| 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 | 47.1 | Very low | 44 | Very low | 252 Ų | 252 | 144.8 Ų | 144.8 | 100% | 1.241 | 81% | 0.808 | S | S | * | * | 0 | 102.5 | 0 | -68.3 | -174.9 | -179.1 | 0 | 0 | 107.7 | |||||
| 2 | G | 38.3 | Very low | 43.9 | Very low | 77 Ų | 77 | 149.2 Ų | 149.2 | 79% | 0.794 | 81% | 0.813 | S | S | * | * | trans | -104 | 117.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 3 | A | 40.9 | Very low | 43.9 | Very low | 105 Ų | 105 | 151.2 Ų | 151.2 | 87% | 0.868 | 81% | 0.813 | S | S | * | * | trans | -89.3 | 112.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | N5 | A3-N5 PolarHBondContact O-N 3.3Š| ||
| 4 | N | 38 | Very low | 44.2 | Very low | 155 Ų | 155 | 147.6 Ų | 147.6 | 83% | 0.829 | 81% | 0.806 | S | S | * | * | trans | -83.1 | 93.4 | 174.7 | 46.6 | -26 | 0 | 0 | 0 | 110.4 | S6 | N4-S6 PolarHBondContact O-N 3.1Š| ||
| 5 | N | 48.7 | Very low | 44.6 | Very low | 140 Ų | 140 | 145.3 Ų | 145.3 | 75% | 0.749 | 79% | 0.793 | S | S | * | * | trans | -85 | 91.8 | 167.4 | -173.3 | -30.3 | 0 | 0 | 0 | 109.8 | A3 T7 | A3-N5 PolarHBondContact O-N 3.3Å; N5-T7 PolarHBondContact O-N 2.96Å; N5-T7 PolarHBondContact OD1-OG1 2.71Å | ||
| 6 | S | 45.1 | Very low | 45.3 | Very low | 96 Ų | 96 | 147.1 Ų | 147.1 | 67% | 0.671 | 79% | 0.794 | S | S | * | * | trans | -76.9 | 96.7 | 168.5 | 170.2 | 0 | 0 | 0 | 0 | 109.5 | N4 R8 | N4-S6 PolarHBondContact O-N 3.1Å; S6-R8 VanDerWaalsContact C-N 3.26Å; S6-R8 PolarHBondContact O-N 3.15Å | ||
| 7 | T | 51.6 | Low | 45.5 | Very low | 112 Ų | 112 | 145.2 Ų | 145.2 | 69% | 0.687 | 78% | 0.783 | S | S | * | * | trans | -69.8 | 84.3 | 166.8 | -58.6 | 0 | 0 | 0 | 0 | 109.3 | N5 R9 | N5-T7 PolarHBondContact O-N 2.96Å; N5-T7 PolarHBondContact OD1-OG1 2.71Å; T7-R9 PolarHBondContact O-N 3.29Å | ||
| 8 | R | 44.9 | Very low | 46.1 | Very low | 211 Ų | 211 | 147.6 Ų | 147.6 | 80% | 0.796 | 79% | 0.789 | S | S | * | * | trans | -70.5 | 113.2 | 162.7 | -89.6 | -173.7 | -179.9 | -140 | -0.1 | 107.2 | S6 V10 | S6-R8 VanDerWaalsContact C-N 3.26Å; S6-R8 PolarHBondContact O-N 3.15Å; R8-V10 PolarHBondContact O-N 3.31Å | ||
| 9 | R | 45.9 | Very low | 47 | Very low | 233 Ų | 233 | 143.9 Ų | 143.9 | 88% | 0.879 | 77% | 0.769 | S | S | * | * | trans | -66 | 115.7 | 163.1 | -66.5 | -164.9 | -177.4 | -88.9 | 1 | 107.1 | T7 | T7-R9 PolarHBondContact O-N 3.29Š| ||
| 10 | V | 42.9 | Very low | 48.1 | Very low | 112 Ų | 112 | 140.3 Ų | 140.3 | 68% | 0.679 | 75% | 0.749 | S | S | * | * | trans | -97.1 | 109.2 | 173.1 | -167.1 | 0 | 0 | 0 | 0 | 105.8 | R8 F12 | R8-V10 PolarHBondContact O-N 3.31Å; V10-F12 PolarHBondContact O-N 3.11Å | ||
| 11 | S | 41 | Very low | 49.4 | Very low | 100 Ų | 100 | 136.9 Ų | 136.9 | 70% | 0.699 | 73% | 0.733 | S | S | * | * | trans | -68.2 | 120.8 | 168.6 | -58.6 | 0 | 0 | 0 | 0 | 107.8 | E13 | S11-E13 PolarHBondContact O-N 3.24Š| ||
| 12 | F | 42 | Very low | 50.7 | Low | 197 Ų | 197 | 129.5 Ų | 129.5 | 86% | 0.864 | 70% | 0.702 | S | S | * | * | trans | -81.7 | 92.2 | 163 | -83.3 | -95.5 | 0 | 0 | 0 | 106.6 | V10 S14 | V10-F12 PolarHBondContact O-N 3.11Å; F12-S14 PolarHBondContact O-N 3.28Å | ||
| 13 | E | 44.8 | Very low | 52.3 | Low | 175 Ų | 175 | 129.3 Ų | 129.3 | 82% | 0.818 | 69% | 0.686 | S | S | * | * | trans | -71.8 | 115.5 | 156.8 | -87.9 | 169.6 | 87.3 | 0 | 0 | 106.4 | S11 D15 | S11-E13 PolarHBondContact O-N 3.24Å; E13-D15 PolarHBondContact O-N 3.03Å | ||
| 14 | S | 47.9 | Very low | 54 | Low | 101 Ų | 101 | 134.4 Ų | 134.4 | 71% | 0.706 | 69% | 0.688 | S | S | * | * | trans | -64.7 | 99.9 | 166.7 | -65.7 | 0 | 0 | 0 | 0 | 106.9 | F12 E16 | F12-S14 PolarHBondContact O-N 3.28Å; S14-E16 WeakPolarHBondContact O-CG 3.17Å; S14-E16 PolarHBondContact O-N 2.93Å | ||
| 15 | D | 50.2 | Low | 55.7 | Low | 114 Ų | 114 | 130.2 Ų | 130.2 | 61% | 0.61 | 68% | 0.681 | S | S | * | * | trans | -77.2 | 105.4 | 174.8 | -162.4 | -21.9 | 0 | 0 | 0 | 107.8 | E13 N17 | E13-D15 PolarHBondContact O-N 3.03Å; D15-N17 PolarHBondContact O-N 3.13Å | ||
| 16 | E | 55.1 | Low | 57 | Low | 174 Ų | 174 | 128.7 Ų | 128.7 | 81% | 0.813 | 67% | 0.672 | S | S | * | * | trans | -82.4 | 3.2 | -166.2 | -39.2 | -164.6 | 131.5 | 0 | 0 | 112.7 | S14 | S14-E16 WeakPolarHBondContact O-CG 3.17Å; S14-E16 PolarHBondContact O-N 2.93Å | ||
| 17 | N | 49.8 | Very low | 58.7 | Low | 114 Ų | 114 | 133 Ų | 133 | 61% | 0.61 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -127 | 89.2 | -173 | -86.4 | 81.6 | 0 | 0 | 0 | 114.2 | D15 N19 | D15-N17 PolarHBondContact O-N 3.13Å; N17-N19 PolarHBondContact O-N 3.27Å; N17-N19 PolarHBondContact O-ND2 2.86Å; N17-N19 PolarHBondContact O-OD1 3.34Å |
| 18 | E | 55.8 | Low | 60.1 | Low | 189 Ų | 189 | 129.4 Ų | 129.4 | 88% | 0.883 | 65% | 0.65 | S | S | * | * | S | Bend | trans | 53.9 | 10.1 | 138.8 | -91 | -179.5 | 146.8 | 0 | 0 | 124.6 | ||
| 19 | N | 63.1 | Low | 61.9 | Low | 78 Ų | 78 | 121.4 Ų | 121.4 | 42% | 0.417 | 63% | 0.626 | S | S | . | * | trans | -112.5 | 45.2 | 174.4 | 29.1 | 60 | 0 | 0 | 0 | 113.5 | N17 E30 | N17-N19 PolarHBondContact O-N 3.27Å; N17-N19 PolarHBondContact O-ND2 2.86Å; N17-N19 PolarHBondContact O-OD1 3.34Å; N19-E30 HydrophobicContact CB-CB 4.49Å; N19-E30 PolarHBondContact O-N 3.36Å | ||
| 20 | I | 69.4 | Low | 63.4 | Low | 71 Ų | 71 | 115.8 Ų | 115.8 | 36% | 0.364 | 61% | 0.61 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.2 | 120.8 | 175.5 | -56.7 | 172.6 | 0 | 0 | 0 | 109.5 | R27 L28 | I20-R27 HydrophobicContact CG2-CB 3.78Å; I20-R27 HydrophobicContact CG2-CG 4.41Å; I20-L28 CarbonylContact C-O 3.44Å; I20-L28 WeakPolarHBondContact CA-O 3.34Å |
| 21 | T | 74.2 | Confident | 64.9 | Low | 68 Ų | 68 | 115.9 Ų | 115.9 | 42% | 0.417 | 61% | 0.607 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.4 | 143.9 | 175 | 38.6 | 0 | 0 | 0 | 0 | 110.9 | L28 I33 | T21-L28 PolarHBondContact N-O 2.93Å; T21-L28 PolarHBondContact O-N 3.26Å; T21-L28 VanDerWaalsContact O-O 3.06Å; T21-I33 WeakPolarHBondContact OG1-CD1 3.48Å |
| 22 | V | 75.6 | Confident | 66.8 | Low | 97 Ų | 97 | 113.5 Ų | 113.5 | 59% | 0.588 | 59% | 0.588 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -96.9 | 107.8 | -176.3 | -175.1 | 0 | 0 | 0 | 0 | 109.4 | I26 R27 | V22-I26 WeakPolarHBondContact CA-O 3.49Å; V22-R27 HydrophobicContact CG2-CG 4.08Å |
| 23 | V | 71.4 | Confident | 68.6 | Low | 74 Ų | 74 | 105.8 Ų | 105.8 | 45% | 0.448 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.9 | 112.9 | 177.2 | -175.5 | 0 | 0 | 0 | 0 | 108.1 | G25 I26 L28 I33 | V23-G25 PolarHBondContact O-N 2.89Å; V23-I26 PolarHBondContact N-O 2.98Å; V23-I26 PolarHBondContact O-N 3.43Å; V23-I26 VanDerWaalsContact O-N 3.11Å; V23-L28 HydrophobicContact CB-CD1 4.45Å; V23-I33 HydrophobicContact CG2-CD1 3.74Å; V23-I33 HydrophobicContact CG2-CG1 4.09Å |
| 24 | K | 77.4 | Confident | 70.2 | Confident | 211 Ų | 211 | 103.7 Ų | 103.7 | 92% | 0.917 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 37.4 | 177 | -156.1 | 155.4 | 180 | 153.3 | 0 | 113.7 | ||
| 25 | G | 72 | Confident | 71.7 | Confident | 67 Ų | 67 | 107.6 Ų | 107.6 | 69% | 0.691 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.9 | -0.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | V23 | V23-G25 PolarHBondContact O-N 2.89Š|
| 26 | I | 76.7 | Confident | 72.8 | Confident | 108 Ų | 108 | 109 Ų | 109 | 55% | 0.554 | 55% | 0.547 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 127.7 | 178.8 | -57.5 | 165.7 | 0 | 0 | 0 | 108.9 | V22 V23 L28 | V22-I26 WeakPolarHBondContact CA-O 3.49Å; V23-I26 PolarHBondContact N-O 2.98Å; V23-I26 PolarHBondContact O-N 3.43Å; V23-I26 VanDerWaalsContact O-N 3.11Å; I26-L28 HydrophobicContact CG2-CD2 3.73Å; I26-L28 HydrophobicContact CG2-CG 3.94Å; I26-L28 PolarHBondContact O-N 2.95Å |
| 27 | R | 81.8 | Confident | 73.9 | Confident | 186 Ų | 186 | 109.2 Ų | 109.2 | 70% | 0.702 | 55% | 0.546 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 112.6 | 174.9 | -66.4 | -175.8 | 76.6 | -164.9 | 1.8 | 108.9 | I20 V22 | I20-R27 HydrophobicContact CG2-CB 3.78Å; I20-R27 HydrophobicContact CG2-CG 4.41Å; V22-R27 HydrophobicContact CG2-CG 4.08Å |
| 28 | L | 79.7 | Confident | 74.6 | Confident | 37 Ų | 37 | 109.4 Ų | 109.4 | 19% | 0.194 | 54% | 0.543 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 143.9 | 179 | -60.9 | 174.5 | 0 | 0 | 0 | 109.3 | I20 T21 V23 I26 V32 I33 M36 | I20-L28 CarbonylContact C-O 3.44Å; I20-L28 WeakPolarHBondContact CA-O 3.34Å; T21-L28 PolarHBondContact N-O 2.93Å; T21-L28 PolarHBondContact O-N 3.26Å; T21-L28 VanDerWaalsContact O-O 3.06Å; V23-L28 HydrophobicContact CB-CD1 4.45Å; I26-L28 HydrophobicContact CG2-CD2 3.73Å; I26-L28 HydrophobicContact CG2-CG 3.94Å; I26-L28 PolarHBondContact O-N 2.95Å; L28-V32 HydrophobicContact CB-CG1 4.49Å; L28-V32 HydrophobicContact CD2-CG1 4.1Å; L28-I33 HydrophobicContact CB-CD1 3.84Å; L28-I33 HydrophobicContact CB-CG1 3.71Å; L28-I33 HydrophobicContact CD1-CG1 4.08Å; L28-M36 HydrophobicContact CD1-SD 4.05Å |
| 29 | S | 82.1 | Confident | 74.2 | Confident | 43 Ų | 43 | 106.1 Ų | 106.1 | 30% | 0.301 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 153.2 | 169.9 | 62.9 | 0 | 0 | 0 | 0 | 110.5 | N31 V32 I33 | S29-N31 PolarHBondContact O-N 3.02Å; S29-V32 WeakPolarHBondContact O-CB 3.01Å; S29-V32 PolarHBondContact O-N 3.31Å; S29-V32 WeakPolarHBondContact OG-CG2 3.49Å; S29-I33 PolarHBondContact O-N 3.02Å |
