |||
| 60 | D | 40.5 | Very low | 36.2 | Very low | 143 Ų | 143 | 139.6 Ų | 139.6 | 77% | 0.765 | 78% | 0.778 | S | S | * | * | trans | -24.9 | 93 | 141.1 | 176.5 | 28.5 | 0 | 0 | 0 | 112.1 | ||||
| 61 | M | 45 | Very low | 36.3 | Very low | 169 Ų | 169 | 141.5 Ų | 141.5 | 83% | 0.833 | 78% | 0.78 | S | S | * | * | trans | -106.5 | 88.5 | 158.9 | -68.9 | -64.1 | -82.9 | 0 | 0 | 105.9 | E59 | E59-M61 PolarHBondContact O-N 3.42Š| ||
| 62 | G | 32.6 | Very low | 36.4 | Very low | 48 Ų | 48 | 139.4 Ų | 139.4 | 50% | 0.495 | 78% | 0.78 | S | S | . | * | trans | -47.2 | 148 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 63 | D | 37.8 | Very low | 36.3 | Very low | 165 Ų | 165 | 144.3 Ų | 144.3 | 88% | 0.882 | 79% | 0.794 | S | S | * | * | trans | 46.3 | 75.6 | 136.1 | -62.9 | -13 | 0 | 0 | 0 | 117.5 | ||||
| 64 | E | 41.8 | Very low | 36.3 | Very low | 185 Ų | 185 | 143.9 Ų | 143.9 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -161.3 | 42.3 | 139.4 | -141.5 | 175.9 | 176.2 | 0 | 0 | 115.3 | ||
| 65 | V | 38.9 | Very low | 36.6 | Very low | 143 Ų | 143 | 143.2 Ų | 143.2 | 87% | 0.867 | 79% | 0.79 | S | S | * | * | trans | -140.9 | 30.9 | 163.8 | -67 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 66 | D | 38.3 | Very low | 36.5 | Very low | 168 Ų | 168 | 145.6 Ų | 145.6 | 90% | 0.898 | 79% | 0.79 | S | S | * | * | trans | -93.6 | 92 | 161.5 | -99.8 | -8.3 | 0 | 0 | 0 | 108.7 | ||||
| 67 | S | 43.8 | Very low | 36.7 | Very low | 111 Ų | 111 | 143.9 Ų | 143.9 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -171.5 | -3.7 | 149.7 | -162.4 | 0 | 0 | 0 | 0 | 117.8 | ||
| 68 | I | 38.3 | Very low | 36.8 | Very low | 163 Ų | 163 | 145 Ų | 145 | 84% | 0.836 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -137.1 | 32.2 | -174.3 | -35.1 | 179.7 | 0 | 0 | 0 | 114.8 | ||
| 69 | L | 35.2 | Very low | 36.8 | Very low | 178 Ų | 178 | 145.5 Ų | 145.5 | 93% | 0.932 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -141.3 | 51.9 | 167.7 | -136.6 | 134.2 | 0 | 0 | 0 | 112.3 | ||
| 70 | D | 31.2 | Very low | 36.2 | Very low | 130 Ų | 130 | 140.3 Ų | 140.3 | 70% | 0.695 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -146 | 131.5 | 158.1 | -160.3 | 13.4 | 0 | 0 | 0 | 111.3 | ||
| 71 | K | 35.2 | Very low | 36 | Very low | 178 Ų | 178 | 142.8 Ų | 142.8 | 77% | 0.774 | 80% | 0.801 | S | S | * | * | trans | 74.1 | 84.6 | 165.8 | -41 | -167.1 | -170.7 | -176.5 | 0 | 119.6 | ||||
| 72 | S | 35 | Very low | 35.5 | Very low | 120 Ų | 120 | 141.3 Ų | 141.3 | 84% | 0.839 | 80% | 0.797 | S | S | * | * | -146.5 | 86.9 | 121.2 | 66.4 | 0 | 0 | 0 | 0 | 109.4 | V74 | S72-V74 PolarHBondContact O-N 3.32Š| |||
| 73 | E | 34.1 | Very low | 35.8 | Very low | 181 Ų | 181 | 148.2 Ų | 148.2 | 85% | 0.846 | 82% | 0.816 | S | S | * | * | trans | -50.5 | 132.5 | 162 | -82.5 | 174 | 134.9 | 0 | 0 | 110.3 | N75 | E73-N75 PolarHBondContact O-N 2.87Š| ||
| 74 | V | 33.6 | Very low | 35.6 | Very low | 117 Ų | 117 | 147.3 Ų | 147.3 | 71% | 0.709 | 81% | 0.811 | S | S | * | * | trans | -54.6 | 100.4 | 169.3 | 175.6 | 0 | 0 | 0 | 0 | 109.4 | S72 | S72-V74 PolarHBondContact O-N 3.32Š| ||
| 75 | N | 33.3 | Very low | 35.4 | Very low | 150 Ų | 150 | 144.6 Ų | 144.6 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | trans | -104.6 | 96 | 158.6 | -86.4 | -41.2 | 0 | 0 | 0 | 108.2 | E73 P77 | E73-N75 PolarHBondContact O-N 2.87Å; N75-P77 WeakPolarHBondContact O-CD 3.25Å | ||
| 76 | N | 30 | Very low | 35.2 | Very low | 145 Ų | 145 | 143 Ų | 143 | 78% | 0.775 | 80% | 0.803 | S | S | * | * | trans | -79.9 | 115.6 | 165.8 | -80.7 | -34.9 | 0 | 0 | 0 | 109 | ||||
| 77 | P | 37.7 | Very low | 35.4 | Very low | 124 Ų | 124 | 140.2 Ų | 140.2 | 81% | 0.805 | 79% | 0.794 | S | S | * | * | trans | -85.7 | 115.7 | 159.2 | 14.3 | 2.7 | 0 | 0 | 0 | 108.9 | N75 I79 | N75-P77 WeakPolarHBondContact O-CD 3.25Å; P77-I79 PolarHBondContact O-N 3.47Å | ||
| 78 | A | 36 | Very low | 35 | Very low | 97 Ų | 97 | 143.7 Ų | 143.7 | 80% | 0.802 | 80% | 0.798 | S | S | * | * | trans | -67.1 | 121.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 79 | I | 32.4 | Very low | 35.4 | Very low | 162 Ų | 162 | 142.1 Ų | 142.1 | 83% | 0.831 | 80% | 0.795 | S | S | * | * | trans | 29.9 | 111.8 | 132.8 | -70.9 | 165 | 0 | 0 | 0 | 117.6 | P77 | P77-I79 PolarHBondContact O-N 3.47Š| ||
| 80 | G | 30.8 | Very low | 35.8 | Very low | 70 Ų | 70 | 143.5 Ų | 143.5 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | trans | -146.6 | 96.4 | 146 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 81 | K | 36.2 | Very low | 36.7 | Very low | 194 Ų | 194 | 139.8 Ų | 139.8 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | 50.8 | 100.5 | 107.7 | -69 | -167.2 | 178.6 | -174.6 | 0 | 112.8 | |||||
| 82 | D | 32.8 | Very low | 37.9 | Very low | 139 Ų | 139 | 137.3 Ų | 137.3 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | 107.2 | 101.9 | 76.2 | -170.2 | 13.1 | 0 | 0 | 0 | 107 | |||||
| 83 | E | 40.1 | Very low | 39.3 | Very low | 193 Ų | 193 | 139.8 Ų | 139.8 | 90% | 0.902 | 78% | 0.78 | S | S | * | * | trans | -158.3 | 115.4 | 143.6 | -115.4 | 176.2 | -167.3 | 0 | 0 | 109.6 | T85 | E83-T85 PolarHBondContact O-N 3.22Š| ||
| 84 | N | 34.2 | Very low | 41.2 | Very low | 145 Ų | 145 | 137.3 Ų | 137.3 | 78% | 0.775 | 77% | 0.772 | S | S | * | * | trans | -50.3 | 126 | 170.5 | -88.6 | -48 | 0 | 0 | 0 | 111.8 | ||||
| 85 | T | 36.6 | Very low | 43.4 | Very low | 128 Ų | 128 | 138.3 Ų | 138.3 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | trans | -143.8 | 113.3 | 138.4 | -62.6 | 0 | 0 | 0 | 0 | 106.3 | E83 P87 | E83-T85 PolarHBondContact O-N 3.22Å; T85-P87 VanDerWaalsContact O-CD 3.27Å; T85-P87 WeakPolarHBondContact O-CD 3.38Å | ||
| 86 | S | 35.7 | Very low | 45.8 | Very low | 110 Ų | 110 | 133.4 Ų | 133.4 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | trans | -88.3 | 109.9 | 171 | 178.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 87 | P | 41.3 | Very low | 48.4 | Very low | 109 Ų | 109 | 133.2 Ų | 133.2 | 71% | 0.708 | 75% | 0.75 | S | S | * | * | trans | -90.2 | 131.6 | 166.2 | 3.1 | 19.4 | 0 | 0 | 0 | 108.6 | T85 V89 | T85-P87 VanDerWaalsContact O-CD 3.27Å; T85-P87 WeakPolarHBondContact O-CD 3.38Å; P87-V89 PolarHBondContact O-N 3.44Å | ||
| 88 | Q | 36.1 | Very low | 50.8 | Low | 185 Ų | 185 | 132.1 Ų | 132.1 | 86% | 0.864 | 73% | 0.734 | S | S | * | * | trans | -58.2 | 122.6 | 175.9 | -69.6 | 173.4 | -18 | 0 | 0 | 112.2 | ||||
| 89 | V | 45.5 | Very low | 53.3 | Low | 129 Ų | 129 | 131.3 Ų | 131.3 | 78% | 0.782 | 72% | 0.719 | S | S | * | * | trans | 17.8 | 99.6 | 141.7 | -170.8 | 0 | 0 | 0 | 0 | 115.7 | P87 | P87-V89 PolarHBondContact O-N 3.44Š| ||
| 90 | K | 44.8 | Very low | 56 | Low | 208 Ų | 208 | 124.9 Ų | 124.9 | 90% | 0.904 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -151.7 | 95.7 | 150.9 | -107.9 | 179.1 | -175.9 | 179.1 | 0 | 109.4 | ||
| 91 | G | 49.6 | Very low | 58.8 | Low | 51 Ų | 51 | 123.4 Ų | 123.4 | 53% | 0.526 | 67% | 0.671 | S | S | . | * | trans | 78.6 | 64 | 158.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | E93 | G91-E93 PolarHBondContact O-N 3.34Š| ||
| 92 | D | 59.4 | Low | 61.4 | Low | 127 Ų | 127 | 118.7 Ų | 118.7 | 68% | 0.679 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | 6 | 166.5 | -63.1 | -37 | 0 | 0 | 0 | 113.6 | G96 | D92-G96 PolarHBondContact O-N 2.92Š|
| 93 | E | 65.5 | Low | 64.3 | Low | 171 Ų | 171 | 117.5 Ų | 117.5 | 80% | 0.799 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -68.6 | -32.5 | -176.9 | -62.7 | -178.9 | -173 | 0 | 0 | 112.5 | G91 H97 | G91-E93 PolarHBondContact O-N 3.34Å; E93-H97 PolarHBondContact O-N 2.77Å |
| 94 | D | 74.6 | Confident | 66.8 | Low | 130 Ų | 130 | 113.8 Ų | 113.8 | 70% | 0.695 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -74.7 | -43.7 | -178.2 | -166.4 | 34.3 | 0 | 0 | 0 | 112.2 | G96 H97 E98 | D94-G96 VanDerWaalsContact C-N 3.3Å; D94-G96 PolarHBondContact O-N 2.77Å; D94-H97 PolarHBondContact O-N 2.9Å; D94-E98 PolarHBondContact O-N 2.87Å; D94-E98 VanDerWaalsContact O-N 3.07Å |
| 95 | M | 78.6 | Confident | 69.6 | Low | 138 Ų | 138 | 113.1 Ų | 113.1 | 68% | 0.68 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -63.5 | -36.9 | 172.6 | -74.6 | -164.3 | -171.2 | 0 | 0 | 111.8 | H97 E98 V99 | M95-H97 VanDerWaalsContact C-N 3.32Å; M95-H97 PolarHBondContact O-N 3.38Å; M95-E98 PolarHBondContact O-N 3.5Å; M95-V99 WeakPolarHBondContact O-CB 3.26Å; M95-V99 VanDerWaalsContact O-CG2 3.26Å; M95-V99 WeakPolarHBondContact O-CG2 3.4Å; M95-V99 PolarHBondContact O-N 2.92Å |
| 96 | G | 83.3 | Confident | 72.3 | Confident | 47 Ų | 47 | 110 Ų | 110 | 49% | 0.485 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -61 | -40.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | D92 D94 G100 | D92-G96 PolarHBondContact O-N 2.92Å; D94-G96 VanDerWaalsContact C-N 3.3Å; D94-G96 PolarHBondContact O-N 2.77Å; G96-G100 PolarHBondContact O-N 2.92Å |
| 97 | H | 85.5 | Confident | 75.1 | Confident | 140 Ų | 140 | 106.6 Ų | 106.6 | 65% | 0.648 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -69.4 | -43.4 | 176.2 | -179.2 | -92.1 | 0 | 0 | 0 | 112.3 | E93 D94 M95 G100 S101 | E93-H97 PolarHBondContact O-N 2.77Å; D94-H97 PolarHBondContact O-N 2.9Å; M95-H97 VanDerWaalsContact C-N 3.32Å; M95-H97 PolarHBondContact O-N 3.38Å; H97-G100 PolarHBondContact O-N 2.85Å; H97-S101 WeakPolarHBondContact O-CB 3.27Å; H97-S101 PolarHBondContact O-N 2.72Å |
| 98 | E | 88.1 | Confident | 77.6 | Confident | 102 Ų | 102 | 105.9 Ų | 105.9 | 48% | 0.477 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -60.4 | -52.3 | 176.4 | -177.3 | 176 | -169.5 | 0 | 0 | 111.4 | D94 M95 G100 S101 M102 | D94-E98 PolarHBondContact O-N 2.87Å; D94-E98 VanDerWaalsContact O-N 3.07Å; M95-E98 PolarHBondContact O-N 3.5Å; E98-G100 VanDerWaalsContact C-N 3.32Å; E98-G100 PolarHBondContact O-N 3.44Å; E98-S101 PolarHBondContact O-N 2.94Å; E98-S101 VanDerWaalsContact O-N 3.15Å; E98-S101 PolarHBondContact O-OG 2.93Å; E98-M102 HydrophobicContact CG-CE 3.63Å; E98-M102 HydrophobicContact CG-SD 4.3Å; E98-M102 WeakPolarHBondContact O-CG 3.22Å; E98-M102 PolarHBondContact O-N 2.98Å; E98-M102 WeakPolarHBondContact OE1-CE 3.43Å |