| 30 | E | 79 | Confident | 73.4 | Confident | 116 Ų | 116 | 107.4 Ų | 107.4 | 54% | 0.542 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -57.4 | -33.4 | -179.6 | -147 | 168.5 | -175.7 | 0 | 0 | 112.3 | N19 V32 I33 K34 | N19-E30 HydrophobicContact CB-CB 4.49Å; N19-E30 PolarHBondContact O-N 3.36Å; E30-V32 VanDerWaalsContact C-N 3.33Å; E30-V32 PolarHBondContact O-N 3.05Å; E30-I33 PolarHBondContact O-N 3.26Å; E30-K34 WeakPolarHBondContact O-CB 3.42Å; E30-K34 PolarHBondContact O-N 2.92Å |
| 31 | N | 74.1 | Confident | 72.3 | Confident | 113 Ų | 113 | 110 Ų | 110 | 60% | 0.604 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -66.1 | -29.8 | 174.6 | -73 | 0.4 | 0 | 0 | 0 | 113.9 | S29 R35 | S29-N31 PolarHBondContact O-N 3.02Å; N31-R35 WeakPolarHBondContact O-CG 3.37Å; N31-R35 PolarHBondContact O-NE 3.32Å |
| 32 | V | 80 | Confident | 70.6 | Confident | 50 Ų | 50 | 112.7 Ų | 112.7 | 30% | 0.303 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -78.6 | -42.1 | 175 | 173.3 | 0 | 0 | 0 | 0 | 109.8 | L28 S29 E30 K34 R35 M36 | L28-V32 HydrophobicContact CB-CG1 4.49Å; L28-V32 HydrophobicContact CD2-CG1 4.1Å; S29-V32 WeakPolarHBondContact O-CB 3.01Å; S29-V32 PolarHBondContact O-N 3.31Å; S29-V32 WeakPolarHBondContact OG-CG2 3.49Å; E30-V32 VanDerWaalsContact C-N 3.33Å; E30-V32 PolarHBondContact O-N 3.05Å; V32-K34 PolarHBondContact O-N 3.31Å; V32-R35 PolarHBondContact O-N 2.04Å; V32-M36 HydrophobicContact CG1-SD 4.23Å; V32-M36 WeakPolarHBondContact O-CG 3.4Å; V32-M36 PolarHBondContact O-N 3.3Å |
| 33 | I | 81 | Confident | 68.9 | Low | 35 Ų | 35 | 114.1 Ų | 114.1 | 18% | 0.179 | 61% | 0.609 | C | S | . | * | H | α-helix | trans | -64.5 | -42.2 | 178.4 | -68.7 | 162.3 | 0 | 0 | 0 | 111.3 | T21 V23 L28 S29 E30 R35 M36 K37 | T21-I33 WeakPolarHBondContact OG1-CD1 3.48Å; V23-I33 HydrophobicContact CG2-CD1 3.74Å; V23-I33 HydrophobicContact CG2-CG1 4.09Å; L28-I33 HydrophobicContact CB-CD1 3.84Å; L28-I33 HydrophobicContact CB-CG1 3.71Å; L28-I33 HydrophobicContact CD1-CG1 4.08Å; S29-I33 PolarHBondContact O-N 3.02Å; E30-I33 PolarHBondContact O-N 3.26Å; I33-R35 VanDerWaalsContact C-N 3.29Å; I33-R35 PolarHBondContact O-N 3.04Å; I33-M36 PolarHBondContact O-N 3.39Å; I33-M36 VanDerWaalsContact O-N 3.1Å; I33-K37 WeakPolarHBondContact O-CB 3.46Å; I33-K37 PolarHBondContact O-N 3.49Å |
| 34 | K | 77.4 | Confident | 67.1 | Low | 132 Ų | 132 | 120.6 Ų | 120.6 | 57% | 0.574 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -59.5 | -41.3 | 176.3 | -167.5 | 176 | -178.6 | -177.8 | 0 | 111.5 | E30 V32 M36 K37 E38 | E30-K34 WeakPolarHBondContact O-CB 3.42Å; E30-K34 PolarHBondContact O-N 2.92Å; V32-K34 PolarHBondContact O-N 3.31Å; K34-M36 PolarHBondContact O-N 3.23Å; K34-K37 PolarHBondContact O-N 2.93Å; K34-E38 PolarHBondContact O-N 3.34Å |
| 35 | R | 78.8 | Confident | 65.1 | Low | 183 Ų | 183 | 119 Ų | 119 | 69% | 0.691 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -66.6 | -32.5 | 174 | -79.7 | -172.5 | -99.7 | -172.8 | -10.4 | 113.9 | N31 V32 I33 | N31-R35 WeakPolarHBondContact O-CG 3.37Å; N31-R35 PolarHBondContact O-NE 3.32Å; V32-R35 PolarHBondContact O-N 2.04Å; I33-R35 VanDerWaalsContact C-N 3.29Å; I33-R35 PolarHBondContact O-N 3.04Å |
| 36 | M | 74 | Confident | 63.2 | Low | 143 Ų | 143 | 125.2 Ų | 125.2 | 70% | 0.704 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -77.8 | -22.5 | 175.5 | -69.7 | -177.3 | 70.4 | 0 | 0 | 113 | L28 V32 I33 K34 | L28-M36 HydrophobicContact CD1-SD 4.05Å; V32-M36 HydrophobicContact CG1-SD 4.23Å; V32-M36 WeakPolarHBondContact O-CG 3.4Å; V32-M36 PolarHBondContact O-N 3.3Å; I33-M36 PolarHBondContact O-N 3.39Å; I33-M36 VanDerWaalsContact O-N 3.1Å; K34-M36 PolarHBondContact O-N 3.23Å |
| 37 | K | 77.7 | Confident | 61.3 | Low | 179 Ų | 179 | 128.5 Ų | 128.5 | 78% | 0.778 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -92.2 | -21.3 | -177.9 | -162.8 | 172 | 179.2 | -176.1 | 0 | 113 | I33 K34 | I33-K37 WeakPolarHBondContact O-CB 3.46Å; I33-K37 PolarHBondContact O-N 3.49Å; K34-K37 PolarHBondContact O-N 2.93Å |
| 38 | E | 66.1 | Low | 58.8 | Low | 118 Ų | 118 | 125.9 Ų | 125.9 | 55% | 0.551 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -81 | 130 | 171.4 | -76.8 | 175.5 | -177.5 | 0 | 0 | 111.1 | K34 A40 | K34-E38 PolarHBondContact O-N 3.34Å; E38-A40 PolarHBondContact O-N 3.36Å |
| 39 | P | 47.6 | Very low | 56.6 | Low | 120 Ų | 120 | 128.7 Ų | 128.7 | 78% | 0.779 | 69% | 0.689 | S | S | * | * | trans | -67.7 | 125.9 | 171.5 | 25.7 | -30.2 | 0 | 0 | 0 | 109.9 | T41 | P39-T41 PolarHBondContact O-N 3.4Å; P39-T41 VanDerWaalsContact O-N 3.09Å | ||
| 40 | A | 45.5 | Very low | 54.8 | Low | 104 Ų | 104 | 132.1 Ų | 132.1 | 86% | 0.86 | 71% | 0.711 | S | S | * | * | trans | -57.8 | 112.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | E38 | E38-A40 PolarHBondContact O-N 3.36Š| ||
| 41 | T | 46.2 | Very low | 52.4 | Low | 127 Ų | 127 | 133 Ų | 133 | 78% | 0.779 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -93.9 | 135.8 | 157.4 | 46.1 | 0 | 0 | 0 | 0 | 108.5 | P39 | P39-T41 PolarHBondContact O-N 3.4Å; P39-T41 VanDerWaalsContact O-N 3.09Å |
| 42 | P | 39.2 | Very low | 50.5 | Low | 123 Ų | 123 | 132.9 Ų | 132.9 | 80% | 0.799 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 137.3 | -171.1 | 29.6 | -32.3 | 0 | 0 | 0 | 111.8 | ||
| 43 | P | 40 | Very low | 48.2 | Very low | 128 Ų | 128 | 134.8 Ų | 134.8 | 83% | 0.831 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 139.8 | 172.2 | 31.2 | -29.3 | 0 | 0 | 0 | 111.6 | ||
| 44 | K | 32.6 | Very low | 45.7 | Very low | 210 Ų | 210 | 139.5 Ų | 139.5 | 91% | 0.913 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 142.5 | 176.2 | -112.5 | 171.3 | 173.6 | 177.6 | 0 | 112.8 | ||
| 45 | Q | 34.8 | Very low | 43.5 | Very low | 176 Ų | 176 | 137.8 Ų | 137.8 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 140.8 | 168.6 | -68.4 | 165.8 | -27.2 | 0 | 0 | 112.7 | ||
| 46 | Q | 33.5 | Very low | 41.4 | Very low | 199 Ų | 199 | 138.9 Ų | 138.9 | 93% | 0.93 | 80% | 0.798 | S | S | * | * | trans | -128.8 | 121.3 | 150.6 | -100.1 | 176.2 | -10.8 | 0 | 0 | 109.4 | ||||
| 47 | Q | 35.6 | Very low | 39.3 | Very low | 177 Ų | 177 | 136.4 Ų | 136.4 | 83% | 0.827 | 80% | 0.801 | S | S | * | * | trans | -80.1 | 148.3 | 178 | -71.9 | 163.5 | -29 | 0 | 0 | 111.2 | ||||
| 48 | S | 30.9 | Very low | 37.8 | Very low | 130 Ų | 130 | 133.7 Ų | 133.7 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | trans | -166 | 156.1 | 131.5 | 40.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 49 | A | 33.6 | Very low | 36 | Very low | 97 Ų | 97 | 133 Ų | 133 | 80% | 0.802 | 81% | 0.809 | S | S | * | * | trans | -98.7 | -179.6 | -145.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 50 | P | 43.3 | Very low | 35.2 | Very low | 115 Ų | 115 | 135.1 Ų | 135.1 | 75% | 0.747 | 81% | 0.813 | S | S | * | * | trans | -105.2 | 169.8 | -150.8 | 40.9 | -35.8 | 0 | 0 | 0 | 115.2 | ||||
| 51 | T | 28.8 | Very low | 34.8 | Very low | 134 Ų | 134 | 137.7 Ų | 137.7 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | trans | -156.5 | 126 | 154.3 | -14.1 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 52 | S | 33.6 | Very low | 35 | Very low | 110 Ų | 110 | 136.8 Ų | 136.8 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | trans | 59 | 124.7 | 141.5 | 54.5 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 53 | A | 31.1 | Very low | 34.9 | Very low | 90 Ų | 90 | 136.4 Ų | 136.4 | 74% | 0.744 | 81% | 0.808 | S | S | * | * | trans | -66.4 | 166.1 | 163.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 54 | T | 30.1 | Very low | 35.4 | Very low | 134 Ų | 134 | 135.7 Ų | 135.7 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | 176.5 | 133.6 | 109.5 | -45.4 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 55 | S | 30.9 | Very low | 35.9 | Very low | 96 Ų | 96 | 131.5 Ų | 131.5 | 67% | 0.671 | 80% | 0.797 | S | S | * | * | trans | 57.5 | 125.4 | 143.2 | -83.5 | 0 | 0 | 0 | 0 | 127.3 | ||||
| 56 | K | 34.3 | Very low | 36.1 | Very low | 206 Ų | 206 | 131.3 Ų | 131.3 | 90% | 0.896 | 80% | 0.801 | S | S | * | * | 88.5 | 136.8 | 127.5 | -73.6 | -177.8 | 179.2 | -175.1 | 0 | 121.3 | |||||
| 57 | A | 29.7 | Very low | 37.1 | Very low | 92 Ų | 92 | 133 Ų | 133 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | trans | -95.1 | -164.3 | -170.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 58 | P | 46.9 | Very low | 37.5 | Very low | 121 Ų | 121 | 130.4 Ų | 130.4 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | cis | -131.6 | 177.7 | -25.9 | 26 | -3.8 | 0 | 0 | 0 | 113.8 | ||||
| 59 | S | 28.8 | Very low | 38.6 | Very low | 103 Ų | 103 | 130.7 Ų | 130.7 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | trans | 109.1 | 140.2 | 138.6 | -152.3 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 60 | L | 30.2 | Very low | 39.2 | Very low | 165 Ų | 165 | 131.1 Ų | 131.1 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | trans | 95.3 | 115.1 | 160.8 | -53.3 | 176.7 | 0 | 0 | 0 | 119 | ||||
| 61 | I | 35.9 | Very low | 39.3 | Very low | 158 Ų | 158 | 131.7 Ų | 131.7 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | trans | -113.3 | 166 | 166.6 | -43.1 | 168 | 0 | 0 | 0 | 105.3 | ||||
| 62 | P | 50.8 | Low | 40.3 | Very low | 109 Ų | 109 | 134 Ų | 134 | 71% | 0.708 | 80% | 0.797 | S | S | * | * | cis | -127.2 | 177.6 | -49.9 | 37.6 | -23.9 | 0 | 0 | 0 | 112.3 | ||||