| 99 | V | 88.4 | Confident | 80.4 | Confident | 80 Ų | 80 | 101.2 Ų | 101.2 | 49% | 0.485 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -60.4 | -43 | 178.3 | 174 | 0 | 0 | 0 | 0 | 110.7 | M95 S101 M102 L103 | M95-V99 WeakPolarHBondContact O-CB 3.26Å; M95-V99 VanDerWaalsContact O-CG2 3.26Å; M95-V99 WeakPolarHBondContact O-CG2 3.4Å; M95-V99 PolarHBondContact O-N 2.92Å; V99-S101 PolarHBondContact O-N 3.47Å; V99-M102 PolarHBondContact O-N 3.46Å; V99-L103 HydrophobicContact CG1-CD1 3.91Å; V99-L103 HydrophobicContact CG1-CG 4.27Å; V99-L103 WeakPolarHBondContact O-CB 3.49Å; V99-L103 VanDerWaalsContact O-CG 3.26Å; V99-L103 WeakPolarHBondContact O-CG 3.45Å; V99-L103 PolarHBondContact O-N 3.42Å |
| 100 | G | 89.5 | Confident | 82.8 | Confident | 27 Ų | 27 | 100.1 Ų | 100.1 | 28% | 0.278 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -56.6 | -48.1 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | G96 H97 E98 M102 L103 D104 | G96-G100 PolarHBondContact O-N 2.92Å; H97-G100 PolarHBondContact O-N 2.85Å; E98-G100 VanDerWaalsContact C-N 3.32Å; E98-G100 PolarHBondContact O-N 3.44Å; G100-M102 VanDerWaalsContact C-N 3.34Å; G100-M102 PolarHBondContact O-N 3.2Å; G100-L103 PolarHBondContact O-N 3.47Å; G100-D104 PolarHBondContact O-N 2.87Å |
| 101 | S | 90.1 | Very high | 85.3 | Confident | 38 Ų | 38 | 97.4 Ų | 97.4 | 27% | 0.266 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65 | -34.5 | 178.5 | 81.3 | 0 | 0 | 0 | 0 | 113.4 | H97 E98 V99 K105 | H97-S101 WeakPolarHBondContact O-CB 3.27Å; H97-S101 PolarHBondContact O-N 2.72Å; E98-S101 PolarHBondContact O-N 2.94Å; E98-S101 VanDerWaalsContact O-N 3.15Å; E98-S101 PolarHBondContact O-OG 2.93Å; V99-S101 PolarHBondContact O-N 3.47Å; S101-K105 WeakPolarHBondContact O-CD 3.43Å; S101-K105 VanDerWaalsContact O-CG 3.25Å; S101-K105 WeakPolarHBondContact O-CG 3.26Å; S101-K105 PolarHBondContact O-N 3.38Å; S101-K105 VanDerWaalsContact O-N 3.14Å |
| 102 | M | 89.6 | Confident | 87.5 | Confident | 96 Ų | 96 | 100.1 Ų | 100.1 | 47% | 0.473 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -70.7 | -39.4 | 175.9 | -72.1 | -177.9 | 179.3 | 0 | 0 | 111.4 | E98 V99 G100 S106 | E98-M102 HydrophobicContact CG-CE 3.63Å; E98-M102 HydrophobicContact CG-SD 4.3Å; E98-M102 WeakPolarHBondContact O-CG 3.22Å; E98-M102 PolarHBondContact O-N 2.98Å; E98-M102 WeakPolarHBondContact OE1-CE 3.43Å; V99-M102 PolarHBondContact O-N 3.46Å; G100-M102 VanDerWaalsContact C-N 3.34Å; G100-M102 PolarHBondContact O-N 3.2Å; M102-S106 VanDerWaalsContact O-CB 3.31Å; M102-S106 WeakPolarHBondContact O-CB 3.08Å; M102-S106 PolarHBondContact O-N 3.03Å; M102-S106 PolarHBondContact O-OG 3.04Å |
| 103 | L | 93.1 | Very high | 89.3 | Confident | 113 Ų | 113 | 98.4 Ų | 98.4 | 59% | 0.592 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -67.5 | -41.1 | 176.3 | -71.8 | 174.2 | 0 | 0 | 0 | 111.7 | V99 G100 S106 G107 | V99-L103 HydrophobicContact CG1-CD1 3.91Å; V99-L103 HydrophobicContact CG1-CG 4.27Å; V99-L103 WeakPolarHBondContact O-CB 3.49Å; V99-L103 VanDerWaalsContact O-CG 3.26Å; V99-L103 WeakPolarHBondContact O-CG 3.45Å; V99-L103 PolarHBondContact O-N 3.42Å; G100-L103 PolarHBondContact O-N 3.47Å; L103-S106 PolarHBondContact O-N 3.44Å; L103-G107 PolarHBondContact O-N 2.81Å |
| 104 | D | 92.9 | Very high | 90.9 | Very high | 115 Ų | 115 | 95 Ų | 95 | 62% | 0.615 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.2 | -47.6 | 175.5 | -77.9 | -13.9 | 0 | 0 | 0 | 111.2 | G100 S106 G107 D108 | G100-D104 PolarHBondContact O-N 2.87Å; D104-S106 PolarHBondContact O-N 2.81Å; D104-G107 PolarHBondContact O-N 3.43Å; D104-D108 WeakPolarHBondContact O-CB 3.15Å; D104-D108 PolarHBondContact O-N 2.97Å |
| 105 | K | 93.9 | Very high | 92 | Very high | 132 Ų | 132 | 92.2 Ų | 92.2 | 57% | 0.574 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -58.4 | -46.3 | 174.3 | -72.5 | 169.2 | -175 | 170.4 | 0 | 112 | S101 G107 D108 D109 | S101-K105 WeakPolarHBondContact O-CD 3.43Å; S101-K105 VanDerWaalsContact O-CG 3.25Å; S101-K105 WeakPolarHBondContact O-CG 3.26Å; S101-K105 PolarHBondContact O-N 3.38Å; S101-K105 VanDerWaalsContact O-N 3.14Å; K105-G107 VanDerWaalsContact C-N 3.32Å; K105-G107 PolarHBondContact O-N 3.26Å; K105-D108 PolarHBondContact O-N 2.87Å; K105-D109 WeakPolarHBondContact O-CB 3.31Å; K105-D109 VanDerWaalsContact O-CG 3.28Å; K105-D109 PolarHBondContact O-N 3.32Å |
| 106 | S | 92.2 | Very high | 92.9 | Very high | 62 Ų | 62 | 91.3 Ų | 91.3 | 43% | 0.434 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.2 | -40.6 | 177.9 | -60.5 | 0 | 0 | 0 | 0 | 111.3 | M102 L103 D104 D109 I110 | M102-S106 VanDerWaalsContact O-CB 3.31Å; M102-S106 WeakPolarHBondContact O-CB 3.08Å; M102-S106 PolarHBondContact O-N 3.03Å; M102-S106 PolarHBondContact O-OG 3.04Å; L103-S106 PolarHBondContact O-N 3.44Å; D104-S106 PolarHBondContact O-N 2.81Å; S106-D109 PolarHBondContact O-N 2.91Å; S106-I110 WeakPolarHBondContact O-CB 3.35Å; S106-I110 WeakPolarHBondContact O-CD1 3.33Å; S106-I110 WeakPolarHBondContact O-CG1 3.31Å; S106-I110 PolarHBondContact O-N 2.9Å |
| 107 | G | 94.4 | Very high | 93.6 | Very high | 38 Ų | 38 | 94.6 Ų | 94.6 | 39% | 0.392 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.9 | -45 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L103 D104 K105 I110 Y111 | L103-G107 PolarHBondContact O-N 2.81Å; D104-G107 PolarHBondContact O-N 3.43Å; K105-G107 VanDerWaalsContact C-N 3.32Å; K105-G107 PolarHBondContact O-N 3.26Å; G107-I110 PolarHBondContact O-N 3.13Å; G107-Y111 WeakPolarHBondContact O-CB 3.33Å; G107-Y111 PolarHBondContact O-N 3.02Å |
| 108 | D | 94.8 | Very high | 94.2 | Very high | 94 Ų | 94 | 94.1 Ų | 94.1 | 50% | 0.503 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.6 | -44 | 175.5 | -83.7 | -9.4 | 0 | 0 | 0 | 112.1 | D104 K105 Y111 K112 | D104-D108 WeakPolarHBondContact O-CB 3.15Å; D104-D108 PolarHBondContact O-N 2.97Å; K105-D108 PolarHBondContact O-N 2.87Å; D108-Y111 PolarHBondContact O-N 3.27Å; D108-K112 WeakPolarHBondContact O-CB 3.38Å; D108-K112 WeakPolarHBondContact O-CG 3.25Å; D108-K112 PolarHBondContact O-N 3.32Å |
| 109 | D | 94.9 | Very high | 94.7 | Very high | 88 Ų | 88 | 94 Ų | 94 | 47% | 0.471 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -69.1 | -39.5 | -179.6 | -70.4 | -17.1 | 0 | 0 | 0 | 111.6 | K105 S106 K112 T113 | K105-D109 WeakPolarHBondContact O-CB 3.31Å; K105-D109 VanDerWaalsContact O-CG 3.28Å; K105-D109 PolarHBondContact O-N 3.32Å; S106-D109 PolarHBondContact O-N 2.91Å; D109-K112 IonicContact OD1-NZ 3.56Å; D109-T113 VanDerWaalsContact O-CB 3.25Å; D109-T113 WeakPolarHBondContact O-CB 3.26Å; D109-T113 PolarHBondContact O-N 3.47Å; D109-T113 PolarHBondContact O-OG1 2.97Å |
| 110 | I | 95.5 | Very high | 95.1 | Very high | 105 Ų | 105 | 98.2 Ų | 98.2 | 54% | 0.538 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61 | -47.3 | 170.7 | -69.2 | 163.6 | 0 | 0 | 0 | 110 | S106 G107 T113 L114 | S106-I110 WeakPolarHBondContact O-CB 3.35Å; S106-I110 WeakPolarHBondContact O-CD1 3.33Å; S106-I110 WeakPolarHBondContact O-CG1 3.31Å; S106-I110 PolarHBondContact O-N 2.9Å; G107-I110 PolarHBondContact O-N 3.13Å; I110-T113 PolarHBondContact O-N 2.94Å; I110-L114 HydrophobicContact CG2-CD1 3.75Å; I110-L114 HydrophobicContact CG2-CG 4.24Å; I110-L114 WeakPolarHBondContact O-CB 3.38Å; I110-L114 VanDerWaalsContact O-CG 3.26Å; I110-L114 WeakPolarHBondContact O-CG 3.37Å; I110-L114 PolarHBondContact O-N 3.48Å |
| 111 | Y | 97 | Very high | 95.5 | Very high | 151 Ų | 151 | 100.7 Ų | 100.7 | 59% | 0.592 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60.6 | -48.1 | 179.5 | 178.7 | -92.3 | 0 | 0 | 0 | 111.8 | G107 D108 L114 H115 | G107-Y111 WeakPolarHBondContact O-CB 3.33Å; G107-Y111 PolarHBondContact O-N 3.02Å; D108-Y111 PolarHBondContact O-N 3.27Å; Y111-L114 PolarHBondContact O-N 2.85Å; Y111-H115 VanDerWaalsContact O-CB 3.31Å; Y111-H115 WeakPolarHBondContact O-CB 3.43Å; Y111-H115 PolarHBondContact O-N 3.08Å |
| 112 | K | 96.9 | Very high | 95.9 | Very high | 108 Ų | 108 | 103.2 Ų | 103.2 | 47% | 0.47 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.6 | -47.6 | 176.9 | -71.5 | 167 | -164.9 | 160.6 | 0 | 111.3 | D108 D109 L114 H115 I116 | D108-K112 WeakPolarHBondContact O-CB 3.38Å; D108-K112 WeakPolarHBondContact O-CG 3.25Å; D108-K112 PolarHBondContact O-N 3.32Å; D109-K112 IonicContact OD1-NZ 3.56Å; K112-L114 PolarHBondContact O-N 3.13Å; K112-H115 PolarHBondContact O-N 3.46Å; K112-I116 WeakPolarHBondContact O-CG1 3.44Å; K112-I116 PolarHBondContact O-N 2.9Å |
| 113 | T | 97.1 | Very high | 96.3 | Very high | 91 Ų | 91 | 101.8 Ų | 101.8 | 56% | 0.558 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.8 | -46.2 | 179.1 | -58.6 | 0 | 0 | 0 | 0 | 111.2 | D109 I110 H115 I116 K117 | D109-T113 VanDerWaalsContact O-CB 3.25Å; D109-T113 WeakPolarHBondContact O-CB 3.26Å; D109-T113 PolarHBondContact O-N 3.47Å; D109-T113 PolarHBondContact O-OG1 2.97Å; I110-T113 PolarHBondContact O-N 2.94Å; T113-H115 VanDerWaalsContact C-N 3.34Å; T113-H115 PolarHBondContact O-N 3.21Å; T113-I116 PolarHBondContact O-N 2.97Å; T113-K117 WeakPolarHBondContact O-CB 3.34Å; T113-K117 PolarHBondContact O-N 3.39Å |
| 114 | L | 97.6 | Very high | 96.5 | Very high | 99 Ų | 99 | 102.8 Ų | 102.8 | 52% | 0.518 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.8 | -37.2 | 176.4 | -72.8 | 176.3 | 0 | 0 | 0 | 112.3 | I110 Y111 K112 R118 | I110-L114 HydrophobicContact CG2-CD1 3.75Å; I110-L114 HydrophobicContact CG2-CG 4.24Å; I110-L114 WeakPolarHBondContact O-CB 3.38Å; I110-L114 VanDerWaalsContact O-CG 3.26Å; I110-L114 WeakPolarHBondContact O-CG 3.37Å; I110-L114 PolarHBondContact O-N 3.48Å; Y111-L114 PolarHBondContact O-N 2.85Å; K112-L114 PolarHBondContact O-N 3.13Å; L114-R118 WeakPolarHBondContact O-CB 3.36Å; L114-R118 PolarHBondContact O-N 2.96Å |
| 115 | H | 97.7 | Very high | 96.8 | Very high | 73 Ų | 73 | 101.8 Ų | 101.8 | 34% | 0.338 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.1 | -46.8 | 177.2 | -168 | 81.8 | 0 | 0 | 0 | 111.6 | Y111 K112 T113 R118 K119 | Y111-H115 VanDerWaalsContact O-CB 3.31Å; Y111-H115 WeakPolarHBondContact O-CB 3.43Å; Y111-H115 PolarHBondContact O-N 3.08Å; K112-H115 PolarHBondContact O-N 3.46Å; T113-H115 VanDerWaalsContact C-N 3.34Å; T113-H115 PolarHBondContact O-N 3.21Å; H115-R118 PolarHBondContact O-N 2.76Å; H115-K119 WeakPolarHBondContact O-CG 3.44Å; H115-K119 PolarHBondContact O-N 3.46Å |
| 116 | I | 97.7 | Very high | 96.9 | Very high | 118 Ų | 118 | 103.1 Ų | 103.1 | 61% | 0.605 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.4 | -49.5 | 175.6 | -67.2 | 165.5 | 0 | 0 | 0 | 110.1 | K112 T113 R118 K119 W120 | K112-I116 WeakPolarHBondContact O-CG1 3.44Å; K112-I116 PolarHBondContact O-N 2.9Å; T113-I116 PolarHBondContact O-N 2.97Å; I116-R118 VanDerWaalsContact C-N 3.3Å; I116-R118 PolarHBondContact O-N 3.46Å; I116-K119 PolarHBondContact O-N 3.4Å; I116-K119 VanDerWaalsContact O-N 3.13Å; I116-W120 PolarHBondContact O-N 2.87Å |
| 117 | K | 98.3 | Very high | 97.2 | Very high | 117 Ų | 117 | 106.3 Ų | 106.3 | 51% | 0.509 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58 | -41.7 | 177.9 | -173.7 | 172.1 | -170.7 | -78.4 | 0 | 112 | T113 M121 | T113-K117 WeakPolarHBondContact O-CB 3.34Å; T113-K117 PolarHBondContact O-N 3.39Å; K117-M121 HydrophobicContact CG-CE 4.26Å; K117-M121 HydrophobicContact CG-SD 4.44Å; K117-M121 VanDerWaalsContact O-CG 3.31Å; K117-M121 WeakPolarHBondContact O-CG 3.41Å; K117-M121 PolarHBondContact O-N 3.37Å |
| 118 | R | 98.2 | Very high | 97.3 | Very high | 129 Ų | 129 | 107.1 Ų | 107.1 | 49% | 0.487 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.6 | -48.7 | 175.1 | -175.2 | -171.9 | -59.8 | 160.2 | 3 | 111.3 | L114 H115 I116 W120 M121 E122 | L114-R118 WeakPolarHBondContact O-CB 3.36Å; L114-R118 PolarHBondContact O-N 2.96Å; H115-R118 PolarHBondContact O-N 2.76Å; I116-R118 VanDerWaalsContact C-N 3.3Å; I116-R118 PolarHBondContact O-N 3.46Å; R118-W120 VanDerWaalsContact C-N 3.32Å; R118-W120 PolarHBondContact O-N 2.92Å; R118-M121 PolarHBondContact O-N 3.04Å; R118-E122 WeakPolarHBondContact CD-OE1 3.31Å; R118-E122 HydrophobicContact CG-CG 4.36Å; R118-E122 WeakPolarHBondContact CG-OE1 3.46Å; R118-E122 WeakPolarHBondContact O-CB 3.46Å; R118-E122 WeakPolarHBondContact O-CG 3.33Å; R118-E122 PolarHBondContact O-N 3.05Å |
| 119 | K | 98.4 | Very high | 97.4 | Very high | 99 Ų | 99 | 108.8 Ų | 108.8 | 43% | 0.43 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.7 | -40.3 | -179.9 | -75.6 | -73.7 | 160.5 | -145.6 | 0 | 112.5 | H115 I116 E122 T123 | H115-K119 WeakPolarHBondContact O-CG 3.44Å; H115-K119 PolarHBondContact O-N 3.46Å; I116-K119 PolarHBondContact O-N 3.4Å; I116-K119 VanDerWaalsContact O-N 3.13Å; K119-E122 IonicContact NZ-OE2 2.81Å; K119-E122 PolarHBondContact NZ-OE2 3.05Å; K119-T123 WeakPolarHBondContact O-CB 3.33Å; K119-T123 PolarHBondContact O-N 3.21Å; K119-T123 PolarHBondContact O-OG1 2.62Å |
| 120 | W | 98 | Very high | 97.6 | Very high | 169 Ų | 169 | 111.8 Ų | 111.8 | 64% | 0.64 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.5 | -49.2 | 174.2 | -179.1 | 79.2 | 0 | 0 | 0 | 111.7 | I116 R118 E122 T123 Y124 | I116-W120 PolarHBondContact O-N 2.87Å; R118-W120 VanDerWaalsContact C-N 3.32Å; R118-W120 PolarHBondContact O-N 2.92Å; W120-E122 PolarHBondContact O-N 3.09Å; W120-T123 PolarHBondContact O-N 3.16Å; W120-Y124 WeakPolarHBondContact O-CB 3.32Å; W120-Y124 PolarHBondContact O-N 3.02Å |
| 121 | M | 98.3 | Very high | 97.6 | Very high | 80 Ų | 80 | 108.8 Ų | 108.8 | 39% | 0.394 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62 | -43.1 | 177.2 | -69.8 | -177.2 | -53.2 | 0 | 0 | 112.7 | K117 R118 T123 Y124 V125 | K117-M121 HydrophobicContact CG-CE 4.26Å; K117-M121 HydrophobicContact CG-SD 4.44Å; K117-M121 VanDerWaalsContact O-CG 3.31Å; K117-M121 WeakPolarHBondContact O-CG 3.41Å; K117-M121 PolarHBondContact O-N 3.37Å; R118-M121 PolarHBondContact O-N 3.04Å; M121-T123 VanDerWaalsContact C-N 3.31Å; M121-T123 PolarHBondContact O-N 2.93Å; M121-Y124 PolarHBondContact O-N 3.49Å; M121-V125 WeakPolarHBondContact O-CB 3.37Å; M121-V125 VanDerWaalsContact O-CG2 3.3Å; M121-V125 WeakPolarHBondContact O-CG2 3.26Å; M121-V125 PolarHBondContact O-N 2.99Å |
| 122 | E | 97.9 | Very high | 97.6 | Very high | 91 Ų | 91 | 105.1 Ų | 105.1 | 43% | 0.425 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -57.6 | -45 | 176 | -77.6 | 172.8 | -172.7 | 0 | 0 | 111.2 | R118 K119 W120 K126 | R118-E122 WeakPolarHBondContact CD-OE1 3.31Å; R118-E122 HydrophobicContact CG-CG 4.36Å; R118-E122 WeakPolarHBondContact CG-OE1 3.46Å; R118-E122 WeakPolarHBondContact O-CB 3.46Å; R118-E122 WeakPolarHBondContact O-CG 3.33Å; R118-E122 PolarHBondContact O-N 3.05Å; K119-E122 IonicContact NZ-OE2 2.81Å; K119-E122 PolarHBondContact NZ-OE2 3.05Å; W120-E122 PolarHBondContact O-N 3.09Å; E122-K126 VanDerWaalsContact O-CB 3.26Å; E122-K126 WeakPolarHBondContact O-CB 3.3Å; E122-K126 PolarHBondContact O-N 3.29Å; E122-K126 VanDerWaalsContact O-N 3.08Å |
| 123 | T | 98 | Very high | 97.7 | Very high | 66 Ų | 66 | 103 Ų | 103 | 41% | 0.405 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.1 | -49.2 | 180 | -55.8 | 0 | 0 | 0 | 0 | 110.9 | K119 W120 M121 V125 K126 E127 | K119-T123 WeakPolarHBondContact O-CB 3.33Å; K119-T123 PolarHBondContact O-N 3.21Å; K119-T123 PolarHBondContact O-OG1 2.62Å; W120-T123 PolarHBondContact O-N 3.16Å; M121-T123 VanDerWaalsContact C-N 3.31Å; M121-T123 PolarHBondContact O-N 2.93Å; T123-V125 PolarHBondContact O-N 2.83Å; T123-K126 WeakPolarHBondContact O-CB 3.45Å; T123-K126 PolarHBondContact O-N 3.44Å; T123-K126 VanDerWaalsContact O-N 3.13Å; T123-E127 HydrophobicContact CG2-CG 4.41Å; T123-E127 WeakPolarHBondContact O-CG 3.17Å; T123-E127 PolarHBondContact O-N 3Å |
| 124 | Y | 97.5 | Very high | 97.8 | Very high | 134 Ų | 134 | 102.7 Ų | 102.7 | 53% | 0.525 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -55.6 | -47.5 | 178 | 176.3 | -97.9 | 0 | 0 | 0 | 112.3 | W120 M121 E127 S128 | W120-Y124 WeakPolarHBondContact O-CB 3.32Å; W120-Y124 PolarHBondContact O-N 3.02Å; M121-Y124 PolarHBondContact O-N 3.49Å; Y124-E127 PolarHBondContact O-N 3.26Å; Y124-S128 VanDerWaalsContact O-CB 3.25Å; Y124-S128 WeakPolarHBondContact O-CB 3.25Å; Y124-S128 PolarHBondContact O-N 2.86Å; Y124-S128 PolarHBondContact O-OG 3.44Å |
| 125 | V | 97.8 | Very high | 97.8 | Very high | 94 Ų | 94 | 105.8 Ų | 105.8 | 57% | 0.57 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.4 | -42.7 | 178 | 170.7 | 0 | 0 | 0 | 0 | 110.9 | M121 T123 S128 F129 | M121-V125 WeakPolarHBondContact O-CB 3.37Å; M121-V125 VanDerWaalsContact O-CG2 3.3Å; M121-V125 WeakPolarHBondContact O-CG2 3.26Å; M121-V125 PolarHBondContact O-N 2.99Å; T123-V125 PolarHBondContact O-N 2.83Å; V125-S128 PolarHBondContact O-N 2.9Å; V125-F129 WeakPolarHBondContact O-CB 3.23Å; V125-F129 PolarHBondContact O-N 3.41Å |
| 126 | K | 97.8 | Very high | 97.8 | Very high | 160 Ų | 160 | 107 Ų | 107 | 70% | 0.696 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62 | -44.8 | 179.5 | -177.9 | -177.6 | 179.9 | -174.4 | 0 | 111.9 | E122 T123 K130 | E122-K126 VanDerWaalsContact O-CB 3.26Å; E122-K126 WeakPolarHBondContact O-CB 3.3Å; E122-K126 PolarHBondContact O-N 3.29Å; E122-K126 VanDerWaalsContact O-N 3.08Å; T123-K126 WeakPolarHBondContact O-CB 3.45Å; T123-K126 PolarHBondContact O-N 3.44Å; T123-K126 VanDerWaalsContact O-N 3.13Å; K126-K130 WeakPolarHBondContact O-CB 3.29Å; K126-K130 PolarHBondContact O-N 3.17Å |
| 127 | E | 97 | Very high | 97.8 | Very high | 128 Ų | 128 | 106.2 Ų | 106.2 | 60% | 0.598 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -68.7 | -44.2 | 179 | -71.4 | 175.2 | 171.3 | 0 | 0 | 111.6 | T123 Y124 F129 K130 G131 | T123-E127 HydrophobicContact CG2-CG 4.41Å; T123-E127 WeakPolarHBondContact O-CG 3.17Å; T123-E127 PolarHBondContact O-N 3Å; Y124-E127 PolarHBondContact O-N 3.26Å; E127-F129 VanDerWaalsContact C-N 3.32Å; E127-F129 PolarHBondContact O-N 2.94Å; E127-K130 PolarHBondContact O-N 3.46Å; E127-G131 PolarHBondContact O-N 3.4Å |
| 128 | S | 97 | Very high | 97.9 | Very high | 55 Ų | 55 | 108.3 Ų | 108.3 | 39% | 0.385 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -56.5 | -46.4 | 174.9 | -63.1 | 0 | 0 | 0 | 0 | 111.5 | Y124 V125 S132 | Y124-S128 VanDerWaalsContact O-CB 3.25Å; Y124-S128 WeakPolarHBondContact O-CB 3.25Å; Y124-S128 PolarHBondContact O-N 2.86Å; Y124-S128 PolarHBondContact O-OG 3.44Å; V125-S128 PolarHBondContact O-N 2.9Å; S128-S132 VanDerWaalsContact O-CB 3.22Å; S128-S132 WeakPolarHBondContact O-CB 3.41Å; S128-S132 PolarHBondContact O-N 2.97Å |
| 129 | F | 97.5 | Very high | 97.9 | Very high | 130 Ų | 130 | 108.5 Ų | 108.5 | 57% | 0.57 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -69.8 | -37.2 | 179.6 | -162.9 | -116.4 | 0 | 0 | 0 | 112.2 | V125 E127 N133 | V125-F129 WeakPolarHBondContact O-CB 3.23Å; V125-F129 PolarHBondContact O-N 3.41Å; E127-F129 VanDerWaalsContact C-N 3.32Å; E127-F129 PolarHBondContact O-N 2.94Å; F129-N133 WeakPolarHBondContact CD1-ND2 3.22Å; F129-N133 WeakPolarHBondContact CE1-ND2 3.5Å; F129-N133 VanDerWaalsContact CZ-ND2 3.32Å; F129-N133 WeakPolarHBondContact CZ-ND2 3.24Å; F129-N133 VanDerWaalsContact O-CB 3.23Å; F129-N133 WeakPolarHBondContact O-CB 3.34Å; F129-N133 PolarHBondContact O-N 3.06Å; F129-N133 PolarHBondContact O-ND2 3.29Å |
| 130 | K | 98 | Very high | 97.9 | Very high | 151 Ų | 151 | 106.8 Ų | 106.8 | 66% | 0.657 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.2 | -50.2 | 176.7 | -175.4 | -177.4 | 178 | -171.3 | 0 | 111.6 | K126 E127 Q134 | K126-K130 WeakPolarHBondContact O-CB 3.29Å; K126-K130 PolarHBondContact O-N 3.17Å; E127-K130 PolarHBondContact O-N 3.46Å; K130-Q134 WeakPolarHBondContact O-CB 3.32Å; K130-Q134 PolarHBondContact O-N 3.18Å |
| 131 | G | 96.1 | Very high | 97.9 | Very high | 41 Ų | 41 | 103.9 Ų | 103.9 | 42% | 0.423 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.9 | -45.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | E127 Q134 K135 | E127-G131 PolarHBondContact O-N 3.4Å; G131-Q134 PolarHBondContact O-N 3.12Å; G131-K135 PolarHBondContact O-N 3.41Å |
| 132 | S | 97.8 | Very high | 97.9 | Very high | 74 Ų | 74 | 102.8 Ų | 102.8 | 52% | 0.517 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.9 | -47.1 | 177.9 | -173.2 | 0 | 0 | 0 | 0 | 112.4 | S128 Q134 K135 L136 | S128-S132 VanDerWaalsContact O-CB 3.22Å; S128-S132 WeakPolarHBondContact O-CB 3.41Å; S128-S132 PolarHBondContact O-N 2.97Å; S132-Q134 PolarHBondContact O-N 3.37Å; S132-K135 WeakPolarHBondContact O-CB 3.34Å; S132-K135 PolarHBondContact O-N 2.93Å; S132-L136 PolarHBondContact O-N 3.44Å |