| 63 | S | 37.4 | Very low | 40.9 | Very low | 115 Ų | 115 | 132.7 Ų | 132.7 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | -166.5 | 147.3 | 134.8 | -81 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 64 | P | 50.1 | Low | 41.4 | Very low | 112 Ų | 112 | 135.6 Ų | 135.6 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -97.1 | 156.2 | -167.6 | 37.6 | -31.7 | 0 | 0 | 0 | 112.6 | ||
| 65 | P | 42.6 | Very low | 41.7 | Very low | 122 Ų | 122 | 138 Ų | 138 | 79% | 0.792 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 132 | 159.2 | 32.2 | -25.4 | 0 | 0 | 0 | 110.5 | ||
| 66 | L | 40.8 | Very low | 42.4 | Very low | 172 Ų | 172 | 137.9 Ų | 137.9 | 90% | 0.901 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 133.1 | 173.1 | -65.7 | 163 | 0 | 0 | 0 | 110.3 | ||
| 67 | R | 54 | Low | 43.1 | Very low | 234 Ų | 234 | 133.9 Ų | 133.9 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 142.6 | 169.6 | -73 | -176.3 | 175.2 | -164.1 | -2 | 110.3 | ||
| 68 | P | 44.3 | Very low | 43.5 | Very low | 124 Ų | 124 | 135.1 Ų | 135.1 | 81% | 0.805 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 141.8 | 167.5 | -13.2 | 28.6 | 0 | 0 | 0 | 111.7 | ||
| 69 | V | 52.4 | Low | 43.3 | Very low | 136 Ų | 136 | 137.7 Ų | 137.7 | 82% | 0.824 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 131.9 | 173.6 | 176.6 | 0 | 0 | 0 | 0 | 109.4 | ||
| 70 | P | 48 | Very low | 43.9 | Very low | 106 Ų | 106 | 138.6 Ų | 138.6 | 69% | 0.688 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -88 | 153.2 | 166.5 | 33.4 | -28.8 | 0 | 0 | 0 | 111.6 | ||
| 71 | P | 45.2 | Very low | 44.6 | Very low | 126 Ų | 126 | 142.6 Ų | 142.6 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 150.3 | -174.7 | 32.3 | -32.9 | 0 | 0 | 0 | 112.4 | A73 | P71-A73 PolarHBondContact O-N 3.43Š|
| 72 | L | 49.5 | Very low | 44.9 | Very low | 182 Ų | 182 | 140.1 Ų | 140.1 | 95% | 0.953 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 117.2 | 170.9 | -76.2 | 163.2 | 0 | 0 | 0 | 110.1 | ||
| 73 | A | 45.5 | Very low | 44.8 | Very low | 83 Ų | 83 | 140.4 Ų | 140.4 | 69% | 0.686 | 82% | 0.821 | S | S | * | * | trans | -151.6 | 128.4 | 157 | 0 | 0 | 0 | 0 | 0 | 110.6 | P71 | P71-A73 PolarHBondContact O-N 3.43Š| ||
| 74 | D | 41.7 | Very low | 45.2 | Very low | 151 Ų | 151 | 140.8 Ų | 140.8 | 81% | 0.807 | 82% | 0.821 | S | S | * | * | trans | 67 | 92.4 | 153.7 | -59.2 | -43.5 | 0 | 0 | 0 | 120.7 | ||||
| 75 | L | 37.5 | Very low | 44.4 | Very low | 186 Ų | 186 | 144.9 Ų | 144.9 | 97% | 0.974 | 83% | 0.828 | S | S | * | * | trans | -112.4 | 91 | 146 | -103.4 | 89.4 | 0 | 0 | 0 | 109.5 | ||||
| 76 | A | 45.1 | Very low | 44.5 | Very low | 93 Ų | 93 | 145.4 Ų | 145.4 | 77% | 0.769 | 83% | 0.828 | S | S | * | * | trans | -150.3 | 66.2 | 161.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 77 | S | 48.2 | Very low | 44.6 | Very low | 122 Ų | 122 | 144.9 Ų | 144.9 | 85% | 0.853 | 82% | 0.821 | S | S | * | * | trans | -169.1 | 94.4 | 154.5 | -136.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 78 | S | 37.9 | Very low | 44.1 | Very low | 118 Ų | 118 | 139.7 Ų | 139.7 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | trans | 176.6 | 85.4 | 148 | 55.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 79 | L | 42.8 | Very low | 43.8 | Very low | 174 Ų | 174 | 140.7 Ų | 140.7 | 91% | 0.911 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 125.2 | 161.1 | -91.2 | 153.3 | 0 | 0 | 0 | 108.2 | ||
| 80 | P | 42.2 | Very low | 42.8 | Very low | 122 Ų | 122 | 138.5 Ų | 138.5 | 79% | 0.792 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 138.3 | 173.9 | 28 | -29.9 | 0 | 0 | 0 | 111.7 | ||
| 81 | R | 45.3 | Very low | 42.6 | Very low | 249 Ų | 249 | 139.3 Ų | 139.3 | 94% | 0.94 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 127.5 | -179.7 | -171 | 165.3 | -173.1 | 126.2 | -0.8 | 110.3 | ||
| 82 | S | 42.1 | Very low | 42.7 | Very low | 106 Ų | 106 | 139.5 Ų | 139.5 | 74% | 0.741 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 148.5 | 176.7 | 49.8 | 0 | 0 | 0 | 0 | 112.8 | ||
| 83 | P | 49.4 | Very low | 41.9 | Very low | 116 Ų | 116 | 135.4 Ų | 135.4 | 75% | 0.753 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -82 | 162.6 | -177.9 | 33.6 | -34 | 0 | 0 | 0 | 113.2 | ||
| 84 | P | 44.5 | Very low | 42 | Very low | 123 Ų | 123 | 137 Ų | 137 | 80% | 0.799 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 141.3 | -175.2 | 32.8 | -32.4 | 0 | 0 | 0 | 112.8 | ||
| 85 | F | 34.2 | Very low | 41.5 | Very low | 198 Ų | 198 | 135.4 Ų | 135.4 | 87% | 0.868 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -85 | 134.7 | 170.6 | -139.1 | -97.8 | 0 | 0 | 0 | 109.2 | ||
| 86 | V | 44.6 | Very low | 41.2 | Very low | 133 Ų | 133 | 130.5 Ų | 130.5 | 81% | 0.806 | 81% | 0.807 | S | S | * | * | trans | -107.4 | 126.8 | 173.7 | -177.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 87 | E | 42.7 | Very low | 40.8 | Very low | 161 Ų | 161 | 133.1 Ų | 133.1 | 75% | 0.752 | 81% | 0.813 | S | S | * | * | trans | -126.6 | 144.1 | 173.9 | -167.5 | 168.1 | 165.9 | 0 | 0 | 109.8 | ||||
| 88 | P | 42.3 | Very low | 40.4 | Very low | 124 Ų | 124 | 136.3 Ų | 136.3 | 81% | 0.805 | 82% | 0.815 | S | S | * | * | trans | -89.5 | 146.8 | -160.5 | 33.8 | -30.6 | 0 | 0 | 0 | 113.5 | ||||
| 89 | V | 37.9 | Very low | 40.3 | Very low | 146 Ų | 146 | 136 Ų | 136 | 89% | 0.885 | 81% | 0.812 | S | S | * | * | trans | -113.9 | 135.9 | -179.2 | -168.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 90 | A | 33.3 | Very low | 39.9 | Very low | 90 Ų | 90 | 133.3 Ų | 133.3 | 74% | 0.744 | 80% | 0.803 | S | S | * | * | trans | -148.4 | 165.6 | 160.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 91 | P | 42.8 | Very low | 39.6 | Very low | 123 Ų | 123 | 132.3 Ų | 132.3 | 80% | 0.799 | 81% | 0.805 | S | S | * | * | -112.5 | 171.8 | -68.6 | 36.7 | -24.8 | 0 | 0 | 0 | 112 | |||||
| 92 | P | 46.4 | Very low | 39.1 | Very low | 129 Ų | 129 | 126.4 Ų | 126.4 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | trans | -104.8 | 151.9 | -177.4 | 37.6 | -29 | 0 | 0 | 0 | 114.3 | ||||
| 93 | A | 32.9 | Very low | 39.8 | Very low | 97 Ų | 97 | 126.8 Ų | 126.8 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | trans | -159.3 | 164.7 | 160.3 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 94 | P | 47.3 | Very low | 40 | Very low | 117 Ų | 117 | 126.8 Ų | 126.8 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | -127.6 | 163.9 | -106 | 35.2 | -17.7 | 0 | 0 | 0 | 114.2 | |||||
| 95 | S | 31.3 | Very low | 40 | Very low | 116 Ų | 116 | 127.1 Ų | 127.1 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | trans | 172.7 | 124.3 | 133.1 | -87.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 96 | A | 32.2 | Very low | 40.7 | Very low | 84 Ų | 84 | 127 Ų | 127 | 69% | 0.694 | 80% | 0.798 | S | S | * | * | trans | 39 | 119.9 | 130.3 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 97 | T | 37.2 | Very low | 40.9 | Very low | 147 Ų | 147 | 126.1 Ų | 126.1 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | -172.8 | 133.7 | 86.6 | 18.3 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 98 | E | 39 | Very low | 41.2 | Very low | 190 Ų | 190 | 123.8 Ų | 123.8 | 89% | 0.888 | 79% | 0.794 | S | S | * | * | trans | -89.8 | 129.1 | 179 | -171.4 | -175.9 | 151.2 | 0 | 0 | 108.6 | ||||
| 99 | S | 36.1 | Very low | 40.9 | Very low | 110 Ų | 110 | 124.4 Ų | 124.4 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | -157.9 | 108 | 157.4 | -113.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 100 | V | 34.2 | Very low | 40.9 | Very low | 119 Ų | 119 | 126 Ų | 126 | 72% | 0.721 | 79% | 0.793 | S | S | * | * | trans | 63.6 | 102.8 | 132.7 | -170.5 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 101 | A | 35.3 | Very low | 41.1 | Very low | 101 Ų | 101 | 129 Ų | 129 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | trans | -60.3 | 140.2 | 157.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 102 | T | 35.3 | Very low | 41 | Very low | 125 Ų | 125 | 129.3 Ų | 129.3 | 77% | 0.767 | 79% | 0.794 | S | S | * | * | trans | -134.4 | 129.2 | 163 | -35.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 103 | P | 56.6 | Low | 40.3 | Very low | 113 Ų | 113 | 128.7 Ų | 128.7 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 162.4 | -177.7 | 32.1 | -33.2 | 0 | 0 | 0 | 112.8 | ||
| 104 | P | 54.5 | Low | 40.5 | Very low | 116 Ų | 116 | 128.3 Ų | 128.3 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 155.9 | -171.6 | 30.5 | -35.7 | 0 | 0 | 0 | 113.5 | ||
| 105 | P | 43.8 | Very low | 40 | Very low | 130 Ų | 130 | 131.2 Ų | 131.2 | 84% | 0.844 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 137.3 | 179.8 | 30.7 | -32.1 | 0 | 0 | 0 | 111.8 | ||
| 106 | K | 48.4 | Very low | 40.5 | Very low | 197 Ų | 197 | 131.3 Ų | 131.3 | 86% | 0.857 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 148.6 | 170.5 | -78.2 | 179.2 | 177.6 | 177.9 | 0 | 111.1 | ||
| 107 | P | 49.2 | Very low | 40.8 | Very low | 113 Ų | 113 | 135 Ų | 135 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 149.8 | 175.5 | 30.4 | -32 | 0 | 0 | 0 | 111.9 | ||
| 108 | P | 48.8 | Very low | 41 | Very low | 113 Ų | 113 | 133.3 Ų | 133.3 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 126.3 | 175.9 | 29.6 | -30.2 | 0 | 0 | 0 | 111.5 | Q110 | P108-Q110 PolarHBondContact O-N 2.96Š|