| 133 | N | 98.2 | Very high | 98 | Very high | 64 Ų | 64 | 101.9 Ų | 101.9 | 34% | 0.342 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.5 | -40.2 | 178.5 | -77 | -10.4 | 0 | 0 | 0 | 112.8 | F129 K135 L136 E137 | F129-N133 WeakPolarHBondContact CD1-ND2 3.22Å; F129-N133 WeakPolarHBondContact CE1-ND2 3.5Å; F129-N133 VanDerWaalsContact CZ-ND2 3.32Å; F129-N133 WeakPolarHBondContact CZ-ND2 3.24Å; F129-N133 VanDerWaalsContact O-CB 3.23Å; F129-N133 WeakPolarHBondContact O-CB 3.34Å; F129-N133 PolarHBondContact O-N 3.06Å; F129-N133 PolarHBondContact O-ND2 3.29Å; N133-K135 VanDerWaalsContact C-N 3.29Å; N133-K135 PolarHBondContact O-N 3.46Å; N133-L136 PolarHBondContact O-N 3.43Å; N133-E137 WeakPolarHBondContact O-CB 3.36Å; N133-E137 PolarHBondContact O-N 2.88Å |
| 134 | Q | 98.4 | Very high | 98 | Very high | 84 Ų | 84 | 105.3 Ų | 105.3 | 39% | 0.393 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.1 | -38.4 | 176.2 | -177.3 | 176.8 | -9.6 | 0 | 0 | 111.4 | K130 G131 S132 R138 | K130-Q134 WeakPolarHBondContact O-CB 3.32Å; K130-Q134 PolarHBondContact O-N 3.18Å; G131-Q134 PolarHBondContact O-N 3.12Å; S132-Q134 PolarHBondContact O-N 3.37Å; Q134-R138 WeakPolarHBondContact O-CB 2.9Å; Q134-R138 VanDerWaalsContact O-CG 3.29Å; Q134-R138 WeakPolarHBondContact O-CG 3.48Å; Q134-R138 PolarHBondContact O-N 2.88Å; Q134-R138 VanDerWaalsContact O-N 3.09Å |
| 135 | K | 98.1 | Very high | 98 | Very high | 164 Ų | 164 | 106.3 Ų | 106.3 | 71% | 0.713 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.8 | -45.3 | 174.6 | -172.2 | 175.9 | -179 | 177.4 | 0 | 111.3 | G131 S132 N133 R138 F139 | G131-K135 PolarHBondContact O-N 3.41Å; S132-K135 WeakPolarHBondContact O-CB 3.34Å; S132-K135 PolarHBondContact O-N 2.93Å; N133-K135 VanDerWaalsContact C-N 3.29Å; N133-K135 PolarHBondContact O-N 3.46Å; K135-R138 PolarHBondContact O-N 3.4Å; K135-F139 WeakPolarHBondContact O-CB 3.47Å; K135-F139 PolarHBondContact O-N 3.44Å |
| 136 | L | 98.2 | Very high | 98.1 | Very high | 99 Ų | 99 | 107.1 Ų | 107.1 | 52% | 0.518 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.7 | -45.8 | 176.8 | 179.8 | 61.4 | 0 | 0 | 0 | 111.6 | S132 N133 R138 F139 C140 | S132-L136 PolarHBondContact O-N 3.44Å; N133-L136 PolarHBondContact O-N 3.43Å; L136-R138 PolarHBondContact O-N 2.96Å; L136-F139 PolarHBondContact O-N 2.96Å; L136-C140 WeakPolarHBondContact O-CB 3.46Å; L136-C140 PolarHBondContact O-N 3.24Å; L136-C140 PolarHBondContact O-SG 3.4Å |
| 137 | E | 98.4 | Very high | 98.1 | Very high | 102 Ų | 102 | 107.9 Ų | 107.9 | 48% | 0.477 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.9 | -45.6 | 178.7 | -174.3 | -174.5 | -178.6 | 0 | 0 | 111.6 | N133 C140 K141 | N133-E137 WeakPolarHBondContact O-CB 3.36Å; N133-E137 PolarHBondContact O-N 2.88Å; E137-C140 PolarHBondContact O-N 3.03Å; E137-K141 HydrophobicContact CG-CD 4.26Å; E137-K141 WeakPolarHBondContact O-CB 3.42Å; E137-K141 WeakPolarHBondContact O-CG 3.43Å; E137-K141 PolarHBondContact O-N 2.91Å; E137-K141 VanDerWaalsContact OE1-CE 3.24Å; E137-K141 WeakPolarHBondContact OE1-CE 3.47Å; E137-K141 IonicContact OE1-NZ 2.62Å; E137-K141 PolarHBondContact OE1-NZ 3.17Å |
| 138 | R | 98.5 | Very high | 98.2 | Very high | 160 Ų | 160 | 108.4 Ų | 108.4 | 60% | 0.604 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.6 | -46 | 175.5 | -74.5 | 174.9 | 178.5 | -176.5 | -1.1 | 111.5 | Q134 K135 L136 K141 T142 | Q134-R138 WeakPolarHBondContact O-CB 2.9Å; Q134-R138 VanDerWaalsContact O-CG 3.29Å; Q134-R138 WeakPolarHBondContact O-CG 3.48Å; Q134-R138 PolarHBondContact O-N 2.88Å; Q134-R138 VanDerWaalsContact O-N 3.09Å; K135-R138 PolarHBondContact O-N 3.4Å; L136-R138 PolarHBondContact O-N 2.96Å; R138-K141 PolarHBondContact O-N 2.9Å; R138-T142 WeakPolarHBondContact O-CB 3.4Å; R138-T142 PolarHBondContact O-N 3.4Å; R138-T142 PolarHBondContact O-OG1 2.88Å |
| 139 | F | 98.3 | Very high | 98.3 | Very high | 134 Ų | 134 | 109.6 Ų | 109.6 | 59% | 0.588 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59.4 | -50.1 | 177.7 | 175.3 | -98.7 | 0 | 0 | 0 | 111.4 | K135 L136 K141 T142 N143 | K135-F139 WeakPolarHBondContact O-CB 3.47Å; K135-F139 PolarHBondContact O-N 3.44Å; L136-F139 PolarHBondContact O-N 2.96Å; F139-K141 PolarHBondContact O-N 3.11Å; F139-T142 PolarHBondContact O-N 2.88Å; F139-N143 WeakPolarHBondContact O-CB 3.44Å; F139-N143 PolarHBondContact O-N 3.45Å |
| 140 | C | 98.6 | Very high | 98.3 | Very high | 63 Ų | 63 | 109 Ų | 109 | 43% | 0.426 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59 | -46.8 | 179.1 | -71.4 | 0 | 0 | 0 | 0 | 112 | L136 E137 T142 N143 E144 | L136-C140 WeakPolarHBondContact O-CB 3.46Å; L136-C140 PolarHBondContact O-N 3.24Å; L136-C140 PolarHBondContact O-SG 3.4Å; E137-C140 PolarHBondContact O-N 3.03Å; C140-T142 VanDerWaalsContact C-N 3.34Å; C140-T142 PolarHBondContact O-N 3.24Å; C140-N143 PolarHBondContact O-N 3.41Å; C140-E144 WeakPolarHBondContact O-CB 3.35Å; C140-E144 PolarHBondContact O-N 3.49Å |
| 141 | K | 98.7 | Very high | 98.3 | Very high | 108 Ų | 108 | 106.1 Ų | 106.1 | 47% | 0.47 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.3 | -39.8 | 177.9 | -73.6 | 177.6 | -176.5 | 174.5 | 0 | 112.6 | E137 R138 F139 R145 | E137-K141 HydrophobicContact CG-CD 4.26Å; E137-K141 WeakPolarHBondContact O-CB 3.42Å; E137-K141 WeakPolarHBondContact O-CG 3.43Å; E137-K141 PolarHBondContact O-N 2.91Å; E137-K141 VanDerWaalsContact OE1-CE 3.24Å; E137-K141 WeakPolarHBondContact OE1-CE 3.47Å; E137-K141 IonicContact OE1-NZ 2.62Å; E137-K141 PolarHBondContact OE1-NZ 3.17Å; R138-K141 PolarHBondContact O-N 2.9Å; F139-K141 PolarHBondContact O-N 3.11Å; K141-R145 WeakPolarHBondContact O-CB 3.37Å; K141-R145 PolarHBondContact O-N 3.27Å; K141-R145 VanDerWaalsContact O-N 3.12Å |
| 142 | T | 98.7 | Very high | 98.5 | Very high | 57 Ų | 57 | 107.6 Ų | 107.6 | 35% | 0.35 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.5 | -47.9 | 177 | -67.1 | 0 | 0 | 0 | 0 | 111.1 | R138 F139 C140 E144 R145 E146 | R138-T142 WeakPolarHBondContact O-CB 3.4Å; R138-T142 PolarHBondContact O-N 3.4Å; R138-T142 PolarHBondContact O-OG1 2.88Å; F139-T142 PolarHBondContact O-N 2.88Å; C140-T142 VanDerWaalsContact C-N 3.34Å; C140-T142 PolarHBondContact O-N 3.24Å; T142-E144 VanDerWaalsContact C-N 3.34Å; T142-E144 PolarHBondContact O-N 3.33Å; T142-R145 WeakPolarHBondContact O-CB 3.48Å; T142-R145 PolarHBondContact O-N 2.87Å; T142-E146 HydrophobicContact CG2-CG 4.5Å; T142-E146 WeakPolarHBondContact O-CG 3.36Å; T142-E146 PolarHBondContact O-N 3.32Å |
| 143 | N | 98.6 | Very high | 98.5 | Very high | 71 Ų | 71 | 109.6 Ų | 109.6 | 38% | 0.38 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.6 | -41.3 | 177.8 | -179 | 58.9 | 0 | 0 | 0 | 112.3 | F139 C140 E146 R147 | F139-N143 WeakPolarHBondContact O-CB 3.44Å; F139-N143 PolarHBondContact O-N 3.45Å; C140-N143 PolarHBondContact O-N 3.41Å; N143-E146 PolarHBondContact O-N 3.28Å; N143-R147 WeakPolarHBondContact O-CB 3.37Å; N143-R147 WeakPolarHBondContact O-CG 3.42Å; N143-R147 PolarHBondContact O-N 3.44Å |
| 144 | E | 98.6 | Very high | 98.5 | Very high | 138 Ų | 138 | 111.6 Ų | 111.6 | 65% | 0.645 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.4 | -45.2 | 175 | -173.3 | -174.7 | 171.2 | 0 | 0 | 111.6 | C140 T142 E146 R147 K148 | C140-E144 WeakPolarHBondContact O-CB 3.35Å; C140-E144 PolarHBondContact O-N 3.49Å; T142-E144 VanDerWaalsContact C-N 3.34Å; T142-E144 PolarHBondContact O-N 3.33Å; E144-E146 PolarHBondContact O-N 3.43Å; E144-R147 PolarHBondContact O-N 3.02Å; E144-K148 WeakPolarHBondContact O-CB 3.35Å; E144-K148 PolarHBondContact O-N 3.02Å |
| 145 | R | 98.6 | Very high | 98.5 | Very high | 156 Ų | 156 | 110.1 Ų | 110.1 | 59% | 0.589 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62 | -43.8 | 177.5 | -170 | -170 | -56.3 | 111.4 | 2.8 | 111.7 | K141 T142 K148 N149 | K141-R145 WeakPolarHBondContact O-CB 3.37Å; K141-R145 PolarHBondContact O-N 3.27Å; K141-R145 VanDerWaalsContact O-N 3.12Å; T142-R145 WeakPolarHBondContact O-CB 3.48Å; T142-R145 PolarHBondContact O-N 2.87Å; R145-K148 PolarHBondContact O-N 3.37Å; R145-N149 WeakPolarHBondContact O-CB 3.5Å; R145-N149 PolarHBondContact O-N 3.2Å |
| 146 | E | 98.7 | Very high | 98.5 | Very high | 110 Ų | 110 | 108.1 Ų | 108.1 | 51% | 0.514 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.8 | -47.1 | 178.6 | -74.6 | 177.5 | 177.4 | 0 | 0 | 111.7 | T142 N143 E144 K148 N149 I150 | T142-E146 HydrophobicContact CG2-CG 4.5Å; T142-E146 WeakPolarHBondContact O-CG 3.36Å; T142-E146 PolarHBondContact O-N 3.32Å; N143-E146 PolarHBondContact O-N 3.28Å; E144-E146 PolarHBondContact O-N 3.43Å; E146-K148 VanDerWaalsContact C-N 3.33Å; E146-K148 PolarHBondContact O-N 3.01Å; E146-N149 WeakPolarHBondContact O-CB 3.37Å; E146-N149 PolarHBondContact O-N 2.92Å; E146-I150 WeakPolarHBondContact O-CG1 3.48Å; E146-I150 PolarHBondContact O-N 2.94Å |
| 147 | R | 98.7 | Very high | 98.5 | Very high | 176 Ų | 176 | 109.4 Ų | 109.4 | 66% | 0.664 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -58 | -44.9 | 175 | -75.2 | -178.4 | 63.7 | 105.3 | 1.9 | 111.8 | N143 E144 I150 N151 | N143-R147 WeakPolarHBondContact O-CB 3.37Å; N143-R147 WeakPolarHBondContact O-CG 3.42Å; N143-R147 PolarHBondContact O-N 3.44Å; E144-R147 PolarHBondContact O-N 3.02Å; R147-I150 PolarHBondContact O-N 3.48Å; R147-N151 WeakPolarHBondContact O-CB 3.35Å; R147-N151 PolarHBondContact O-N 3.27Å |
| 148 | K | 98.6 | Very high | 98.5 | Very high | 139 Ų | 139 | 110.2 Ų | 110.2 | 60% | 0.604 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.3 | -42.8 | 176.6 | -174.4 | 175.6 | -179.2 | 175.7 | 0 | 111.7 | E144 R145 E146 N151 N152 | E144-K148 WeakPolarHBondContact O-CB 3.35Å; E144-K148 PolarHBondContact O-N 3.02Å; R145-K148 PolarHBondContact O-N 3.37Å; E146-K148 VanDerWaalsContact C-N 3.33Å; E146-K148 PolarHBondContact O-N 3.01Å; K148-N151 PolarHBondContact O-N 2.86Å; K148-N152 WeakPolarHBondContact O-CB 3.32Å; K148-N152 PolarHBondContact O-N 2.95Å; K148-N152 PolarHBondContact O-OD1 3.5Å |
| 149 | N | 98.6 | Very high | 98.5 | Very high | 81 Ų | 81 | 107 Ų | 107 | 43% | 0.433 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.1 | -46 | 178 | -176.1 | 42.4 | 0 | 0 | 0 | 112 | R145 E146 N152 K153 | R145-N149 WeakPolarHBondContact O-CB 3.5Å; R145-N149 PolarHBondContact O-N 3.2Å; E146-N149 WeakPolarHBondContact O-CB 3.37Å; E146-N149 PolarHBondContact O-N 2.92Å; N149-N152 PolarHBondContact O-N 3.02Å; N149-K153 WeakPolarHBondContact O-CG 3.43Å; N149-K153 PolarHBondContact O-N 2.99Å; N149-K153 WeakPolarHBondContact OD1-CE 3.26Å |
| 150 | I | 98.4 | Very high | 98.5 | Very high | 116 Ų | 116 | 104.9 Ų | 104.9 | 60% | 0.595 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.2 | -47.9 | 176.7 | -67.9 | 166 | 0 | 0 | 0 | 110.3 | E146 R147 N152 K153 F154 | E146-I150 WeakPolarHBondContact O-CG1 3.48Å; E146-I150 PolarHBondContact O-N 2.94Å; R147-I150 PolarHBondContact O-N 3.48Å; I150-N152 PolarHBondContact O-N 2.74Å; I150-K153 PolarHBondContact O-N 2.89Å; I150-F154 WeakPolarHBondContact O-CB 3.49Å; I150-F154 PolarHBondContact O-N 3.41Å |
| 151 | N | 98.5 | Very high | 98.5 | Very high | 92 Ų | 92 | 106.1 Ų | 106.1 | 49% | 0.492 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.4 | -45.1 | 178.9 | -172.9 | 77.5 | 0 | 0 | 0 | 111.8 | R147 K148 F154 C155 | R147-N151 WeakPolarHBondContact O-CB 3.35Å; R147-N151 PolarHBondContact O-N 3.27Å; K148-N151 PolarHBondContact O-N 2.86Å; N151-F154 PolarHBondContact O-N 3.47Å; N151-C155 WeakPolarHBondContact O-CB 3.46Å; N151-C155 PolarHBondContact O-N 2.77Å; N151-C155 PolarHBondContact O-SG 3.35Å |
| 152 | N | 98.6 | Very high | 98.4 | Very high | 71 Ų | 71 | 106.9 Ų | 106.9 | 38% | 0.38 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61 | -48.1 | 178.2 | -74.3 | 0.2 | 0 | 0 | 0 | 111.9 | K148 N149 I150 F154 C155 E156 | K148-N152 WeakPolarHBondContact O-CB 3.32Å; K148-N152 PolarHBondContact O-N 2.95Å; K148-N152 PolarHBondContact O-OD1 3.5Å; N149-N152 PolarHBondContact O-N 3.02Å; I150-N152 PolarHBondContact O-N 2.74Å; N152-F154 VanDerWaalsContact C-N 3.26Å; N152-F154 PolarHBondContact O-N 2.96Å; N152-C155 PolarHBondContact O-N 3.33Å; N152-E156 WeakPolarHBondContact O-CB 3.33Å; N152-E156 WeakPolarHBondContact O-CG 3.35Å; N152-E156 PolarHBondContact O-N 3.44Å |
| 153 | K | 98.3 | Very high | 98.4 | Very high | 116 Ų | 116 | 109.7 Ų | 109.7 | 50% | 0.504 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -57.6 | -41.7 | 177.1 | -74.3 | 178 | 178.3 | -174.1 | 0 | 111.8 | N149 I150 E156 Q157 | N149-K153 WeakPolarHBondContact O-CG 3.43Å; N149-K153 PolarHBondContact O-N 2.99Å; N149-K153 WeakPolarHBondContact OD1-CE 3.26Å; I150-K153 PolarHBondContact O-N 2.89Å; K153-E156 PolarHBondContact O-N 2.93Å; K153-Q157 WeakPolarHBondContact O-CG 3.35Å; K153-Q157 PolarHBondContact O-N 3.35Å |
| 154 | F | 97.9 | Very high | 98.4 | Very high | 107 Ų | 107 | 113 Ų | 113 | 47% | 0.469 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -69.5 | -42.1 | 179.4 | -169.7 | -120.2 | 0 | 0 | 0 | 112.2 | I150 N151 N152 E156 Q157 Y158 | I150-F154 WeakPolarHBondContact O-CB 3.49Å; I150-F154 PolarHBondContact O-N 3.41Å; N151-F154 PolarHBondContact O-N 3.47Å; N152-F154 VanDerWaalsContact C-N 3.26Å; N152-F154 PolarHBondContact O-N 2.96Å; F154-E156 PolarHBondContact O-N 2.92Å; F154-Q157 PolarHBondContact O-N 2.89Å; F154-Y158 AromaticContact CD1-CD2 3.99Å; F154-Y158 HydrophobicContact CD1-CD2 3.99Å; F154-Y158 AromaticContact CD1-CE2 3.82Å; F154-Y158 HydrophobicContact CD1-CE2 3.82Å; F154-Y158 HydrophobicContact CD2-CE2 4.41Å; F154-Y158 AromaticContact CE1-CD2 3.85Å; F154-Y158 HydrophobicContact CE1-CD2 3.85Å; F154-Y158 AromaticContact CE1-CE2 3.19Å; F154-Y158 HydrophobicContact CE1-CE2 3.19Å; F154-Y158 HydrophobicContact CE2-CD2 4.37Å; F154-Y158 AromaticContact CE2-CE2 3.82Å; F154-Y158 HydrophobicContact CE2-CE2 3.82Å; F154-Y158 HydrophobicContact CG-CD2 4.39Å; F154-Y158 HydrophobicContact CG-CE2 4.42Å; F154-Y158 HydrophobicContact CZ-CD2 4.02Å; F154-Y158 AromaticContact CZ-CE2 3.16Å; F154-Y158 HydrophobicContact CZ-CE2 3.16Å; F154-Y158 AromaticContact CZ-CZ 3.74Å; F154-Y158 PolarHBondContact O-N 3.15Å |
| 155 | C | 98.3 | Very high | 98.5 | Very high | 53 Ų | 53 | 109.2 Ų | 109.2 | 36% | 0.358 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.9 | -44.9 | 172.7 | -70.8 | 0 | 0 | 0 | 0 | 111.8 | N151 N152 Q157 Y158 I159 | N151-C155 WeakPolarHBondContact O-CB 3.46Å; N151-C155 PolarHBondContact O-N 2.77Å; N151-C155 PolarHBondContact O-SG 3.35Å; N152-C155 PolarHBondContact O-N 3.33Å; C155-Q157 PolarHBondContact O-N 3.04Å; C155-Y158 PolarHBondContact O-N 3.02Å; C155-I159 VanDerWaalsContact O-CG1 3.26Å; C155-I159 WeakPolarHBondContact O-CG1 3.43Å; C155-I159 PolarHBondContact O-N 3.42Å |
| 156 | E | 98.4 | Very high | 98.5 | Very high | 122 Ų | 122 | 106.3 Ų | 106.3 | 57% | 0.57 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60.7 | -42.8 | 176.8 | -75.4 | 174.3 | -177.1 | 0 | 0 | 112.1 | N152 K153 F154 I159 T160 | N152-E156 WeakPolarHBondContact O-CB 3.33Å; N152-E156 WeakPolarHBondContact O-CG 3.35Å; N152-E156 PolarHBondContact O-N 3.44Å; K153-E156 PolarHBondContact O-N 2.93Å; F154-E156 PolarHBondContact O-N 2.92Å; E156-I159 PolarHBondContact O-N 3.38Å; E156-T160 WeakPolarHBondContact O-CB 3.26Å; E156-T160 PolarHBondContact O-N 3.49Å; E156-T160 PolarHBondContact O-OG1 2.99Å |
| 157 | Q | 98.4 | Very high | 98.5 | Very high | 126 Ų | 126 | 105.9 Ų | 105.9 | 59% | 0.589 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60.8 | -44.8 | 175.4 | -77.5 | 179.4 | -14.1 | 0 | 0 | 111.9 | K153 F154 C155 T161 | K153-Q157 WeakPolarHBondContact O-CG 3.35Å; K153-Q157 PolarHBondContact O-N 3.35Å; F154-Q157 PolarHBondContact O-N 2.89Å; C155-Q157 PolarHBondContact O-N 3.04Å; Q157-T161 WeakPolarHBondContact O-CB 3.33Å; Q157-T161 PolarHBondContact O-N 2.96Å; Q157-T161 PolarHBondContact O-OG1 3.43Å |
| 158 | Y | 98 | Very high | 98.5 | Very high | 118 Ų | 118 | 101.2 Ų | 101.2 | 46% | 0.463 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.6 | -50.4 | 176.4 | -91.7 | -58.5 | 0 | 0 | 0 | 112.1 | F154 C155 T160 T161 F162 | F154-Y158 AromaticContact CD1-CD2 3.99Å; F154-Y158 HydrophobicContact CD1-CD2 3.99Å; F154-Y158 AromaticContact CD1-CE2 3.82Å; F154-Y158 HydrophobicContact CD1-CE2 3.82Å; F154-Y158 HydrophobicContact CD2-CE2 4.41Å; F154-Y158 AromaticContact CE1-CD2 3.85Å; F154-Y158 HydrophobicContact CE1-CD2 3.85Å; F154-Y158 AromaticContact CE1-CE2 3.19Å; F154-Y158 HydrophobicContact CE1-CE2 3.19Å; F154-Y158 HydrophobicContact CE2-CD2 4.37Å; F154-Y158 AromaticContact CE2-CE2 3.82Å; F154-Y158 HydrophobicContact CE2-CE2 3.82Å; F154-Y158 HydrophobicContact CG-CD2 4.39Å; F154-Y158 HydrophobicContact CG-CE2 4.42Å; F154-Y158 HydrophobicContact CZ-CD2 4.02Å; F154-Y158 AromaticContact CZ-CE2 3.16Å; F154-Y158 HydrophobicContact CZ-CE2 3.16Å; F154-Y158 AromaticContact CZ-CZ 3.74Å; F154-Y158 PolarHBondContact O-N 3.15Å; C155-Y158 PolarHBondContact O-N 3.02Å; Y158-T160 VanDerWaalsContact C-N 3.29Å; Y158-T160 PolarHBondContact O-N 2.88Å; Y158-T161 PolarHBondContact O-N 3Å; Y158-T161 VanDerWaalsContact O-N 3.15Å; Y158-F162 HydrophobicContact CD1-CD2 4.18Å; Y158-F162 AromaticContact CD1-CE2 3.58Å; Y158-F162 HydrophobicContact CD1-CE2 3.58Å; Y158-F162 HydrophobicContact CD1-CZ 4.49Å; Y158-F162 HydrophobicContact CE1-CE2 4.26Å; Y158-F162 HydrophobicContact CG-CE2 4.38Å; Y158-F162 WeakPolarHBondContact O-CD2 3.4Å; Y158-F162 PolarHBondContact O-N 3.28Å |
| 159 | I | 98.4 | Very high | 98.5 | Very high | 94 Ų | 94 | 98.2 Ų | 98.2 | 48% | 0.482 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -56.1 | -48 | -179.7 | -69.8 | 164.6 | 0 | 0 | 0 | 110 | C155 E156 T161 F162 Q163 | C155-I159 VanDerWaalsContact O-CG1 3.26Å; C155-I159 WeakPolarHBondContact O-CG1 3.43Å; C155-I159 PolarHBondContact O-N 3.42Å; E156-I159 PolarHBondContact O-N 3.38Å; I159-T161 VanDerWaalsContact C-N 3.34Å; I159-T161 PolarHBondContact O-N 3.32Å; I159-F162 PolarHBondContact O-N 2.91Å; I159-Q163 HydrophobicContact CG2-CG 4.39Å; I159-Q163 WeakPolarHBondContact O-CB 3.46Å; I159-Q163 VanDerWaalsContact O-CG 3.26Å; I159-Q163 WeakPolarHBondContact O-CG 3.17Å; I159-Q163 PolarHBondContact O-N 3.27Å |
| 160 | T | 98.4 | Very high | 98.5 | Very high | 88 Ų | 88 | 100.2 Ų | 100.2 | 54% | 0.54 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.2 | -42.5 | 179.4 | -55.2 | 0 | 0 | 0 | 0 | 111.8 | E156 Y158 K164 | E156-T160 WeakPolarHBondContact O-CB 3.26Å; E156-T160 PolarHBondContact O-N 3.49Å; E156-T160 PolarHBondContact O-OG1 2.99Å; Y158-T160 VanDerWaalsContact C-N 3.29Å; Y158-T160 PolarHBondContact O-N 2.88Å; T160-K164 WeakPolarHBondContact O-CB 3.34Å; T160-K164 PolarHBondContact O-N 3.43Å |
| 161 | T | 98.4 | Very high | 98.5 | Very high | 90 Ų | 90 | 100.2 Ų | 100.2 | 55% | 0.552 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.5 | -44.3 | -180 | -58.6 | 0 | 0 | 0 | 0 | 111.3 | Q157 Y158 I159 K164 S165 | Q157-T161 WeakPolarHBondContact O-CB 3.33Å; Q157-T161 PolarHBondContact O-N 2.96Å; Q157-T161 PolarHBondContact O-OG1 3.43Å; Y158-T161 PolarHBondContact O-N 3Å; Y158-T161 VanDerWaalsContact O-N 3.15Å; I159-T161 VanDerWaalsContact C-N 3.34Å; I159-T161 PolarHBondContact O-N 3.32Å; T161-K164 PolarHBondContact O-N 2.84Å; T161-S165 PolarHBondContact O-N 3.5Å |
| 162 | F | 98.5 | Very high | 98.5 | Very high | 123 Ų | 123 | 102.1 Ų | 102.1 | 54% | 0.539 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68 | -42.8 | 178.5 | -79.5 | -67 | 0 | 0 | 0 | 112.1 | Y158 I159 K164 S165 D166 | Y158-F162 HydrophobicContact CD1-CD2 4.18Å; Y158-F162 AromaticContact CD1-CE2 3.58Å; Y158-F162 HydrophobicContact CD1-CE2 3.58Å; Y158-F162 HydrophobicContact CD1-CZ 4.49Å; Y158-F162 HydrophobicContact CE1-CE2 4.26Å; Y158-F162 HydrophobicContact CG-CE2 4.38Å; Y158-F162 WeakPolarHBondContact O-CD2 3.4Å; Y158-F162 PolarHBondContact O-N 3.28Å; I159-F162 PolarHBondContact O-N 2.91Å; F162-K164 VanDerWaalsContact C-N 3.29Å; F162-K164 PolarHBondContact O-N 2.95Å; F162-S165 WeakPolarHBondContact O-CB 3.43Å; F162-S165 PolarHBondContact O-N 3.12Å; F162-S165 VanDerWaalsContact O-N 3.12Å; F162-D166 PolarHBondContact O-N 3.12Å |
| 163 | Q | 98.7 | Very high | 98.5 | Very high | 116 Ų | 116 | 101.8 Ų | 101.8 | 54% | 0.542 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.2 | -42.2 | 174.6 | -75.2 | 175 | -19.6 | 0 | 0 | 112.1 | I159 D166 M167 | I159-Q163 HydrophobicContact CG2-CG 4.39Å; I159-Q163 WeakPolarHBondContact O-CB 3.46Å; I159-Q163 VanDerWaalsContact O-CG 3.26Å; I159-Q163 WeakPolarHBondContact O-CG 3.17Å; I159-Q163 PolarHBondContact O-N 3.27Å; Q163-D166 PolarHBondContact O-N 3.34Å; Q163-M167 WeakPolarHBondContact O-CG 3.42Å; Q163-M167 PolarHBondContact O-N 2.95Å |
| 164 | K | 98.7 | Very high | 98.5 | Very high | 140 Ų | 140 | 102.6 Ų | 102.6 | 61% | 0.609 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.3 | -45.7 | 174.7 | -174.8 | -177 | 175.5 | -170.2 | 0 | 111.6 | T160 T161 F162 D166 M167 D168 | T160-K164 WeakPolarHBondContact O-CB 3.34Å; T160-K164 PolarHBondContact O-N 3.43Å; T161-K164 PolarHBondContact O-N 2.84Å; F162-K164 VanDerWaalsContact C-N 3.29Å; F162-K164 PolarHBondContact O-N 2.95Å; K164-D166 VanDerWaalsContact C-N 3.32Å; K164-D166 PolarHBondContact O-N 2.83Å; K164-M167 WeakPolarHBondContact O-CB 3.49Å; K164-M167 PolarHBondContact O-N 2.96Å; K164-D168 VanDerWaalsContact O-CG 3.3Å; K164-D168 PolarHBondContact O-N 3.48Å |