| 109 | T | 37.4 | Very low | 41.2 | Very low | 137 Ų | 137 | 130.5 Ų | 130.5 | 84% | 0.84 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 117.6 | 163.7 | -53.5 | 0 | 0 | 0 | 0 | 109.3 | ||
| 110 | Q | 37.3 | Very low | 41.2 | Very low | 178 Ų | 178 | 129.6 Ų | 129.6 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | trans | -110.1 | 113.1 | 163.7 | -71.6 | -172.4 | 33.6 | 0 | 0 | 108.9 | P108 | P108-Q110 PolarHBondContact O-N 2.96Š| ||
| 111 | Q | 37.6 | Very low | 41.5 | Very low | 155 Ų | 155 | 129.6 Ų | 129.6 | 72% | 0.724 | 79% | 0.79 | S | S | * | * | trans | -92.2 | 128.1 | 169.5 | 179.3 | 177.7 | -32.4 | 0 | 0 | 107.2 | T113 | Q111-T113 PolarHBondContact O-N 2.96Š| ||
| 112 | P | 41.5 | Very low | 41.8 | Very low | 128 Ų | 128 | 131.3 Ų | 131.3 | 83% | 0.831 | 79% | 0.79 | S | S | * | * | trans | -78.9 | 100.3 | 169.2 | 27.6 | -24.3 | 0 | 0 | 0 | 108.3 | ||||
| 113 | T | 31.4 | Very low | 42.3 | Very low | 116 Ų | 116 | 130.8 Ų | 130.8 | 71% | 0.712 | 79% | 0.789 | S | S | * | * | trans | -80 | 115.9 | 162.2 | -66.5 | 0 | 0 | 0 | 0 | 107.2 | Q111 E115 | Q111-T113 PolarHBondContact O-N 2.96Å; T113-E115 PolarHBondContact O-N 3.24Å | ||
| 114 | A | 36.6 | Very low | 41.7 | Very low | 89 Ų | 89 | 133.8 Ų | 133.8 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | trans | -60.4 | 127.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 115 | E | 36.9 | Very low | 41.2 | Very low | 179 Ų | 179 | 134.5 Ų | 134.5 | 84% | 0.836 | 80% | 0.797 | S | S | * | * | trans | -95.9 | 115.9 | 168.4 | -155.7 | -176.9 | 151.9 | 0 | 0 | 107.6 | T113 L117 | T113-E115 PolarHBondContact O-N 3.24Å; E115-L117 PolarHBondContact O-N 3.45Å | ||
| 116 | P | 41 | Very low | 41.2 | Very low | 118 Ų | 118 | 134.4 Ų | 134.4 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | trans | -82.8 | 114.3 | 171.6 | -0.9 | 19.1 | 0 | 0 | 0 | 108.8 | S118 | P116-S118 PolarHBondContact O-N 3.39Š| ||
| 117 | L | 38.4 | Very low | 40.8 | Very low | 161 Ų | 161 | 129.4 Ų | 129.4 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 133 | 165.4 | -74.1 | 162.6 | 0 | 0 | 0 | 110.1 | E115 | E115-L117 PolarHBondContact O-N 3.45Š|
| 118 | S | 42.6 | Very low | 40.5 | Very low | 112 Ų | 112 | 130.2 Ų | 130.2 | 78% | 0.783 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 144 | 177.4 | -41.9 | 0 | 0 | 0 | 0 | 113 | P116 | P116-S118 PolarHBondContact O-N 3.39Š|
| 119 | P | 42.3 | Very low | 40.4 | Very low | 130 Ų | 130 | 130 Ų | 130 | 84% | 0.844 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 125.4 | 156.6 | -2.1 | 20.5 | 0 | 0 | 0 | 110.1 | ||
| 120 | A | 36.1 | Very low | 40.7 | Very low | 91 Ų | 91 | 133.3 Ų | 133.3 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 149.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 121 | S | 40.4 | Very low | 41 | Very low | 120 Ų | 120 | 129.8 Ų | 129.8 | 84% | 0.839 | 79% | 0.792 | S | S | * | * | trans | -42 | 126.5 | 171.8 | -50.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 122 | V | 40.8 | Very low | 41.2 | Very low | 136 Ų | 136 | 127.4 Ų | 127.4 | 82% | 0.824 | 79% | 0.792 | S | S | * | * | trans | -100.4 | 119.5 | 159.7 | -175.2 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 123 | P | 46.5 | Very low | 41.6 | Very low | 115 Ų | 115 | 127.6 Ų | 127.6 | 75% | 0.747 | 79% | 0.794 | S | S | * | * | trans | -73.2 | 145.8 | 179.7 | 27.1 | -30.3 | 0 | 0 | 0 | 112.1 | ||||
| 124 | E | 43.3 | Very low | 41.9 | Very low | 175 Ų | 175 | 128.5 Ų | 128.5 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | -40.9 | 140.8 | 171.4 | -83.4 | 166.9 | 103.4 | 0 | 0 | 113.8 | V126 | E124-V126 PolarHBondContact O-N 2.93Å; E124-V126 VanDerWaalsContact O-N 3.09Å | ||
| 125 | P | 44.2 | Very low | 42.2 | Very low | 131 Ų | 131 | 129.1 Ų | 129.1 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | trans | -72 | 105.7 | 163.6 | 30 | -28.7 | 0 | 0 | 0 | 108.7 | A127 | P125-A127 PolarHBondContact O-N 3.37Š| ||
| 126 | V | 43.8 | Very low | 42.9 | Very low | 129 Ų | 129 | 126.3 Ų | 126.3 | 78% | 0.782 | 80% | 0.795 | S | S | * | * | trans | -55.8 | 118.1 | 168.4 | -174.8 | 0 | 0 | 0 | 0 | 108.5 | E124 V128 | E124-V126 PolarHBondContact O-N 2.93Å; E124-V126 VanDerWaalsContact O-N 3.09Å; V126-V128 PolarHBondContact O-N 3.44Å; V126-V128 VanDerWaalsContact O-N 3.15Å | ||
| 127 | A | 40.5 | Very low | 43.4 | Very low | 92 Ų | 92 | 126.6 Ų | 126.6 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | trans | -56.4 | 114.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | P125 | P125-A127 PolarHBondContact O-N 3.37Š| ||
| 128 | V | 42.4 | Very low | 43.6 | Very low | 130 Ų | 130 | 123.2 Ų | 123.2 | 79% | 0.788 | 79% | 0.792 | S | S | * | * | trans | -74.7 | 130 | 170.7 | -178.6 | 0 | 0 | 0 | 0 | 108.1 | V126 Q130 | V126-V128 PolarHBondContact O-N 3.44Å; V126-V128 VanDerWaalsContact O-N 3.15Å; V128-Q130 PolarHBondContact O-N 2.94Å | ||
| 129 | P | 46.5 | Very low | 43.8 | Very low | 109 Ų | 109 | 124 Ų | 124 | 71% | 0.708 | 79% | 0.792 | S | S | * | * | trans | -70.8 | 126.7 | 176.5 | -6.1 | 20.7 | 0 | 0 | 0 | 110.1 | S131 | P129-S131 PolarHBondContact O-N 3.41Š| ||
| 130 | Q | 45.5 | Very low | 44.2 | Very low | 206 Ų | 206 | 123 Ų | 123 | 96% | 0.963 | 79% | 0.785 | S | S | * | * | trans | -66.4 | 108.7 | 160.6 | -81.5 | -178.2 | -34.4 | 0 | 0 | 108.8 | V128 | V128-Q130 PolarHBondContact O-N 2.94Š| ||
| 131 | S | 43.3 | Very low | 45 | Very low | 104 Ų | 104 | 124 Ų | 124 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | -114 | 109.2 | 165.8 | 46.8 | 0 | 0 | 0 | 0 | 110.3 | P129 | P129-S131 PolarHBondContact O-N 3.41Š| ||
| 132 | S | 42.1 | Very low | 45.6 | Very low | 104 Ų | 104 | 123.5 Ų | 123.5 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | trans | 52.3 | 135.1 | 146.4 | -55.3 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 133 | P | 49.8 | Very low | 46.2 | Very low | 133 Ų | 133 | 121.2 Ų | 121.2 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | trans | -76.8 | 127.8 | 170.7 | 33.3 | -29.7 | 0 | 0 | 0 | 109.2 | ||||
| 134 | V | 36.5 | Very low | 46.8 | Very low | 135 Ų | 135 | 121.1 Ų | 121.1 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | -125.2 | 128.8 | 168.2 | -171.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 135 | S | 44.4 | Very low | 47.8 | Very low | 101 Ų | 101 | 119.5 Ų | 119.5 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | trans | -34.7 | 153.4 | -174.2 | -53.7 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 136 | P | 50.8 | Low | 48.9 | Very low | 120 Ų | 120 | 120.6 Ų | 120.6 | 78% | 0.779 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 138.5 | 173.6 | 28.4 | -33.2 | 0 | 0 | 0 | 110.7 | ||
| 137 | P | 50.9 | Low | 50.2 | Low | 125 Ų | 125 | 116.7 Ų | 116.7 | 81% | 0.812 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 144.2 | 167.8 | 32.3 | -29.9 | 0 | 0 | 0 | 109.9 | ||
| 138 | A | 43.1 | Very low | 51.8 | Low | 90 Ų | 90 | 117 Ų | 117 | 74% | 0.744 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 144.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 139 | V | 46.3 | Very low | 53.6 | Low | 128 Ų | 128 | 118.6 Ų | 118.6 | 78% | 0.776 | 72% | 0.715 | S | S | * | * | trans | 7.5 | 115 | 146.9 | -166.7 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 140 | P | 51 | Low | 55.4 | Low | 109 Ų | 109 | 120.4 Ų | 120.4 | 71% | 0.708 | 71% | 0.711 | S | S | * | * | trans | -75.6 | 137.8 | 160.4 | 30.4 | -29.5 | 0 | 0 | 0 | 109.8 | ||||
| 141 | P | 53.6 | Low | 57.3 | Low | 111 Ų | 111 | 115.9 Ų | 115.9 | 72% | 0.721 | 69% | 0.693 | S | S | * | * | trans | -72.5 | 160.7 | 167.2 | 32.5 | -31.4 | 0 | 0 | 0 | 109.7 | V143 | P141-V143 PolarHBondContact O-N 2.93Š| ||
| 142 | A | 53 | Low | 59.3 | Low | 111 Ų | 111 | 114 Ų | 114 | 92% | 0.917 | 68% | 0.676 | S | S | * | * | trans | -40.8 | 99.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 143 | V | 52 | Low | 61.4 | Low | 88 Ų | 88 | 113 Ų | 113 | 53% | 0.533 | 66% | 0.663 | S | S | . | * | trans | -96.1 | 133.8 | 160.4 | 179.9 | 0 | 0 | 0 | 0 | 105.8 | P141 E145 L148 | P141-V143 PolarHBondContact O-N 2.93Å; V143-E145 PolarHBondContact O-N 3.43Å; V143-L148 HydrophobicContact CG1-CB 4.4Å | ||
| 144 | N | 60.2 | Low | 63.3 | Low | 112 Ų | 112 | 111.9 Ų | 111.9 | 60% | 0.599 | 65% | 0.647 | S | S | * | * | trans | -52.8 | 106 | 173.2 | -177.2 | -6.2 | 0 | 0 | 0 | 109 | E146 A147 L148 | N144-E146 PolarHBondContact O-N 3.46Å; N144-E146 PolarHBondContact OD1-N 2.95Å; N144-A147 HydrophobicContact CB-CB 4.45Å; N144-A147 PolarHBondContact O-N 3.48Å; N144-L148 PolarHBondContact O-N 3.45Å | ||
| 145 | E | 64 | Low | 65.8 | Low | 142 Ų | 142 | 110.3 Ų | 110.3 | 66% | 0.664 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -52.7 | -26.6 | -173.3 | -82.6 | -171.3 | 106.2 | 0 | 0 | 112.3 | V143 R149 | V143-E145 PolarHBondContact O-N 3.43Å; E145-R149 VanDerWaalsContact O-CG 3.3Å; E145-R149 WeakPolarHBondContact O-CG 3.38Å; E145-R149 PolarHBondContact O-N 3.32Å; E145-R149 VanDerWaalsContact O-N 3.11Å |
| 146 | E | 67.6 | Low | 68.1 | Low | 154 Ų | 154 | 112.8 Ų | 112.8 | 72% | 0.72 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -76.9 | -35 | -177.7 | -156.3 | 148.6 | -159.3 | 0 | 0 | 112.8 | N144 K150 | N144-E146 PolarHBondContact O-N 3.46Å; N144-E146 PolarHBondContact OD1-N 2.95Å; E146-K150 WeakPolarHBondContact O-CB 3.39Å; E146-K150 PolarHBondContact O-N 2.88Å; E146-K150 VanDerWaalsContact O-N 3.11Å |
| 147 | A | 70.7 | Confident | 70.2 | Confident | 47 Ų | 47 | 113.1 Ų | 113.1 | 39% | 0.388 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -70.7 | -37.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | N144 K150 I151 | N144-A147 HydrophobicContact CB-CB 4.45Å; N144-A147 PolarHBondContact O-N 3.48Å; A147-K150 PolarHBondContact O-N 3.25Å; A147-I151 WeakPolarHBondContact O-CD1 3.43Å; A147-I151 VanDerWaalsContact O-CG1 3.25Å; A147-I151 WeakPolarHBondContact O-CG1 3.46Å; A147-I151 PolarHBondContact O-N 3.49Å |
| 148 | L | 75.2 | Confident | 72.3 | Confident | 99 Ų | 99 | 110 Ų | 110 | 52% | 0.518 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -69.9 | -39.6 | 177.9 | -170 | 68.5 | 0 | 0 | 0 | 112.1 | V143 N144 I151 T152 | V143-L148 HydrophobicContact CG1-CB 4.4Å; N144-L148 PolarHBondContact O-N 3.45Å; L148-I151 PolarHBondContact O-N 3.49Å; L148-T152 WeakPolarHBondContact O-CB 3.37Å; L148-T152 PolarHBondContact O-N 3.44Å; L148-T152 PolarHBondContact O-OG1 3.39Å |
| 149 | R | 78.4 | Confident | 74.7 | Confident | 163 Ų | 163 | 109 Ų | 109 | 62% | 0.615 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -61.9 | -45.2 | 173 | -76.5 | -179.2 | -172 | -169.7 | 5.9 | 111.4 | E145 I151 T152 D153 | E145-R149 VanDerWaalsContact O-CG 3.3Å; E145-R149 WeakPolarHBondContact O-CG 3.38Å; E145-R149 PolarHBondContact O-N 3.32Å; E145-R149 VanDerWaalsContact O-N 3.11Å; R149-I151 PolarHBondContact O-N 3.19Å; R149-T152 WeakPolarHBondContact O-CB 3.05Å; R149-T152 PolarHBondContact O-N 3.23Å; R149-T152 VanDerWaalsContact O-N 3.13Å; R149-D153 WeakPolarHBondContact O-CB 3.42Å; R149-D153 PolarHBondContact O-N 3.24Å |
| 150 | K | 84.6 | Confident | 77 | Confident | 147 Ų | 147 | 105.4 Ų | 105.4 | 64% | 0.639 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -60.6 | -43 | 177.7 | -168.5 | 172 | -175.2 | 177.3 | 0 | 112.9 | E146 A147 T152 D153 E154 | E146-K150 WeakPolarHBondContact O-CB 3.39Å; E146-K150 PolarHBondContact O-N 2.88Å; E146-K150 VanDerWaalsContact O-N 3.11Å; A147-K150 PolarHBondContact O-N 3.25Å; K150-T152 VanDerWaalsContact C-N 3.33Å; K150-D153 PolarHBondContact O-N 2.97Å; K150-E154 WeakPolarHBondContact O-CB 3.49Å; K150-E154 WeakPolarHBondContact O-CG 3.43Å; K150-E154 PolarHBondContact O-N 3.27Å |
| 151 | I | 85 | Confident | 79.1 | Confident | 111 Ų | 111 | 106.3 Ų | 106.3 | 57% | 0.569 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -64.3 | -40.7 | 175 | -67.1 | 163.7 | 0 | 0 | 0 | 110.8 | A147 L148 R149 L155 | A147-I151 WeakPolarHBondContact O-CD1 3.43Å; A147-I151 VanDerWaalsContact O-CG1 3.25Å; A147-I151 WeakPolarHBondContact O-CG1 3.46Å; A147-I151 PolarHBondContact O-N 3.49Å; L148-I151 PolarHBondContact O-N 3.49Å; R149-I151 PolarHBondContact O-N 3.19Å; I151-L155 VanDerWaalsContact O-CB 3.26Å; I151-L155 WeakPolarHBondContact O-CB 3.4Å; I151-L155 PolarHBondContact O-N 2.93Å |
| 152 | T | 85.4 | Confident | 81.1 | Confident | 63 Ų | 63 | 106.8 Ų | 106.8 | 39% | 0.387 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.9 | -39.9 | 179.2 | -55.1 | 0 | 0 | 0 | 0 | 112 | L148 R149 K150 R156 | L148-T152 WeakPolarHBondContact O-CB 3.37Å; L148-T152 PolarHBondContact O-N 3.44Å; L148-T152 PolarHBondContact O-OG1 3.39Å; R149-T152 WeakPolarHBondContact O-CB 3.05Å; R149-T152 PolarHBondContact O-N 3.23Å; R149-T152 VanDerWaalsContact O-N 3.13Å; K150-T152 VanDerWaalsContact C-N 3.33Å; T152-R156 VanDerWaalsContact O-CB 3.31Å; T152-R156 WeakPolarHBondContact O-CB 3.32Å; T152-R156 PolarHBondContact O-N 2.94Å |
| 153 | D | 88.1 | Confident | 83.1 | Confident | 85 Ų | 85 | 108.7 Ų | 108.7 | 46% | 0.455 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -73.4 | -40.1 | 179.4 | -72.6 | -29.9 | 0 | 0 | 0 | 112.5 | R149 K150 R156 K157 | R149-D153 WeakPolarHBondContact O-CB 3.42Å; R149-D153 PolarHBondContact O-N 3.24Å; K150-D153 PolarHBondContact O-N 2.97Å; D153-R156 PolarHBondContact O-N 3.18Å; D153-R156 IonicContact OD1-NH1 3.8Å; D153-R156 PolarHBondContact OD1-NH1 3.5Å; D153-K157 VanDerWaalsContact O-CB 3.3Å; D153-K157 WeakPolarHBondContact O-CB 3.38Å; D153-K157 PolarHBondContact O-N 2.93Å |
| 154 | E | 88.7 | Confident | 85.3 | Confident | 109 Ų | 109 | 107 Ų | 107 | 51% | 0.509 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.9 | -41.3 | 172.4 | -73.3 | -62.1 | 152.8 | 0 | 0 | 111.4 | K150 K157 D158 | K150-E154 WeakPolarHBondContact O-CB 3.49Å; K150-E154 WeakPolarHBondContact O-CG 3.43Å; K150-E154 PolarHBondContact O-N 3.27Å; E154-K157 PolarHBondContact O-N 2.93Å; E154-D158 WeakPolarHBondContact O-CB 3.48Å; E154-D158 PolarHBondContact O-N 3.21Å |
| 155 | L | 89.9 | Confident | 87 | Confident | 101 Ų | 101 | 107.8 Ų | 107.8 | 53% | 0.529 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.5 | -41.3 | 174.3 | -176.2 | 64 | 0 | 0 | 0 | 111.7 | I151 K157 D158 L159 | I151-L155 VanDerWaalsContact O-CB 3.26Å; I151-L155 WeakPolarHBondContact O-CB 3.4Å; I151-L155 PolarHBondContact O-N 2.93Å; L155-K157 VanDerWaalsContact C-N 3.33Å; L155-K157 PolarHBondContact O-N 3.48Å; L155-D158 PolarHBondContact O-N 2.02Å; L155-L159 HydrophobicContact CD1-CG 4.49Å; L155-L159 HydrophobicContact CG-CD1 4.23Å; L155-L159 WeakPolarHBondContact O-CB 3.35Å; L155-L159 VanDerWaalsContact O-CG 3.25Å; L155-L159 WeakPolarHBondContact O-CG 3.31Å; L155-L159 PolarHBondContact O-N 3.36Å |
| 156 | R | 91.6 | Very high | 88.5 | Confident | 153 Ų | 153 | 103.5 Ų | 103.5 | 58% | 0.577 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.4 | -42 | 175.3 | -176.9 | -177.2 | -73.5 | 123.7 | -4.6 | 111.1 | T152 D153 A160 | T152-R156 VanDerWaalsContact O-CB 3.31Å; T152-R156 WeakPolarHBondContact O-CB 3.32Å; T152-R156 PolarHBondContact O-N 2.94Å; D153-R156 PolarHBondContact O-N 3.18Å; D153-R156 IonicContact OD1-NH1 3.8Å; D153-R156 PolarHBondContact OD1-NH1 3.5Å; R156-A160 WeakPolarHBondContact O-CB 3.27Å; R156-A160 PolarHBondContact O-N 2.75Å |
| 157 | K | 95.4 | Very high | 89.9 | Confident | 128 Ų | 128 | 102.6 Ų | 102.6 | 56% | 0.557 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66 | -45.4 | 177.8 | -174.8 | -178.7 | 176.2 | -173.5 | 0 | 111.8 | D153 E154 L155 A160 Q161 | D153-K157 VanDerWaalsContact O-CB 3.3Å; D153-K157 WeakPolarHBondContact O-CB 3.38Å; D153-K157 PolarHBondContact O-N 2.93Å; E154-K157 PolarHBondContact O-N 2.93Å; L155-K157 VanDerWaalsContact C-N 3.33Å; L155-K157 PolarHBondContact O-N 3.48Å; K157-A160 PolarHBondContact O-N 3.31Å; K157-Q161 WeakPolarHBondContact O-CB 3.3Å; K157-Q161 PolarHBondContact O-N 2.9Å |
| 158 | D | 94.1 | Very high | 91.1 | Very high | 59 Ų | 59 | 106.8 Ų | 106.8 | 32% | 0.316 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.3 | -43.3 | 175.6 | -179 | 59.3 | 0 | 0 | 0 | 111.5 | E154 L155 A160 Q161 K162 | E154-D158 WeakPolarHBondContact O-CB 3.48Å; E154-D158 PolarHBondContact O-N 3.21Å; L155-D158 PolarHBondContact O-N 2.02Å; D158-A160 PolarHBondContact O-N 3.27Å; D158-Q161 PolarHBondContact O-N 3.07Å; D158-K162 WeakPolarHBondContact O-CB 3.47Å; D158-K162 VanDerWaalsContact O-CG 3.3Å; D158-K162 WeakPolarHBondContact O-CG 3.41Å; D158-K162 PolarHBondContact O-N 3.4Å; D158-K162 IonicContact OD1-NZ 3.27Å; D158-K162 WeakPolarHBondContact OD2-CE 3.46Å; D158-K162 IonicContact OD2-NZ 3.91Å; D158-K162 PolarHBondContact OD2-NZ 3.3Å |
| 159 | L | 93.2 | Very high | 92.2 | Very high | 70 Ų | 70 | 106.4 Ų | 106.4 | 37% | 0.366 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65 | -38.1 | 174.7 | -71.8 | 173.5 | 0 | 0 | 0 | 112.6 | L155 R163 | L155-L159 HydrophobicContact CD1-CG 4.49Å; L155-L159 HydrophobicContact CG-CD1 4.23Å; L155-L159 WeakPolarHBondContact O-CB 3.35Å; L155-L159 VanDerWaalsContact O-CG 3.25Å; L155-L159 WeakPolarHBondContact O-CG 3.31Å; L155-L159 PolarHBondContact O-N 3.36Å; L159-R163 VanDerWaalsContact O-CG 3.32Å; L159-R163 WeakPolarHBondContact O-CG 3.34Å; L159-R163 PolarHBondContact O-N 3Å |
| 160 | A | 94.9 | Very high | 93 | Very high | 51 Ų | 51 | 104.8 Ų | 104.8 | 42% | 0.421 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.7 | -42.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | R156 K157 D158 R163 A164 | R156-A160 WeakPolarHBondContact O-CB 3.27Å; R156-A160 PolarHBondContact O-N 2.75Å; K157-A160 PolarHBondContact O-N 3.31Å; D158-A160 PolarHBondContact O-N 3.27Å; A160-R163 PolarHBondContact O-N 3.45Å; A160-A164 WeakPolarHBondContact O-CB 3.49Å; A160-A164 PolarHBondContact O-N 3.34Å |
| 161 | Q | 95.9 | Very high | 93.6 | Very high | 128 Ų | 128 | 102.7 Ų | 102.7 | 60% | 0.598 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.6 | -41.3 | 175.4 | -176.5 | 176.3 | -8.2 | 0 | 0 | 111.6 | K157 D158 A164 K165 | K157-Q161 WeakPolarHBondContact O-CB 3.3Å; K157-Q161 PolarHBondContact O-N 2.9Å; D158-Q161 PolarHBondContact O-N 3.07Å; Q161-A164 PolarHBondContact O-N 2.7Å; Q161-K165 VanDerWaalsContact O-CB 3.29Å; Q161-K165 WeakPolarHBondContact O-CB 3.37Å; Q161-K165 PolarHBondContact O-N 3.17Å |