| 165 | S | 98.7 | Very high | 98.5 | Very high | 59 Ų | 59 | 104.2 Ų | 104.2 | 41% | 0.413 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58.8 | -43.2 | 176.8 | -174.6 | 0 | 0 | 0 | 0 | 111.8 | T161 F162 D168 V169 | T161-S165 PolarHBondContact O-N 3.5Å; F162-S165 WeakPolarHBondContact O-CB 3.43Å; F162-S165 PolarHBondContact O-N 3.12Å; F162-S165 VanDerWaalsContact O-N 3.12Å; S165-D168 PolarHBondContact O-N 3.1Å; S165-V169 WeakPolarHBondContact O-CG2 3.43Å; S165-V169 PolarHBondContact O-N 2.67Å |
| 166 | D | 98.7 | Very high | 98.5 | Very high | 95 Ų | 95 | 106.8 Ų | 106.8 | 51% | 0.508 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.3 | -42.3 | 178.2 | -71.4 | -21.1 | 0 | 0 | 0 | 111.5 | F162 Q163 K164 D168 V169 Q170 | F162-D166 PolarHBondContact O-N 3.12Å; Q163-D166 PolarHBondContact O-N 3.34Å; K164-D166 VanDerWaalsContact C-N 3.32Å; K164-D166 PolarHBondContact O-N 2.83Å; D166-D168 PolarHBondContact O-N 3.39Å; D166-V169 PolarHBondContact O-N 3.27Å; D166-Q170 WeakPolarHBondContact O-CG 3.38Å; D166-Q170 PolarHBondContact O-N 3.29Å |
| 167 | M | 98.6 | Very high | 98.6 | Very high | 102 Ų | 102 | 106.8 Ų | 106.8 | 50% | 0.502 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.8 | -41.8 | 173.8 | -74.1 | 178.4 | 58.7 | 0 | 0 | 112.4 | Q163 K164 V169 Q170 K171 | Q163-M167 WeakPolarHBondContact O-CG 3.42Å; Q163-M167 PolarHBondContact O-N 2.95Å; K164-M167 WeakPolarHBondContact O-CB 3.49Å; K164-M167 PolarHBondContact O-N 2.96Å; M167-V169 VanDerWaalsContact C-N 3.34Å; M167-Q170 PolarHBondContact O-N 3.29Å; M167-K171 WeakPolarHBondContact O-CG 3.33Å; M167-K171 PolarHBondContact O-N 3.04Å |
| 168 | D | 98.6 | Very high | 98.6 | Very high | 78 Ų | 78 | 108.6 Ų | 108.6 | 42% | 0.417 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.3 | -38.2 | 178.6 | -70.5 | -21.4 | 0 | 0 | 0 | 110.9 | K164 S165 D166 K171 F172 | K164-D168 VanDerWaalsContact O-CG 3.3Å; K164-D168 PolarHBondContact O-N 3.48Å; S165-D168 PolarHBondContact O-N 3.1Å; D166-D168 PolarHBondContact O-N 3.39Å; D168-K171 PolarHBondContact O-N 3.37Å; D168-F172 WeakPolarHBondContact O-CB 3.35Å; D168-F172 PolarHBondContact O-N 3.41Å |
| 169 | V | 98.8 | Very high | 98.6 | Very high | 76 Ų | 76 | 106.7 Ų | 106.7 | 46% | 0.461 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.2 | -41.4 | 173 | 169.2 | 0 | 0 | 0 | 0 | 111.8 | S165 D166 M167 F172 N173 | S165-V169 WeakPolarHBondContact O-CG2 3.43Å; S165-V169 PolarHBondContact O-N 2.67Å; D166-V169 PolarHBondContact O-N 3.27Å; M167-V169 VanDerWaalsContact C-N 3.34Å; V169-F172 PolarHBondContact O-N 3.18Å; V169-N173 PolarHBondContact O-N 3.01Å; V169-N173 PolarHBondContact O-ND2 3.46Å |
| 170 | Q | 98.7 | Very high | 98.6 | Very high | 122 Ų | 122 | 106.2 Ų | 106.2 | 57% | 0.57 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.3 | -50.3 | 175.9 | -74.4 | 176.3 | 1.3 | 0 | 0 | 111.3 | D166 M167 F172 N173 E174 | D166-Q170 WeakPolarHBondContact O-CG 3.38Å; D166-Q170 PolarHBondContact O-N 3.29Å; M167-Q170 PolarHBondContact O-N 3.29Å; Q170-F172 VanDerWaalsContact C-N 3.34Å; Q170-F172 PolarHBondContact O-N 2.94Å; Q170-N173 PolarHBondContact O-N 3.04Å; Q170-N173 VanDerWaalsContact O-N 3.1Å; Q170-E174 PolarHBondContact O-N 3.05Å |
| 171 | K | 98.6 | Very high | 98.6 | Very high | 116 Ų | 116 | 105.4 Ų | 105.4 | 50% | 0.504 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -58.5 | -44.2 | 176.8 | -73 | 176.4 | -178.9 | 176.7 | 0 | 112.5 | M167 D168 N173 E174 E175 | M167-K171 WeakPolarHBondContact O-CG 3.33Å; M167-K171 PolarHBondContact O-N 3.04Å; D168-K171 PolarHBondContact O-N 3.37Å; K171-N173 VanDerWaalsContact C-N 3.28Å; K171-N173 PolarHBondContact O-N 3.36Å; K171-E174 PolarHBondContact O-N 3.42Å; K171-E175 PolarHBondContact O-N 3.23Å |
| 172 | F | 98.6 | Very high | 98.6 | Very high | 132 Ų | 132 | 104.5 Ų | 104.5 | 58% | 0.579 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -59.9 | -40.6 | 176.5 | 175.5 | -99.2 | 0 | 0 | 0 | 111.7 | D168 V169 Q170 E175 K176 | D168-F172 WeakPolarHBondContact O-CB 3.35Å; D168-F172 PolarHBondContact O-N 3.41Å; V169-F172 PolarHBondContact O-N 3.18Å; Q170-F172 VanDerWaalsContact C-N 3.34Å; Q170-F172 PolarHBondContact O-N 2.94Å; F172-E175 PolarHBondContact O-N 3.4Å; F172-K176 HydrophobicContact CE1-CD 4.42Å; F172-K176 WeakPolarHBondContact O-CB 3.47Å; F172-K176 PolarHBondContact O-N 3.31Å |
| 173 | N | 98.7 | Very high | 98.6 | Very high | 65 Ų | 65 | 102.4 Ų | 102.4 | 35% | 0.348 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67 | -39.5 | 178.1 | -80.1 | -40.5 | 0 | 0 | 0 | 112.8 | V169 Q170 K171 K176 E177 | V169-N173 PolarHBondContact O-N 3.01Å; V169-N173 PolarHBondContact O-ND2 3.46Å; Q170-N173 PolarHBondContact O-N 3.04Å; Q170-N173 VanDerWaalsContact O-N 3.1Å; K171-N173 VanDerWaalsContact C-N 3.28Å; K171-N173 PolarHBondContact O-N 3.36Å; N173-K176 PolarHBondContact O-N 2.91Å; N173-K176 PolarHBondContact OD1-NZ 3.48Å; N173-E177 WeakPolarHBondContact O-CB 3.22Å; N173-E177 PolarHBondContact O-N 2.9Å |
| 174 | E | 98.6 | Very high | 98.6 | Very high | 132 Ų | 132 | 101.7 Ų | 101.7 | 62% | 0.617 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.8 | -45.9 | 174.6 | -69.1 | 173 | -171.9 | 0 | 0 | 111.8 | Q170 K171 E177 K178 | Q170-E174 PolarHBondContact O-N 3.05Å; K171-E174 PolarHBondContact O-N 3.42Å; E174-E177 PolarHBondContact O-N 2.96Å; E174-K178 PolarHBondContact O-N 3.4Å |
| 175 | E | 98.5 | Very high | 98.6 | Very high | 141 Ų | 141 | 102.1 Ų | 102.1 | 66% | 0.659 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65 | -42.2 | 177.5 | -174 | 174.1 | -167.5 | 0 | 0 | 111.7 | K171 F172 E177 K178 S179 | K171-E175 PolarHBondContact O-N 3.23Å; F172-E175 PolarHBondContact O-N 3.4Å; E175-E177 PolarHBondContact O-N 3.48Å; E175-K178 PolarHBondContact O-N 3.41Å; E175-S179 PolarHBondContact O-N 3.47Å |
| 176 | K | 98.5 | Very high | 98.5 | Very high | 108 Ų | 108 | 105.8 Ų | 105.8 | 47% | 0.47 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -58.5 | -47.1 | 174.5 | -177.8 | -169.1 | 63.8 | 163.4 | 0 | 111.1 | F172 N173 K178 S179 V180 | F172-K176 HydrophobicContact CE1-CD 4.42Å; F172-K176 WeakPolarHBondContact O-CB 3.47Å; F172-K176 PolarHBondContact O-N 3.31Å; N173-K176 PolarHBondContact O-N 2.91Å; N173-K176 PolarHBondContact OD1-NZ 3.48Å; K176-K178 VanDerWaalsContact C-N 3.35Å; K176-K178 PolarHBondContact O-N 3.22Å; K176-S179 PolarHBondContact O-N 3.01Å; K176-V180 VanDerWaalsContact O-CG2 3.32Å; K176-V180 WeakPolarHBondContact O-CG2 3.39Å; K176-V180 PolarHBondContact O-N 3.16Å |
| 177 | E | 98.6 | Very high | 98.5 | Very high | 122 Ų | 122 | 106.3 Ų | 106.3 | 57% | 0.57 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.1 | -43.7 | 178.7 | -176.1 | 178 | 178.6 | 0 | 0 | 111.6 | N173 E174 E175 S179 V180 N181 | N173-E177 WeakPolarHBondContact O-CB 3.22Å; N173-E177 PolarHBondContact O-N 2.9Å; E174-E177 PolarHBondContact O-N 2.96Å; E175-E177 PolarHBondContact O-N 3.48Å; E177-S179 VanDerWaalsContact C-N 3.33Å; E177-S179 PolarHBondContact O-N 3.24Å; E177-V180 PolarHBondContact O-N 2.94Å; E177-N181 WeakPolarHBondContact O-CB 3.42Å; E177-N181 PolarHBondContact O-N 3.32Å; E177-N181 PolarHBondContact O-ND2 2.91Å |
| 178 | K | 98.4 | Very high | 98.5 | Very high | 163 Ų | 163 | 106.5 Ų | 106.5 | 71% | 0.709 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -58.9 | -43.9 | 175.1 | -173.8 | -179.5 | 178.5 | -176.3 | 0 | 112 | E174 E175 K176 N181 S182 | E174-K178 PolarHBondContact O-N 3.4Å; E175-K178 PolarHBondContact O-N 3.41Å; K176-K178 VanDerWaalsContact C-N 3.35Å; K176-K178 PolarHBondContact O-N 3.22Å; K178-N181 PolarHBondContact O-N 3.43Å; K178-S182 PolarHBondContact O-N 3.24Å |
| 179 | S | 98.3 | Very high | 98.5 | Very high | 78 Ų | 78 | 105.7 Ų | 105.7 | 55% | 0.545 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.2 | -45.1 | 177.6 | -176.2 | 0 | 0 | 0 | 0 | 112.1 | E175 K176 E177 N181 S182 C183 | E175-S179 PolarHBondContact O-N 3.47Å; K176-S179 PolarHBondContact O-N 3.01Å; E177-S179 VanDerWaalsContact C-N 3.33Å; E177-S179 PolarHBondContact O-N 3.24Å; S179-N181 PolarHBondContact O-N 3.45Å; S179-S182 PolarHBondContact O-N 3.49Å; S179-C183 WeakPolarHBondContact O-CB 3.45Å; S179-C183 PolarHBondContact O-N 3.43Å |
| 180 | V | 98.7 | Very high | 98.5 | Very high | 84 Ų | 84 | 106.4 Ų | 106.4 | 51% | 0.509 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -58.8 | -46.5 | 175.8 | 169.6 | 0 | 0 | 0 | 0 | 111 | K176 E177 S182 C183 Q184 | K176-V180 VanDerWaalsContact O-CG2 3.32Å; K176-V180 WeakPolarHBondContact O-CG2 3.39Å; K176-V180 PolarHBondContact O-N 3.16Å; E177-V180 PolarHBondContact O-N 2.94Å; V180-S182 VanDerWaalsContact C-N 3.34Å; V180-S182 PolarHBondContact O-N 3.36Å; V180-C183 PolarHBondContact O-N 2.93Å; V180-Q184 PolarHBondContact O-N 3.25Å |
| 181 | N | 98.5 | Very high | 98.5 | Very high | 72 Ų | 72 | 106.8 Ų | 106.8 | 39% | 0.385 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.7 | -39.2 | 177.9 | -74.8 | -31.5 | 0 | 0 | 0 | 112.5 | E177 K178 S179 K185 | E177-N181 WeakPolarHBondContact O-CB 3.42Å; E177-N181 PolarHBondContact O-N 3.32Å; E177-N181 PolarHBondContact O-ND2 2.91Å; K178-N181 PolarHBondContact O-N 3.43Å; S179-N181 PolarHBondContact O-N 3.45Å; N181-K185 WeakPolarHBondContact O-CG 3.32Å; N181-K185 PolarHBondContact O-N 2.91Å; N181-K185 VanDerWaalsContact O-N 3.16Å |
| 182 | S | 98.4 | Very high | 98.5 | Very high | 71 Ų | 71 | 107.3 Ų | 107.3 | 50% | 0.497 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.9 | -46.9 | 175.4 | -167.3 | 0 | 0 | 0 | 0 | 111.7 | K178 S179 V180 Q184 K185 E186 | K178-S182 PolarHBondContact O-N 3.24Å; S179-S182 PolarHBondContact O-N 3.49Å; V180-S182 VanDerWaalsContact C-N 3.34Å; V180-S182 PolarHBondContact O-N 3.36Å; S182-Q184 VanDerWaalsContact C-N 3.31Å; S182-Q184 PolarHBondContact O-N 3.5Å; S182-K185 PolarHBondContact O-N 3.19Å; S182-E186 PolarHBondContact O-N 3.31Å |
| 183 | C | 98.3 | Very high | 98.4 | Very high | 78 Ų | 78 | 104.6 Ų | 104.6 | 53% | 0.527 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -59.8 | -40.8 | 177.7 | -179.5 | 0 | 0 | 0 | 0 | 111.8 | S179 V180 E186 Q187 | S179-C183 WeakPolarHBondContact O-CB 3.45Å; S179-C183 PolarHBondContact O-N 3.43Å; V180-C183 PolarHBondContact O-N 2.93Å; C183-E186 PolarHBondContact O-N 3.5Å; C183-Q187 WeakPolarHBondContact O-CB 3.39Å; C183-Q187 PolarHBondContact O-N 2.94Å |