| 162 | K | 95.8 | Very high | 94.2 | Very high | 121 Ų | 121 | 100 Ų | 100 | 53% | 0.526 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.8 | -39.9 | 174.6 | -77.7 | 172 | 176.6 | 164.3 | 0 | 112.2 | D158 A166 | D158-K162 WeakPolarHBondContact O-CB 3.47Å; D158-K162 VanDerWaalsContact O-CG 3.3Å; D158-K162 WeakPolarHBondContact O-CG 3.41Å; D158-K162 PolarHBondContact O-N 3.4Å; D158-K162 IonicContact OD1-NZ 3.27Å; D158-K162 WeakPolarHBondContact OD2-CE 3.46Å; D158-K162 IonicContact OD2-NZ 3.91Å; D158-K162 PolarHBondContact OD2-NZ 3.3Å; K162-A166 VanDerWaalsContact O-CB 3.26Å; K162-A166 WeakPolarHBondContact O-CB 3.26Å; K162-A166 PolarHBondContact O-N 2.92Å |
| 163 | R | 95.1 | Very high | 94.7 | Very high | 152 Ų | 152 | 104.3 Ų | 104.3 | 57% | 0.574 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.7 | -49.5 | 173.6 | -74.9 | -179.7 | -170.1 | 104.8 | -1.6 | 111.5 | L159 A160 K165 A166 E167 | L159-R163 VanDerWaalsContact O-CG 3.32Å; L159-R163 WeakPolarHBondContact O-CG 3.34Å; L159-R163 PolarHBondContact O-N 3Å; A160-R163 PolarHBondContact O-N 3.45Å; R163-K165 VanDerWaalsContact C-N 3.31Å; R163-K165 PolarHBondContact O-N 2.83Å; R163-A166 PolarHBondContact O-N 3.08Å; R163-E167 WeakPolarHBondContact O-CB 3.2Å; R163-E167 WeakPolarHBondContact O-CG 3.41Å; R163-E167 PolarHBondContact O-N 3.29Å |
| 164 | A | 96.6 | Very high | 95.2 | Very high | 53 Ų | 53 | 106.4 Ų | 106.4 | 44% | 0.438 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.9 | -40.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A160 Q161 Q168 | A160-A164 WeakPolarHBondContact O-CB 3.49Å; A160-A164 PolarHBondContact O-N 3.34Å; Q161-A164 PolarHBondContact O-N 2.7Å; A164-Q168 WeakPolarHBondContact O-CB 2.98Å; A164-Q168 PolarHBondContact O-N 2.87Å |
| 165 | K | 96.6 | Very high | 95.6 | Very high | 128 Ų | 128 | 104.9 Ų | 104.9 | 56% | 0.557 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.6 | -44.8 | 174.7 | -174.8 | 175.5 | 179.1 | -179.5 | 0 | 111.8 | Q161 R163 E167 Q168 D169 | Q161-K165 VanDerWaalsContact O-CB 3.29Å; Q161-K165 WeakPolarHBondContact O-CB 3.37Å; Q161-K165 PolarHBondContact O-N 3.17Å; R163-K165 VanDerWaalsContact C-N 3.31Å; R163-K165 PolarHBondContact O-N 2.83Å; K165-E167 VanDerWaalsContact C-N 3.34Å; K165-E167 PolarHBondContact O-N 2.79Å; K165-Q168 PolarHBondContact O-N 3.12Å; K165-D169 WeakPolarHBondContact O-CB 3.04Å; K165-D169 VanDerWaalsContact O-CG 3.24Å; K165-D169 PolarHBondContact O-N 2.97Å |
| 166 | A | 96.1 | Very high | 96 | Very high | 51 Ų | 51 | 101.9 Ų | 101.9 | 42% | 0.421 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.4 | -39.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | K162 R163 D169 M170 | K162-A166 VanDerWaalsContact O-CB 3.26Å; K162-A166 WeakPolarHBondContact O-CB 3.26Å; K162-A166 PolarHBondContact O-N 2.92Å; R163-A166 PolarHBondContact O-N 3.08Å; A166-D169 PolarHBondContact O-N 2.75Å; A166-M170 VanDerWaalsContact O-CB 3.28Å; A166-M170 WeakPolarHBondContact O-CB 3.29Å; A166-M170 WeakPolarHBondContact O-CG 3.3Å; A166-M170 PolarHBondContact O-N 3.26Å |
| 167 | E | 96.3 | Very high | 96.3 | Very high | 135 Ų | 135 | 98.3 Ų | 98.3 | 63% | 0.631 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63.3 | -44.2 | 173.5 | -74.4 | 169.1 | -175.6 | 0 | 0 | 111.4 | R163 K165 M170 Q171 | R163-E167 WeakPolarHBondContact O-CB 3.2Å; R163-E167 WeakPolarHBondContact O-CG 3.41Å; R163-E167 PolarHBondContact O-N 3.29Å; K165-E167 VanDerWaalsContact C-N 3.34Å; K165-E167 PolarHBondContact O-N 2.79Å; E167-M170 PolarHBondContact O-N 3.49Å; E167-Q171 VanDerWaalsContact O-CB 3.32Å; E167-Q171 WeakPolarHBondContact O-CB 3.39Å; E167-Q171 PolarHBondContact O-N 2.81Å |
| 168 | Q | 97.2 | Very high | 96.4 | Very high | 136 Ų | 136 | 98.2 Ų | 98.2 | 64% | 0.636 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64.1 | -44.4 | 176.4 | -174.3 | 178.9 | 4.2 | 0 | 0 | 112.2 | A164 K165 Q171 A172 | A164-Q168 WeakPolarHBondContact O-CB 2.98Å; A164-Q168 PolarHBondContact O-N 2.87Å; K165-Q168 PolarHBondContact O-N 3.12Å; Q168-Q171 PolarHBondContact O-N 3.45Å; Q168-A172 VanDerWaalsContact O-CB 3.28Å; Q168-A172 WeakPolarHBondContact O-CB 3.39Å; Q168-A172 PolarHBondContact O-N 2.91Å |
| 169 | D | 96.8 | Very high | 96.6 | Very high | 91 Ų | 91 | 97.9 Ų | 97.9 | 49% | 0.487 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65 | -41 | 178.9 | -71.7 | -16.1 | 0 | 0 | 0 | 110.7 | K165 A166 W173 | K165-D169 WeakPolarHBondContact O-CB 3.04Å; K165-D169 VanDerWaalsContact O-CG 3.24Å; K165-D169 PolarHBondContact O-N 2.97Å; A166-D169 PolarHBondContact O-N 2.75Å; D169-W173 VanDerWaalsContact O-CB 3.31Å; D169-W173 WeakPolarHBondContact O-CB 3.32Å; D169-W173 PolarHBondContact O-N 3.28Å |
| 170 | M | 95.4 | Very high | 96.8 | Very high | 129 Ų | 129 | 101.3 Ų | 101.3 | 64% | 0.635 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.1 | -43.8 | 173.7 | -78.6 | -69.1 | -63.9 | 0 | 0 | 112.2 | A166 E167 W173 Y174 | A166-M170 VanDerWaalsContact O-CB 3.28Å; A166-M170 WeakPolarHBondContact O-CB 3.29Å; A166-M170 WeakPolarHBondContact O-CG 3.3Å; A166-M170 PolarHBondContact O-N 3.26Å; E167-M170 PolarHBondContact O-N 3.49Å; M170-W173 PolarHBondContact O-N 2.81Å; M170-Y174 PolarHBondContact O-N 3.33Å |
| 171 | Q | 96.7 | Very high | 96.9 | Very high | 102 Ų | 102 | 101.5 Ų | 101.5 | 48% | 0.477 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.5 | -45.9 | 178 | -175 | 60 | 41.7 | 0 | 0 | 111.3 | E167 Q168 W173 Y174 D175 | E167-Q171 VanDerWaalsContact O-CB 3.32Å; E167-Q171 WeakPolarHBondContact O-CB 3.39Å; E167-Q171 PolarHBondContact O-N 2.81Å; Q168-Q171 PolarHBondContact O-N 3.45Å; Q171-W173 VanDerWaalsContact C-N 3.29Å; Q171-W173 PolarHBondContact O-N 3.32Å; Q171-Y174 PolarHBondContact O-N 3.4Å; Q171-D175 PolarHBondContact NE2-OD1 3.5Å; Q171-D175 PolarHBondContact NE2-OD2 3.31Å; Q171-D175 PolarHBondContact O-N 2.91Å |
| 172 | A | 97.8 | Very high | 97 | Very high | 55 Ų | 55 | 98.1 Ų | 98.1 | 46% | 0.455 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.2 | -39.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q168 A176 | Q168-A172 VanDerWaalsContact O-CB 3.28Å; Q168-A172 WeakPolarHBondContact O-CB 3.39Å; Q168-A172 PolarHBondContact O-N 2.91Å; A172-A176 VanDerWaalsContact O-CB 3.26Å; A172-A176 WeakPolarHBondContact O-CB 3.27Å; A172-A176 PolarHBondContact O-N 3.46Å |
| 173 | W | 96.9 | Very high | 97.1 | Very high | 153 Ų | 153 | 95 Ų | 95 | 58% | 0.58 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.7 | -45.7 | 174.3 | -178.5 | 88.4 | 0 | 0 | 0 | 111.8 | D169 M170 Q171 A176 E177 | D169-W173 VanDerWaalsContact O-CB 3.31Å; D169-W173 WeakPolarHBondContact O-CB 3.32Å; D169-W173 PolarHBondContact O-N 3.28Å; M170-W173 PolarHBondContact O-N 2.81Å; Q171-W173 VanDerWaalsContact C-N 3.29Å; Q171-W173 PolarHBondContact O-N 3.32Å; W173-A176 PolarHBondContact O-N 2.88Å; W173-E177 WeakPolarHBondContact O-CB 3.44Å; W173-E177 PolarHBondContact O-N 3.47Å |
| 174 | Y | 97.6 | Very high | 97.2 | Very high | 129 Ų | 129 | 93.8 Ų | 93.8 | 51% | 0.506 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.8 | -45.7 | 177.1 | 176.5 | -95.2 | 0 | 0 | 0 | 112.2 | M170 Q171 A176 E177 K178 | M170-Y174 PolarHBondContact O-N 3.33Å; Q171-Y174 PolarHBondContact O-N 3.4Å; Y174-A176 VanDerWaalsContact C-N 3.35Å; Y174-A176 PolarHBondContact O-N 2.83Å; Y174-E177 PolarHBondContact O-N 3.33Å; Y174-K178 HydrophobicContact CE1-CD 4.23Å; Y174-K178 WeakPolarHBondContact O-CB 3.43Å; Y174-K178 PolarHBondContact O-N 2.92Å |
| 175 | D | 97.9 | Very high | 97.3 | Very high | 77 Ų | 77 | 94 Ų | 94 | 41% | 0.412 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.5 | -38.5 | 179.6 | -69.9 | -31.8 | 0 | 0 | 0 | 111.5 | Q171 K178 A179 | Q171-D175 PolarHBondContact NE2-OD1 3.5Å; Q171-D175 PolarHBondContact NE2-OD2 3.31Å; Q171-D175 PolarHBondContact O-N 2.91Å; D175-K178 PolarHBondContact O-N 3.39Å; D175-A179 WeakPolarHBondContact O-CB 3.39Å; D175-A179 PolarHBondContact O-N 3.01Å |
| 176 | A | 97.8 | Very high | 97.3 | Very high | 39 Ų | 39 | 93.7 Ų | 93.7 | 32% | 0.322 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.9 | -42.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A172 W173 Y174 A179 R180 | A172-A176 VanDerWaalsContact O-CB 3.26Å; A172-A176 WeakPolarHBondContact O-CB 3.27Å; A172-A176 PolarHBondContact O-N 3.46Å; W173-A176 PolarHBondContact O-N 2.88Å; Y174-A176 VanDerWaalsContact C-N 3.35Å; Y174-A176 PolarHBondContact O-N 2.83Å; A176-A179 PolarHBondContact O-N 3.17Å; A176-R180 WeakPolarHBondContact O-CG 3.33Å; A176-R180 PolarHBondContact O-N 2.85Å |
| 177 | E | 97.7 | Very high | 97.4 | Very high | 78 Ų | 78 | 93.8 Ų | 93.8 | 36% | 0.364 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.8 | -41.9 | 178.3 | -167.1 | 57.8 | -152.6 | 0 | 0 | 111.5 | W173 Y174 A179 R180 A181 | W173-E177 WeakPolarHBondContact O-CB 3.44Å; W173-E177 PolarHBondContact O-N 3.47Å; Y174-E177 PolarHBondContact O-N 3.33Å; E177-A179 VanDerWaalsContact C-N 3.34Å; E177-A179 PolarHBondContact O-N 3.37Å; E177-R180 PolarHBondContact O-N 3.08Å; E177-R180 IonicContact OE2-CZ 3.97Å; E177-R180 IonicContact OE2-NH1 2.67Å; E177-R180 PolarHBondContact OE2-NH1 3.49Å; E177-A181 WeakPolarHBondContact O-CB 3.5Å; E177-A181 PolarHBondContact O-N 2.92Å |
| 178 | K | 97.6 | Very high | 97.5 | Very high | 125 Ų | 125 | 91.2 Ų | 91.2 | 54% | 0.543 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61 | -42 | 173.3 | -174 | 177.6 | -179.2 | 179.8 | 0 | 111.9 | Y174 D175 A181 S182 | Y174-K178 HydrophobicContact CE1-CD 4.23Å; Y174-K178 WeakPolarHBondContact O-CB 3.43Å; Y174-K178 PolarHBondContact O-N 2.92Å; D175-K178 PolarHBondContact O-N 3.39Å; K178-A181 PolarHBondContact O-N 3.23Å; K178-S182 WeakPolarHBondContact O-CB 3.44Å; K178-S182 PolarHBondContact O-N 3.09Å; K178-S182 PolarHBondContact O-OG 2.74Å |
| 179 | A | 97.9 | Very high | 97.5 | Very high | 53 Ų | 53 | 87.2 Ų | 87.2 | 44% | 0.438 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.7 | -45.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | D175 A176 E177 S182 A183 | D175-A179 WeakPolarHBondContact O-CB 3.39Å; D175-A179 PolarHBondContact O-N 3.01Å; A176-A179 PolarHBondContact O-N 3.17Å; E177-A179 VanDerWaalsContact C-N 3.34Å; E177-A179 PolarHBondContact O-N 3.37Å; A179-S182 PolarHBondContact O-N 2.96Å; A179-S182 PolarHBondContact O-OG 3.43Å; A179-A183 WeakPolarHBondContact O-CB 3.28Å; A179-A183 PolarHBondContact O-N 3.34Å |
| 180 | R | 97.4 | Very high | 97.6 | Very high | 141 Ų | 141 | 88.7 Ų | 88.7 | 53% | 0.532 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59.6 | -49.4 | 175.3 | -71.1 | 178.2 | -155.6 | 146 | 0.8 | 112 | A176 E177 S182 A183 Q184 | A176-R180 WeakPolarHBondContact O-CG 3.33Å; A176-R180 PolarHBondContact O-N 2.85Å; E177-R180 PolarHBondContact O-N 3.08Å; E177-R180 IonicContact OE2-CZ 3.97Å; E177-R180 IonicContact OE2-NH1 2.67Å; E177-R180 PolarHBondContact OE2-NH1 3.49Å; R180-S182 VanDerWaalsContact C-N 3.28Å; R180-S182 PolarHBondContact O-N 2.92Å; R180-A183 PolarHBondContact O-N 2.9Å; R180-Q184 WeakPolarHBondContact O-CB 3.39Å; R180-Q184 PolarHBondContact O-N 3.45Å |
| 181 | A | 97.8 | Very high | 97.7 | Very high | 55 Ų | 55 | 85 Ų | 85 | 46% | 0.455 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -58.8 | -41.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | E177 K178 A185 | E177-A181 WeakPolarHBondContact O-CB 3.5Å; E177-A181 PolarHBondContact O-N 2.92Å; K178-A181 PolarHBondContact O-N 3.23Å; A181-A185 WeakPolarHBondContact O-CB 3.47Å; A181-A185 PolarHBondContact O-N 3.35Å |
| 182 | S | 97.8 | Very high | 97.8 | Very high | 58 Ų | 58 | 86.9 Ų | 86.9 | 41% | 0.406 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -68.2 | -39.9 | 177.3 | 74.3 | 0 | 0 | 0 | 0 | 113.2 | K178 A179 R180 A185 Q186 | K178-S182 WeakPolarHBondContact O-CB 3.44Å; K178-S182 PolarHBondContact O-N 3.09Å; K178-S182 PolarHBondContact O-OG 2.74Å; A179-S182 PolarHBondContact O-N 2.96Å; A179-S182 PolarHBondContact O-OG 3.43Å; R180-S182 VanDerWaalsContact C-N 3.28Å; R180-S182 PolarHBondContact O-N 2.92Å; S182-A185 PolarHBondContact O-N 3.31Å; S182-Q186 VanDerWaalsContact O-CG 3.3Å; S182-Q186 WeakPolarHBondContact O-CG 3.4Å; S182-Q186 PolarHBondContact O-N 3.19Å |
| 183 | A | 98.1 | Very high | 97.8 | Very high | 55 Ų | 55 | 88.4 Ų | 88.4 | 46% | 0.455 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.2 | -41.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | A179 R180 Q186 A187 | A179-A183 WeakPolarHBondContact O-CB 3.28Å; A179-A183 PolarHBondContact O-N 3.34Å; R180-A183 PolarHBondContact O-N 2.9Å; A183-Q186 PolarHBondContact O-N 3.48Å; A183-A187 WeakPolarHBondContact O-CB 3.26Å; A183-A187 PolarHBondContact O-N 2.9Å |
| 184 | Q | 97.8 | Very high | 97.8 | Very high | 126 Ų | 126 | 87.5 Ų | 87.5 | 59% | 0.589 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.8 | -45.9 | 174.7 | -175.2 | 166.9 | 0.7 | 0 | 0 | 111.3 | R180 Q186 A187 D188 | R180-Q184 WeakPolarHBondContact O-CB 3.39Å; R180-Q184 PolarHBondContact O-N 3.45Å; Q184-Q186 VanDerWaalsContact C-N 3.29Å; Q184-Q186 PolarHBondContact O-N 2.94Å; Q184-A187 PolarHBondContact O-N 3.48Å; Q184-D188 WeakPolarHBondContact O-CB 3.34Å; Q184-D188 VanDerWaalsContact O-CG 3.27Å; Q184-D188 PolarHBondContact O-N 2.93Å |
| 185 | A | 97.7 | Very high | 97.9 | Very high | 59 Ų | 59 | 87.6 Ų | 87.6 | 49% | 0.488 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.2 | -37.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A181 S182 A189 | A181-A185 WeakPolarHBondContact O-CB 3.47Å; A181-A185 PolarHBondContact O-N 3.35Å; S182-A185 PolarHBondContact O-N 3.31Å; A185-A189 VanDerWaalsContact O-CB 3.26Å; A185-A189 WeakPolarHBondContact O-CB 3.39Å; A185-A189 PolarHBondContact O-N 2.7Å |
| 186 | Q | 97.8 | Very high | 97.9 | Very high | 121 Ų | 121 | 88 Ų | 88 | 57% | 0.565 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -68.5 | -43.1 | 174.8 | -74 | 176.1 | 9.5 | 0 | 0 | 112.3 | S182 A183 Q184 A189 Q190 | S182-Q186 VanDerWaalsContact O-CG 3.3Å; S182-Q186 WeakPolarHBondContact O-CG 3.4Å; S182-Q186 PolarHBondContact O-N 3.19Å; A183-Q186 PolarHBondContact O-N 3.48Å; Q184-Q186 VanDerWaalsContact C-N 3.29Å; Q184-Q186 PolarHBondContact O-N 2.94Å; Q186-A189 PolarHBondContact O-N 3.38Å; Q186-Q190 WeakPolarHBondContact O-CB 3.44Å; Q186-Q190 VanDerWaalsContact O-CG 3.29Å; Q186-Q190 WeakPolarHBondContact O-CG 3.01Å; Q186-Q190 PolarHBondContact O-N 2.91Å |
| 187 | A | 98.2 | Very high | 97.9 | Very high | 52 Ų | 52 | 90.8 Ų | 90.8 | 43% | 0.43 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.3 | -45 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | A183 Q184 A189 Q190 A191 | A183-A187 WeakPolarHBondContact O-CB 3.26Å; A183-A187 PolarHBondContact O-N 2.9Å; Q184-A187 PolarHBondContact O-N 3.48Å; A187-A189 PolarHBondContact O-N 3.31Å; A187-Q190 PolarHBondContact O-N 3.44Å; A187-A191 WeakPolarHBondContact O-CB 3.28Å; A187-A191 PolarHBondContact O-N 3.03Å |
| 188 | D | 98 | Very high | 97.9 | Very high | 82 Ų | 82 | 90.4 Ų | 90.4 | 44% | 0.439 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.9 | -41 | 177 | -69.3 | -16.2 | 0 | 0 | 0 | 111.5 | Q184 A191 K192 | Q184-D188 WeakPolarHBondContact O-CB 3.34Å; Q184-D188 VanDerWaalsContact O-CG 3.27Å; Q184-D188 PolarHBondContact O-N 2.93Å; D188-A191 PolarHBondContact O-N 3.49Å; D188-K192 VanDerWaalsContact O-CG 3.3Å; D188-K192 WeakPolarHBondContact O-CG 3.37Å; D188-K192 PolarHBondContact O-N 2.92Å |
| 189 | A | 97.6 | Very high | 97.9 | Very high | 52 Ų | 52 | 91 Ų | 91 | 43% | 0.43 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.9 | -43.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | A185 Q186 A187 K192 V193 | A185-A189 VanDerWaalsContact O-CB 3.26Å; A185-A189 WeakPolarHBondContact O-CB 3.39Å; A185-A189 PolarHBondContact O-N 2.7Å; Q186-A189 PolarHBondContact O-N 3.38Å; A187-A189 PolarHBondContact O-N 3.31Å; A189-K192 PolarHBondContact O-N 3.24Å; A189-V193 WeakPolarHBondContact O-CG2 3.34Å; A189-V193 PolarHBondContact O-N 3.38Å |
| 190 | Q | 97.8 | Very high | 97.9 | Very high | 121 Ų | 121 | 92.9 Ų | 92.9 | 57% | 0.565 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.6 | -41.7 | 177.1 | -74.2 | 178.1 | 8.7 | 0 | 0 | 112 | Q186 A187 K192 V193 Q194 | Q186-Q190 WeakPolarHBondContact O-CB 3.44Å; Q186-Q190 VanDerWaalsContact O-CG 3.29Å; Q186-Q190 WeakPolarHBondContact O-CG 3.01Å; Q186-Q190 PolarHBondContact O-N 2.91Å; A187-Q190 PolarHBondContact O-N 3.44Å; Q190-K192 PolarHBondContact O-N 3.29Å; Q190-V193 PolarHBondContact O-N 3.37Å; Q190-Q194 WeakPolarHBondContact O-CB 3.3Å; Q190-Q194 WeakPolarHBondContact O-CG 3.48Å; Q190-Q194 PolarHBondContact O-N 3.31Å |
| 191 | A | 98.1 | Very high | 97.9 | Very high | 53 Ų | 53 | 89.9 Ų | 89.9 | 44% | 0.438 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.5 | -45.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | A187 D188 V193 Q194 E195 | A187-A191 WeakPolarHBondContact O-CB 3.28Å; A187-A191 PolarHBondContact O-N 3.03Å; D188-A191 PolarHBondContact O-N 3.49Å; A191-V193 PolarHBondContact O-N 3.34Å; A191-Q194 PolarHBondContact O-N 2.99Å; A191-E195 WeakPolarHBondContact O-CB 3.42Å; A191-E195 PolarHBondContact O-N 3.06Å |
| 192 | K | 97.8 | Very high | 97.9 | Very high | 141 Ų | 141 | 90.1 Ų | 90.1 | 61% | 0.613 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60.8 | -43.3 | 175.5 | -73.4 | 173.7 | -176.9 | -179.8 | 0 | 112.4 | D188 A189 Q190 E195 E196 | D188-K192 VanDerWaalsContact O-CG 3.3Å; D188-K192 WeakPolarHBondContact O-CG 3.37Å; D188-K192 PolarHBondContact O-N 2.92Å; A189-K192 PolarHBondContact O-N 3.24Å; Q190-K192 PolarHBondContact O-N 3.29Å; K192-E195 PolarHBondContact O-N 3.33Å; K192-E196 WeakPolarHBondContact O-CG 3.02Å; K192-E196 PolarHBondContact O-N 3.42Å |
| 193 | V | 98.3 | Very high | 97.9 | Very high | 87 Ų | 87 | 91 Ų | 91 | 53% | 0.527 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.5 | -44.1 | 176.8 | 170.7 | 0 | 0 | 0 | 0 | 110.9 | A189 Q190 A191 E195 E196 L197 | A189-V193 WeakPolarHBondContact O-CG2 3.34Å; A189-V193 PolarHBondContact O-N 3.38Å; Q190-V193 PolarHBondContact O-N 3.37Å; A191-V193 PolarHBondContact O-N 3.34Å; V193-E195 PolarHBondContact O-N 2.93Å; V193-E196 PolarHBondContact O-N 3.19Å; V193-L197 HydrophobicContact CG1-CD1 3.87Å; V193-L197 HydrophobicContact CG1-CG 4.31Å; V193-L197 WeakPolarHBondContact O-CB 3.45Å; V193-L197 VanDerWaalsContact O-CG 3.23Å; V193-L197 WeakPolarHBondContact O-CG 3.5Å; V193-L197 PolarHBondContact O-N 3.26Å |
| 194 | Q | 98.1 | Very high | 97.8 | Very high | 133 Ų | 133 | 93.7 Ų | 93.7 | 62% | 0.621 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.3 | -41.6 | 177.8 | -74.3 | 179.1 | 2.2 | 0 | 0 | 112.2 | Q190 A191 L197 S198 | Q190-Q194 WeakPolarHBondContact O-CB 3.3Å; Q190-Q194 WeakPolarHBondContact O-CG 3.48Å; Q190-Q194 PolarHBondContact O-N 3.31Å; A191-Q194 PolarHBondContact O-N 2.99Å; Q194-L197 PolarHBondContact O-N 2.95Å; Q194-S198 WeakPolarHBondContact O-CB 3.39Å; Q194-S198 PolarHBondContact O-N 3.41Å; Q194-S198 PolarHBondContact O-OG 3.02Å |