| 184 | Q | 98.6 | Very high | 98.4 | Very high | 102 Ų | 102 | 107 Ų | 107 | 48% | 0.477 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.5 | -43.1 | 176.3 | -175.6 | 177.8 | -9.6 | 0 | 0 | 112.2 | V180 S182 Q187 Q188 | V180-Q184 PolarHBondContact O-N 3.25Å; S182-Q184 VanDerWaalsContact C-N 3.31Å; S182-Q184 PolarHBondContact O-N 3.5Å; Q184-Q187 PolarHBondContact O-N 3.29Å; Q184-Q188 WeakPolarHBondContact O-CG 3.36Å; Q184-Q188 PolarHBondContact O-N 3.41Å |
| 185 | K | 98.5 | Very high | 98.4 | Very high | 148 Ų | 148 | 104 Ų | 104 | 64% | 0.643 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.5 | -44.3 | 175.6 | -72.5 | 175.8 | -178.3 | -180 | 0 | 111.4 | N181 S182 Q187 Q188 A189 | N181-K185 WeakPolarHBondContact O-CG 3.32Å; N181-K185 PolarHBondContact O-N 2.91Å; N181-K185 VanDerWaalsContact O-N 3.16Å; S182-K185 PolarHBondContact O-N 3.19Å; K185-Q187 PolarHBondContact O-N 3.39Å; K185-Q188 PolarHBondContact O-N 2.95Å; K185-A189 PolarHBondContact O-N 2.86Å |
| 186 | E | 98 | Very high | 98.4 | Very high | 137 Ų | 137 | 100.3 Ų | 100.3 | 64% | 0.64 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.1 | -41.5 | 177.2 | -171.8 | 176 | 177 | 0 | 0 | 111.7 | S182 C183 Q188 A189 L190 | S182-E186 PolarHBondContact O-N 3.31Å; C183-E186 PolarHBondContact O-N 3.5Å; E186-Q188 VanDerWaalsContact C-N 3.31Å; E186-Q188 PolarHBondContact O-N 3.09Å; E186-A189 PolarHBondContact O-N 3.38Å; E186-L190 WeakPolarHBondContact O-CB 3.35Å; E186-L190 PolarHBondContact O-N 2.87Å |
| 187 | Q | 98.6 | Very high | 98.4 | Very high | 106 Ų | 106 | 101.2 Ų | 101.2 | 50% | 0.495 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.1 | -39.8 | 175.3 | -169.3 | -172.6 | 65.7 | 0 | 0 | 112 | C183 Q184 K185 K191 | C183-Q187 WeakPolarHBondContact O-CB 3.39Å; C183-Q187 PolarHBondContact O-N 2.94Å; Q184-Q187 PolarHBondContact O-N 3.29Å; K185-Q187 PolarHBondContact O-N 3.39Å; Q187-K191 WeakPolarHBondContact O-CG 3.42Å; Q187-K191 PolarHBondContact O-N 3.24Å; Q187-K191 VanDerWaalsContact O-N 3.13Å |
| 188 | Q | 98.6 | Very high | 98.3 | Very high | 106 Ų | 106 | 99.8 Ų | 99.8 | 50% | 0.495 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.8 | -46.2 | 175.6 | -72.6 | 178.3 | -6.4 | 0 | 0 | 111.8 | Q184 K185 E186 L190 K191 L192 | Q184-Q188 WeakPolarHBondContact O-CG 3.36Å; Q184-Q188 PolarHBondContact O-N 3.41Å; K185-Q188 PolarHBondContact O-N 2.95Å; E186-Q188 VanDerWaalsContact C-N 3.31Å; E186-Q188 PolarHBondContact O-N 3.09Å; Q188-L190 VanDerWaalsContact C-N 3.32Å; Q188-L190 PolarHBondContact O-N 3.05Å; Q188-K191 PolarHBondContact O-N 3.39Å; Q188-L192 PolarHBondContact O-N 3.13Å; Q188-L192 VanDerWaalsContact O-N 3.09Å |
| 189 | A | 98.3 | Very high | 98.3 | Very high | 60 Ų | 60 | 97.6 Ų | 97.6 | 50% | 0.496 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.5 | -42.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | K185 E186 K191 L192 S193 | K185-A189 PolarHBondContact O-N 2.86Å; E186-A189 PolarHBondContact O-N 3.38Å; A189-K191 PolarHBondContact O-N 2.92Å; A189-L192 PolarHBondContact O-N 3.42Å; A189-S193 WeakPolarHBondContact O-CB 3.47Å; A189-S193 PolarHBondContact O-N 3.47Å |
| 190 | L | 98.4 | Very high | 98.3 | Very high | 92 Ų | 92 | 97.8 Ų | 97.8 | 48% | 0.482 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.7 | -41.5 | 177.2 | -177.9 | 62.8 | 0 | 0 | 0 | 112.2 | E186 Q188 S193 K194 | E186-L190 WeakPolarHBondContact O-CB 3.35Å; E186-L190 PolarHBondContact O-N 2.87Å; Q188-L190 VanDerWaalsContact C-N 3.32Å; Q188-L190 PolarHBondContact O-N 3.05Å; L190-S193 PolarHBondContact O-N 2.95Å; L190-K194 HydrophobicContact CG-CD 4.48Å; L190-K194 WeakPolarHBondContact O-CG 3.5Å; L190-K194 PolarHBondContact O-N 2.98Å |
| 191 | K | 98.3 | Very high | 98.3 | Very high | 129 Ų | 129 | 98 Ų | 98 | 56% | 0.561 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.9 | -45.5 | 176 | -76.3 | 173.4 | 179.8 | 174.2 | 0 | 111.6 | Q187 Q188 A189 K194 C195 | Q187-K191 WeakPolarHBondContact O-CG 3.42Å; Q187-K191 PolarHBondContact O-N 3.24Å; Q187-K191 VanDerWaalsContact O-N 3.13Å; Q188-K191 PolarHBondContact O-N 3.39Å; A189-K191 PolarHBondContact O-N 2.92Å; K191-K194 PolarHBondContact O-N 3.32Å; K191-C195 PolarHBondContact O-N 3.06Å |
| 192 | L | 98.2 | Very high | 98.3 | Very high | 128 Ų | 128 | 100.6 Ų | 100.6 | 67% | 0.67 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.4 | -45.5 | 177.8 | -70.3 | 173.7 | 0 | 0 | 0 | 111.8 | Q188 A189 K194 C195 S196 | Q188-L192 PolarHBondContact O-N 3.13Å; Q188-L192 VanDerWaalsContact O-N 3.09Å; A189-L192 PolarHBondContact O-N 3.42Å; L192-K194 VanDerWaalsContact C-N 3.34Å; L192-K194 PolarHBondContact O-N 3.22Å; L192-C195 PolarHBondContact O-N 3.41Å; L192-S196 PolarHBondContact O-N 3.02Å |
| 193 | S | 98.3 | Very high | 98.2 | Very high | 74 Ų | 74 | 99.9 Ų | 99.9 | 52% | 0.517 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.3 | -43.7 | 177.4 | -174.7 | 0 | 0 | 0 | 0 | 111.9 | A189 L190 S196 Q197 | A189-S193 WeakPolarHBondContact O-CB 3.47Å; A189-S193 PolarHBondContact O-N 3.47Å; L190-S193 PolarHBondContact O-N 2.95Å; S193-S196 PolarHBondContact O-N 3.46Å; S193-Q197 WeakPolarHBondContact O-CB 3.39Å; S193-Q197 PolarHBondContact O-N 3.49Å |
| 194 | K | 98.4 | Very high | 98.2 | Very high | 117 Ų | 117 | 100 Ų | 100 | 51% | 0.509 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.6 | -41.6 | 176.7 | -76.2 | -179.8 | 178.4 | -177.5 | 0 | 112.3 | L190 K191 L192 Q197 N198 | L190-K194 HydrophobicContact CG-CD 4.48Å; L190-K194 WeakPolarHBondContact O-CG 3.5Å; L190-K194 PolarHBondContact O-N 2.98Å; K191-K194 PolarHBondContact O-N 3.32Å; L192-K194 VanDerWaalsContact C-N 3.34Å; L192-K194 PolarHBondContact O-N 3.22Å; K194-Q197 PolarHBondContact O-N 3.47Å; K194-N198 WeakPolarHBondContact O-CB 3.37Å; K194-N198 VanDerWaalsContact O-CG 3.26Å; K194-N198 PolarHBondContact O-N 3.48Å; K194-N198 PolarHBondContact O-ND2 2.97Å |
| 195 | C | 98.3 | Very high | 98.2 | Very high | 67 Ų | 67 | 101.1 Ų | 101.1 | 45% | 0.453 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.8 | -48.3 | 177.1 | -177.7 | 0 | 0 | 0 | 0 | 111.5 | K191 L192 Q197 N198 Q199 | K191-C195 PolarHBondContact O-N 3.06Å; L192-C195 PolarHBondContact O-N 3.41Å; C195-Q197 PolarHBondContact O-N 3.47Å; C195-N198 PolarHBondContact O-N 2.92Å; C195-Q199 WeakPolarHBondContact O-CG 3.39Å; C195-Q199 PolarHBondContact O-N 3.43Å |
| 196 | S | 97.7 | Very high | 98.2 | Very high | 65 Ų | 65 | 99 Ų | 99 | 46% | 0.455 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.5 | -41.3 | 177.7 | 177.2 | 0 | 0 | 0 | 0 | 112.7 | L192 S193 Q199 T200 | L192-S196 PolarHBondContact O-N 3.02Å; S193-S196 PolarHBondContact O-N 3.46Å; S196-Q199 PolarHBondContact O-N 2.83Å; S196-T200 WeakPolarHBondContact O-CB 3.45Å; S196-T200 PolarHBondContact O-N 3.27Å; S196-T200 PolarHBondContact O-OG1 2.99Å |
| 197 | Q | 98.1 | Very high | 98.1 | Very high | 127 Ų | 127 | 98.9 Ų | 98.9 | 59% | 0.593 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.1 | -43 | 175.7 | -173.3 | -179.9 | 18.1 | 0 | 0 | 111.8 | S193 K194 C195 T200 L201 | S193-Q197 WeakPolarHBondContact O-CB 3.39Å; S193-Q197 PolarHBondContact O-N 3.49Å; K194-Q197 PolarHBondContact O-N 3.47Å; C195-Q197 PolarHBondContact O-N 3.47Å; Q197-T200 PolarHBondContact O-N 2.91Å; Q197-L201 WeakPolarHBondContact O-CB 3.47Å; Q197-L201 PolarHBondContact O-N 3.01Å |
| 198 | N | 98.4 | Very high | 98.1 | Very high | 92 Ų | 92 | 99.5 Ų | 99.5 | 49% | 0.492 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.3 | -44 | 177.7 | -74.5 | -14 | 0 | 0 | 0 | 111.8 | K194 C195 T200 L201 E202 | K194-N198 WeakPolarHBondContact O-CB 3.37Å; K194-N198 VanDerWaalsContact O-CG 3.26Å; K194-N198 PolarHBondContact O-N 3.48Å; K194-N198 PolarHBondContact O-ND2 2.97Å; C195-N198 PolarHBondContact O-N 2.92Å; N198-T200 VanDerWaalsContact C-N 3.31Å; N198-T200 PolarHBondContact O-N 3.24Å; N198-L201 WeakPolarHBondContact O-CB 3.43Å; N198-L201 PolarHBondContact O-N 3.43Å; N198-E202 WeakPolarHBondContact O-CG 3.49Å; N198-E202 PolarHBondContact O-N 3.28Å |
| 199 | Q | 97.9 | Very high | 98 | Very high | 116 Ų | 116 | 101 Ų | 101 | 54% | 0.542 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59.9 | -42 | 174.5 | -72.4 | 173.3 | -19.8 | 0 | 0 | 112 | C195 S196 L201 E202 A203 | C195-Q199 WeakPolarHBondContact O-CG 3.39Å; C195-Q199 PolarHBondContact O-N 3.43Å; S196-Q199 PolarHBondContact O-N 2.83Å; Q199-L201 VanDerWaalsContact C-N 3.35Å; Q199-E202 PolarHBondContact O-N 3.01Å; Q199-A203 PolarHBondContact O-N 3.33Å |
| 200 | T | 98.1 | Very high | 97.9 | Very high | 82 Ų | 82 | 103.6 Ų | 103.6 | 50% | 0.503 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.1 | -42.5 | 177.6 | -55.6 | 0 | 0 | 0 | 0 | 111 | S196 Q197 N198 A203 V204 | S196-T200 WeakPolarHBondContact O-CB 3.45Å; S196-T200 PolarHBondContact O-N 3.27Å; S196-T200 PolarHBondContact O-OG1 2.99Å; Q197-T200 PolarHBondContact O-N 2.91Å; N198-T200 VanDerWaalsContact C-N 3.31Å; N198-T200 PolarHBondContact O-N 3.24Å; T200-A203 PolarHBondContact O-N 3.41Å; T200-V204 WeakPolarHBondContact O-CG2 3.38Å; T200-V204 PolarHBondContact O-N 3.4Å |
| 201 | L | 98.1 | Very high | 97.8 | Very high | 88 Ų | 88 | 102.4 Ų | 102.4 | 46% | 0.461 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63 | -41.2 | 175.9 | 179.5 | 62.9 | 0 | 0 | 0 | 112 | Q197 N198 Q199 V204 K205 | Q197-L201 WeakPolarHBondContact O-CB 3.47Å; Q197-L201 PolarHBondContact O-N 3.01Å; N198-L201 WeakPolarHBondContact O-CB 3.43Å; N198-L201 PolarHBondContact O-N 3.43Å; Q199-L201 VanDerWaalsContact C-N 3.35Å; L201-V204 PolarHBondContact O-N 3.05Å; L201-K205 HydrophobicContact CG-CD 4.5Å; L201-K205 WeakPolarHBondContact O-CG 3.35Å; L201-K205 PolarHBondContact O-N 2.63Å |
| 202 | E | 98.3 | Very high | 97.6 | Very high | 128 Ų | 128 | 99.9 Ų | 99.9 | 60% | 0.598 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60.9 | -45.9 | 175 | -76.1 | 175.3 | -178.8 | 0 | 0 | 111.6 | N198 Q199 V204 K205 E206 | N198-E202 WeakPolarHBondContact O-CG 3.49Å; N198-E202 PolarHBondContact O-N 3.28Å; Q199-E202 PolarHBondContact O-N 3.01Å; E202-V204 VanDerWaalsContact C-N 3.35Å; E202-V204 PolarHBondContact O-N 3.36Å; E202-K205 WeakPolarHBondContact O-CB 3.24Å; E202-K205 PolarHBondContact O-N 3.01Å; E202-E206 PolarHBondContact O-N 3.46Å |
| 203 | A | 97.9 | Very high | 97.5 | Very high | 55 Ų | 55 | 99.4 Ų | 99.4 | 46% | 0.455 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.8 | -40 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q199 T200 E206 M207 | Q199-A203 PolarHBondContact O-N 3.33Å; T200-A203 PolarHBondContact O-N 3.41Å; A203-E206 PolarHBondContact O-N 2.96Å; A203-M207 PolarHBondContact O-N 3Å |
| 204 | V | 98 | Very high | 97.3 | Very high | 80 Ų | 80 | 100.1 Ų | 100.1 | 49% | 0.485 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.4 | -41.3 | 175.6 | 171.3 | 0 | 0 | 0 | 0 | 111.3 | T200 L201 E202 M207 H208 | T200-V204 WeakPolarHBondContact O-CG2 3.38Å; T200-V204 PolarHBondContact O-N 3.4Å; L201-V204 PolarHBondContact O-N 3.05Å; E202-V204 VanDerWaalsContact C-N 3.35Å; E202-V204 PolarHBondContact O-N 3.36Å; V204-M207 PolarHBondContact O-N 3.48Å; V204-H208 PolarHBondContact O-N 3.39Å |
| 205 | K | 97.8 | Very high | 97.1 | Very high | 127 Ų | 127 | 99.5 Ų | 99.5 | 55% | 0.552 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.3 | -46 | 176 | -75.9 | 175 | 178.4 | -179.8 | 0 | 111.6 | L201 E202 M207 H208 E209 | L201-K205 HydrophobicContact CG-CD 4.5Å; L201-K205 WeakPolarHBondContact O-CG 3.35Å; L201-K205 PolarHBondContact O-N 2.63Å; E202-K205 WeakPolarHBondContact O-CB 3.24Å; E202-K205 PolarHBondContact O-N 3.01Å; K205-M207 VanDerWaalsContact C-N 3.34Å; K205-M207 PolarHBondContact O-N 3.43Å; K205-H208 PolarHBondContact O-N 3.38Å; K205-E209 PolarHBondContact O-N 3.47Å |
| 206 | E | 97.9 | Very high | 96.8 | Very high | 104 Ų | 104 | 102.4 Ų | 102.4 | 49% | 0.486 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.9 | -41.9 | 177.8 | -170.5 | -170.6 | 161.8 | 0 | 0 | 111.7 | E202 A203 H208 E209 K210 | E202-E206 PolarHBondContact O-N 3.46Å; A203-E206 PolarHBondContact O-N 2.96Å; E206-H208 PolarHBondContact O-N 3.2Å; E206-E209 PolarHBondContact O-N 2.99Å; E206-K210 WeakPolarHBondContact O-CG 3.36Å; E206-K210 PolarHBondContact O-N 3.5Å; E206-K210 VanDerWaalsContact OE1-CE 3.24Å; E206-K210 WeakPolarHBondContact OE1-CE 3.48Å; E206-K210 IonicContact OE1-NZ 2.63Å; E206-K210 PolarHBondContact OE1-NZ 2.98Å |
| 207 | M | 97.3 | Very high | 96.5 | Very high | 133 Ų | 133 | 103.2 Ų | 103.2 | 66% | 0.655 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.1 | -44.6 | 174.9 | -173.9 | -155.5 | -61.1 | 0 | 0 | 111.7 | A203 V204 K205 K210 S211 | A203-M207 PolarHBondContact O-N 3Å; V204-M207 PolarHBondContact O-N 3.48Å; K205-M207 VanDerWaalsContact C-N 3.34Å; K205-M207 PolarHBondContact O-N 3.43Å; M207-K210 PolarHBondContact O-N 2.91Å; M207-S211 PolarHBondContact O-N 2.95Å |
| 208 | H | 97.4 | Very high | 96 | Very high | 120 Ų | 120 | 102.1 Ų | 102.1 | 56% | 0.556 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.7 | -44.7 | 177.7 | 172.8 | -92.7 | 0 | 0 | 0 | 111.5 | V204 K205 E206 K210 S211 M212 | V204-H208 PolarHBondContact O-N 3.39Å; K205-H208 PolarHBondContact O-N 3.38Å; E206-H208 PolarHBondContact O-N 3.2Å; H208-K210 PolarHBondContact O-N 3.24Å; H208-S211 WeakPolarHBondContact O-CB 3.37Å; H208-S211 PolarHBondContact O-N 3.04Å; H208-M212 WeakPolarHBondContact O-CG 3.39Å; H208-M212 PolarHBondContact O-N 3.22Å |
| 209 | E | 96.8 | Very high | 95.3 | Very high | 138 Ų | 138 | 100.3 Ų | 100.3 | 65% | 0.645 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -58.9 | -47 | 176.9 | -172.8 | 167.1 | -158.4 | 0 | 0 | 111.6 | K205 E206 S211 M212 E213 | K205-E209 PolarHBondContact O-N 3.47Å; E206-E209 PolarHBondContact O-N 2.99Å; E209-S211 VanDerWaalsContact C-N 3.34Å; E209-S211 PolarHBondContact O-N 3.42Å; E209-M212 PolarHBondContact O-N 3.38Å; E209-E213 PolarHBondContact O-N 3.11Å |
| 210 | K | 96.4 | Very high | 94.5 | Very high | 114 Ų | 114 | 100 Ų | 100 | 50% | 0.496 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -59.7 | -41.2 | 173.7 | -72.2 | 174.8 | -175.3 | 168.8 | 0 | 112.7 | E206 M207 H208 E213 V214 | E206-K210 WeakPolarHBondContact O-CG 3.36Å; E206-K210 PolarHBondContact O-N 3.5Å; E206-K210 VanDerWaalsContact OE1-CE 3.24Å; E206-K210 WeakPolarHBondContact OE1-CE 3.48Å; E206-K210 IonicContact OE1-NZ 2.63Å; E206-K210 PolarHBondContact OE1-NZ 2.98Å; M207-K210 PolarHBondContact O-N 2.91Å; H208-K210 PolarHBondContact O-N 3.24Å; K210-E213 PolarHBondContact O-N 3.4Å; K210-V214 WeakPolarHBondContact O-CG2 3.47Å; K210-V214 PolarHBondContact O-N 3.18Å |
| 211 | S | 96 | Very high | 93.1 | Very high | 66 Ų | 66 | 104.7 Ų | 104.7 | 46% | 0.462 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.7 | -42.6 | 177 | -174 | 0 | 0 | 0 | 0 | 111.8 | M207 H208 E209 V214 L215 | M207-S211 PolarHBondContact O-N 2.95Å; H208-S211 WeakPolarHBondContact O-CB 3.37Å; H208-S211 PolarHBondContact O-N 3.04Å; E209-S211 VanDerWaalsContact C-N 3.34Å; E209-S211 PolarHBondContact O-N 3.42Å; S211-V214 PolarHBondContact O-N 2.92Å; S211-L215 WeakPolarHBondContact O-CG 3.46Å; S211-L215 PolarHBondContact O-N 2.91Å; S211-L215 VanDerWaalsContact O-N 3.08Å |
| 212 | M | 94.9 | Very high | 91 | Very high | 77 Ų | 77 | 110.2 Ų | 110.2 | 38% | 0.379 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65.4 | -41 | 177.4 | -71.4 | -62.1 | -67 | 0 | 0 | 111.5 | H208 E209 L215 M216 | H208-M212 WeakPolarHBondContact O-CG 3.39Å; H208-M212 PolarHBondContact O-N 3.22Å; E209-M212 PolarHBondContact O-N 3.38Å; M212-L215 PolarHBondContact O-N 3.03Å; M212-L215 HydrophobicContact SD-CD1 4.49Å; M212-M216 HydrophobicContact CE-CE 4.44Å; M212-M216 WeakPolarHBondContact O-CG 3.41Å; M212-M216 PolarHBondContact O-N 3.43Å |
| 213 | E | 95.4 | Very high | 90.6 | Very high | 118 Ų | 118 | 109.3 Ų | 109.3 | 55% | 0.551 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -60 | -45 | 175.1 | -174.9 | -178.9 | -177.4 | 0 | 0 | 111.8 | E209 K210 L215 M216 N217 | E209-E213 PolarHBondContact O-N 3.11Å; K210-E213 PolarHBondContact O-N 3.4Å; E213-L215 PolarHBondContact O-N 2.97Å; E213-M216 PolarHBondContact O-N 3.37Å; E213-N217 WeakPolarHBondContact O-CB 3.39Å; E213-N217 VanDerWaalsContact O-CG 3.26Å; E213-N217 PolarHBondContact O-N 3.47Å; E213-N217 PolarHBondContact O-ND2 3.08Å; E213-N217 VanDerWaalsContact O-ND2 3.11Å |
| 214 | V | 94.8 | Very high | 90.3 | Very high | 88 Ų | 88 | 112.2 Ų | 112.2 | 53% | 0.533 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -59.8 | -45.7 | 175.2 | 170.1 | 0 | 0 | 0 | 0 | 111.2 | K210 S211 N217 L218 | K210-V214 WeakPolarHBondContact O-CG2 3.47Å; K210-V214 PolarHBondContact O-N 3.18Å; S211-V214 PolarHBondContact O-N 2.92Å; V214-N217 PolarHBondContact O-N 2.88Å; V214-L218 HydrophobicContact CG1-CD1 3.88Å; V214-L218 WeakPolarHBondContact O-CD1 3.37Å; V214-L218 PolarHBondContact O-N 3.27Å |
| 215 | L | 92.9 | Very high | 89.8 | Confident | 105 Ų | 105 | 113.9 Ų | 113.9 | 55% | 0.55 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -64.1 | -42 | 178.2 | -71.8 | 173.7 | 0 | 0 | 0 | 112.7 | S211 M212 E213 L218 G219 | S211-L215 WeakPolarHBondContact O-CG 3.46Å; S211-L215 PolarHBondContact O-N 2.91Å; S211-L215 VanDerWaalsContact O-N 3.08Å; M212-L215 PolarHBondContact O-N 3.03Å; M212-L215 HydrophobicContact SD-CD1 4.49Å; E213-L215 PolarHBondContact O-N 2.97Å; L215-L218 PolarHBondContact O-N 3.35Å; L215-G219 PolarHBondContact O-N 3.08Å; L215-G219 VanDerWaalsContact O-N 3.08Å |
| 216 | M | 92.4 | Very high | 89.4 | Confident | 128 Ų | 128 | 113.2 Ų | 113.2 | 63% | 0.631 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -61.6 | -45.4 | 175.3 | -73.5 | -174 | -171.3 | 0 | 0 | 111.3 | M212 E213 L218 G219 T220 | M212-M216 HydrophobicContact CE-CE 4.44Å; M212-M216 WeakPolarHBondContact O-CG 3.41Å; M212-M216 PolarHBondContact O-N 3.43Å; E213-M216 PolarHBondContact O-N 3.37Å; M216-L218 VanDerWaalsContact C-N 3.32Å; M216-L218 PolarHBondContact O-N 3.39Å; M216-G219 PolarHBondContact O-N 3.16Å; M216-G219 VanDerWaalsContact O-N 3.16Å; M216-T220 PolarHBondContact O-N 2.9Å; M216-T220 VanDerWaalsContact O-N 3.16Å |
| 217 | N | 91.7 | Very high | 88.8 | Confident | 81 Ų | 81 | 113.8 Ų | 113.8 | 43% | 0.433 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -63.1 | -35.6 | 178.5 | -73.7 | -34.2 | 0 | 0 | 0 | 112.8 | E213 V214 T220 | E213-N217 WeakPolarHBondContact O-CB 3.39Å; E213-N217 VanDerWaalsContact O-CG 3.26Å; E213-N217 PolarHBondContact O-N 3.47Å; E213-N217 PolarHBondContact O-ND2 3.08Å; E213-N217 VanDerWaalsContact O-ND2 3.11Å; V214-N217 PolarHBondContact O-N 2.88Å; N217-T220 PolarHBondContact O-OG1 3.27Å |
| 218 | L | 87.9 | Confident | 88.3 | Confident | 104 Ų | 104 | 112.5 Ų | 112.5 | 55% | 0.545 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -64.5 | -43.4 | 172.2 | -90.3 | 144.6 | 0 | 0 | 0 | 112.1 | V214 L215 M216 T220 K221 | V214-L218 HydrophobicContact CG1-CD1 3.88Å; V214-L218 WeakPolarHBondContact O-CD1 3.37Å; V214-L218 PolarHBondContact O-N 3.27Å; L215-L218 PolarHBondContact O-N 3.35Å; M216-L218 VanDerWaalsContact C-N 3.32Å; M216-L218 PolarHBondContact O-N 3.39Å; L218-T220 VanDerWaalsContact C-N 3.26Å; L218-T220 PolarHBondContact O-N 3.36Å; L218-K221 PolarHBondContact O-N 3.16Å |
| 219 | G | 83.3 | Confident | 87.6 | Confident | 55 Ų | 55 | 111.9 Ų | 111.9 | 57% | 0.567 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -63.3 | -28.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114 | L215 M216 | L215-G219 PolarHBondContact O-N 3.08Å; L215-G219 VanDerWaalsContact O-N 3.08Å; M216-G219 PolarHBondContact O-N 3.16Å; M216-G219 VanDerWaalsContact O-N 3.16Å |
| 220 | T | 82 | Confident | 86.9 | Confident | 109 Ų | 109 | 109.9 Ų | 109.9 | 67% | 0.669 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | -11.5 | 177.9 | 57.8 | 0 | 0 | 0 | 0 | 115.1 | M216 N217 L218 | M216-T220 PolarHBondContact O-N 2.9Å; M216-T220 VanDerWaalsContact O-N 3.16Å; N217-T220 PolarHBondContact O-OG1 3.27Å; L218-T220 VanDerWaalsContact C-N 3.26Å; L218-T220 PolarHBondContact O-N 3.36Å |
| 221 | K | 68.6 | Low | 86.1 | Confident | 180 Ų | 180 | 109.6 Ų | 109.6 | 78% | 0.783 | 60% | 0.599 | S | S | * | * | trans | -96.9 | -2 | -177.6 | -78.9 | -178 | 178.6 | 177.3 | 0 | 114.3 | L218 | L218-K221 PolarHBondContact O-N 3.16Š| ||
| 222 | N | 53.4 | Low | 85.2 | Confident | 204 Ų | 204 | 113.5 Ų | 113.5 | 100% | 1.091 | 61% | 0.612 | S | S | * | * | trans | -106.6 | 0 | 169.9 | -73.1 | -20.5 | 0 | 0 | 0 | 110 |
Retrieved 222 of 222 residues in 313.2 ms
(Link to these results)