| 195 | E | 97.9 | Very high | 97.8 | Very high | 131 Ų | 131 | 95.3 Ų | 95.3 | 61% | 0.612 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.3 | -50 | 176.4 | -174.7 | 174.5 | -170.8 | 0 | 0 | 111.1 | A191 K192 V193 L197 S198 R199 | A191-E195 WeakPolarHBondContact O-CB 3.42Å; A191-E195 PolarHBondContact O-N 3.06Å; K192-E195 PolarHBondContact O-N 3.33Å; V193-E195 PolarHBondContact O-N 2.93Å; E195-L197 PolarHBondContact O-N 2.91Å; E195-S198 PolarHBondContact O-N 3.1Å; E195-S198 PolarHBondContact O-OG 2.85Å; E195-R199 WeakPolarHBondContact O-CB 3.47Å; E195-R199 PolarHBondContact O-N 3.47Å |
| 196 | E | 97.9 | Very high | 97.8 | Very high | 87 Ų | 87 | 95 Ų | 95 | 41% | 0.407 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.5 | -41 | 178.7 | -73.4 | -62.1 | 160.5 | 0 | 0 | 112.6 | K192 V193 S198 R199 I200 | K192-E196 WeakPolarHBondContact O-CG 3.02Å; K192-E196 PolarHBondContact O-N 3.42Å; V193-E196 PolarHBondContact O-N 3.19Å; E196-S198 VanDerWaalsContact C-N 3.34Å; E196-S198 PolarHBondContact O-N 3.39Å; E196-R199 PolarHBondContact O-N 2.99Å; E196-R199 IonicContact OE1-NE 2.78Å; E196-R199 IonicContact OE2-CZ 3.91Å; E196-R199 VanDerWaalsContact OE2-CZ 3.27Å; E196-R199 IonicContact OE2-NE 2.71Å; E196-R199 PolarHBondContact OE2-NE 3.27Å; E196-R199 IonicContact OE2-NH2 3.74Å; E196-R199 PolarHBondContact OE2-NH2 3.5Å; E196-I200 WeakPolarHBondContact O-CB 3.34Å; E196-I200 VanDerWaalsContact O-CG1 3.28Å; E196-I200 WeakPolarHBondContact O-CG1 3.49Å; E196-I200 PolarHBondContact O-N 2.92Å |
| 197 | L | 98.3 | Very high | 97.8 | Very high | 97 Ų | 97 | 94.8 Ų | 94.8 | 51% | 0.508 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.2 | -42.9 | 174.6 | -72.1 | 175 | 0 | 0 | 0 | 111.4 | V193 Q194 E195 R199 I200 L201 | V193-L197 HydrophobicContact CG1-CD1 3.87Å; V193-L197 HydrophobicContact CG1-CG 4.31Å; V193-L197 WeakPolarHBondContact O-CB 3.45Å; V193-L197 VanDerWaalsContact O-CG 3.23Å; V193-L197 WeakPolarHBondContact O-CG 3.5Å; V193-L197 PolarHBondContact O-N 3.26Å; Q194-L197 PolarHBondContact O-N 2.95Å; E195-L197 PolarHBondContact O-N 2.91Å; L197-R199 VanDerWaalsContact C-N 3.32Å; L197-R199 PolarHBondContact O-N 3.49Å; L197-I200 PolarHBondContact O-N 3.46Å; L197-L201 VanDerWaalsContact O-CB 3.32Å; L197-L201 WeakPolarHBondContact O-CB 3.32Å; L197-L201 VanDerWaalsContact O-CG 3.22Å; L197-L201 WeakPolarHBondContact O-CG 3.38Å; L197-L201 PolarHBondContact O-N 2.71Å |
| 198 | S | 98 | Very high | 97.7 | Very high | 69 Ų | 69 | 96 Ų | 96 | 48% | 0.483 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.4 | -40.5 | 177 | 77.8 | 0 | 0 | 0 | 0 | 111.8 | Q194 E195 E196 S202 | Q194-S198 WeakPolarHBondContact O-CB 3.39Å; Q194-S198 PolarHBondContact O-N 3.41Å; Q194-S198 PolarHBondContact O-OG 3.02Å; E195-S198 PolarHBondContact O-N 3.1Å; E195-S198 PolarHBondContact O-OG 2.85Å; E196-S198 VanDerWaalsContact C-N 3.34Å; E196-S198 PolarHBondContact O-N 3.39Å; S198-S202 WeakPolarHBondContact O-CB 3.39Å; S198-S202 PolarHBondContact O-N 2.9Å; S198-S202 PolarHBondContact O-OG 3.06Å |
| 199 | R | 98.3 | Very high | 97.7 | Very high | 139 Ų | 139 | 96.9 Ų | 96.9 | 53% | 0.525 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63 | -51.4 | 177.1 | -168 | -180 | 71.1 | 94.4 | 0 | 110.9 | E195 E196 L197 L201 S202 V203 | E195-R199 WeakPolarHBondContact O-CB 3.47Å; E195-R199 PolarHBondContact O-N 3.47Å; E196-R199 PolarHBondContact O-N 2.99Å; E196-R199 IonicContact OE1-NE 2.78Å; E196-R199 IonicContact OE2-CZ 3.91Å; E196-R199 VanDerWaalsContact OE2-CZ 3.27Å; E196-R199 IonicContact OE2-NE 2.71Å; E196-R199 PolarHBondContact OE2-NE 3.27Å; E196-R199 IonicContact OE2-NH2 3.74Å; E196-R199 PolarHBondContact OE2-NH2 3.5Å; L197-R199 VanDerWaalsContact C-N 3.32Å; L197-R199 PolarHBondContact O-N 3.49Å; R199-L201 PolarHBondContact O-N 3.47Å; R199-S202 PolarHBondContact O-N 3.27Å; R199-S202 PolarHBondContact O-OG 2.84Å; R199-V203 WeakPolarHBondContact O-CG2 3.39Å; R199-V203 PolarHBondContact O-N 2.9Å; R199-V203 VanDerWaalsContact O-N 3.11Å |
| 200 | I | 97.8 | Very high | 97.6 | Very high | 92 Ų | 92 | 98.4 Ų | 98.4 | 47% | 0.472 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.1 | -49.4 | 178.8 | -67.3 | 166.1 | 0 | 0 | 0 | 110.7 | E196 L197 S202 V203 E204 | E196-I200 WeakPolarHBondContact O-CB 3.34Å; E196-I200 VanDerWaalsContact O-CG1 3.28Å; E196-I200 WeakPolarHBondContact O-CG1 3.49Å; E196-I200 PolarHBondContact O-N 2.92Å; L197-I200 PolarHBondContact O-N 3.46Å; I200-S202 VanDerWaalsContact C-N 3.3Å; I200-S202 PolarHBondContact O-N 3.22Å; I200-V203 PolarHBondContact O-N 3.37Å; I200-E204 WeakPolarHBondContact O-CB 3.41Å; I200-E204 PolarHBondContact O-N 3.2Å |
| 201 | L | 98.1 | Very high | 97.6 | Very high | 78 Ų | 78 | 96 Ų | 96 | 41% | 0.408 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63 | -36.1 | -179.3 | -72.3 | 172.7 | 0 | 0 | 0 | 112.6 | L197 R199 R205 | L197-L201 VanDerWaalsContact O-CB 3.32Å; L197-L201 WeakPolarHBondContact O-CB 3.32Å; L197-L201 VanDerWaalsContact O-CG 3.22Å; L197-L201 WeakPolarHBondContact O-CG 3.38Å; L197-L201 PolarHBondContact O-N 2.71Å; R199-L201 PolarHBondContact O-N 3.47Å; L201-R205 WeakPolarHBondContact O-CB 3.47Å; L201-R205 WeakPolarHBondContact O-CG 3.36Å; L201-R205 PolarHBondContact O-N 2.83Å |
| 202 | S | 97.8 | Very high | 97.6 | Very high | 60 Ų | 60 | 98.4 Ų | 98.4 | 42% | 0.42 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.9 | -43.3 | 176.3 | 69.6 | 0 | 0 | 0 | 0 | 112.2 | S198 R199 I200 R205 A206 | S198-S202 WeakPolarHBondContact O-CB 3.39Å; S198-S202 PolarHBondContact O-N 2.9Å; S198-S202 PolarHBondContact O-OG 3.06Å; R199-S202 PolarHBondContact O-N 3.27Å; R199-S202 PolarHBondContact O-OG 2.84Å; I200-S202 VanDerWaalsContact C-N 3.3Å; I200-S202 PolarHBondContact O-N 3.22Å; S202-R205 PolarHBondContact O-N 3.04Å; S202-A206 WeakPolarHBondContact O-CB 3.19Å; S202-A206 PolarHBondContact O-N 3.27Å |
| 203 | V | 97.2 | Very high | 97.6 | Very high | 76 Ų | 76 | 96.1 Ų | 96.1 | 46% | 0.461 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64 | -46.1 | 176.8 | 172.4 | 0 | 0 | 0 | 0 | 110.5 | R199 I200 R205 A206 L207 | R199-V203 WeakPolarHBondContact O-CG2 3.39Å; R199-V203 PolarHBondContact O-N 2.9Å; R199-V203 VanDerWaalsContact O-N 3.11Å; I200-V203 PolarHBondContact O-N 3.37Å; V203-R205 PolarHBondContact O-N 3.47Å; V203-A206 PolarHBondContact O-N 3.34Å; V203-L207 HydrophobicContact CG1-CD1 3.98Å; V203-L207 HydrophobicContact CG1-CG 4.43Å; V203-L207 WeakPolarHBondContact O-CG 3.4Å; V203-L207 PolarHBondContact O-N 2.99Å |
| 204 | E | 96.6 | Very high | 97.6 | Very high | 111 Ų | 111 | 97 Ų | 97 | 52% | 0.519 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.6 | -41.9 | 178.8 | -171.6 | 174.2 | -174.9 | 0 | 0 | 112 | I200 L207 T208 | I200-E204 WeakPolarHBondContact O-CB 3.41Å; I200-E204 PolarHBondContact O-N 3.2Å; E204-L207 PolarHBondContact O-N 3.37Å; E204-T208 WeakPolarHBondContact O-CB 2.8Å; E204-T208 VanDerWaalsContact O-CG2 3.28Å; E204-T208 WeakPolarHBondContact O-CG2 3.35Å; E204-T208 PolarHBondContact O-N 3.4Å; E204-T208 PolarHBondContact O-OG1 3.04Å |
| 205 | R | 97.4 | Very high | 97.6 | Very high | 161 Ų | 161 | 92.7 Ų | 92.7 | 61% | 0.608 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62.7 | -41.9 | 173.8 | -78.6 | -174.6 | -128.9 | 136.8 | 0.3 | 112.6 | L201 S202 V203 T208 H209 | L201-R205 WeakPolarHBondContact O-CB 3.47Å; L201-R205 WeakPolarHBondContact O-CG 3.36Å; L201-R205 PolarHBondContact O-N 2.83Å; S202-R205 PolarHBondContact O-N 3.04Å; V203-R205 PolarHBondContact O-N 3.47Å; R205-T208 WeakPolarHBondContact CA-OG1 3.49Å; R205-T208 PolarHBondContact O-OG1 3.19Å; R205-H209 WeakPolarHBondContact O-CB 3.45Å; R205-H209 PolarHBondContact O-N 2.86Å |
| 206 | A | 97.1 | Very high | 97.6 | Very high | 52 Ų | 52 | 91.3 Ų | 91.3 | 43% | 0.43 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.5 | -46.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | S202 V203 T208 H209 D210 | S202-A206 WeakPolarHBondContact O-CB 3.19Å; S202-A206 PolarHBondContact O-N 3.27Å; V203-A206 PolarHBondContact O-N 3.34Å; A206-T208 PolarHBondContact O-N 3.02Å; A206-H209 PolarHBondContact O-N 2.87Å; A206-D210 PolarHBondContact O-N 3.34Å |
| 207 | L | 97.1 | Very high | 97.6 | Very high | 116 Ų | 116 | 92 Ų | 92 | 61% | 0.607 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -63.6 | -44 | 178.8 | -68.9 | 174.2 | 0 | 0 | 0 | 112.6 | V203 E204 H209 S211 | V203-L207 HydrophobicContact CG1-CD1 3.98Å; V203-L207 HydrophobicContact CG1-CG 4.43Å; V203-L207 WeakPolarHBondContact O-CG 3.4Å; V203-L207 PolarHBondContact O-N 2.99Å; E204-L207 PolarHBondContact O-N 3.37Å; L207-H209 VanDerWaalsContact C-N 3.34Å; L207-S211 WeakPolarHBondContact O-CB 3.25Å; L207-S211 PolarHBondContact O-N 3.5Å |
| 208 | T | 97.1 | Very high | 97.6 | Very high | 78 Ų | 78 | 94.2 Ų | 94.2 | 48% | 0.479 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.8 | -37.9 | 177.4 | 51.5 | 0 | 0 | 0 | 0 | 111.6 | E204 R205 A206 L212 | E204-T208 WeakPolarHBondContact O-CB 2.8Å; E204-T208 VanDerWaalsContact O-CG2 3.28Å; E204-T208 WeakPolarHBondContact O-CG2 3.35Å; E204-T208 PolarHBondContact O-N 3.4Å; E204-T208 PolarHBondContact O-OG1 3.04Å; R205-T208 WeakPolarHBondContact CA-OG1 3.49Å; R205-T208 PolarHBondContact O-OG1 3.19Å; A206-T208 PolarHBondContact O-N 3.02Å; T208-L212 WeakPolarHBondContact O-CB 3.43Å; T208-L212 PolarHBondContact O-N 3.36Å |
| 209 | H | 97.3 | Very high | 97.6 | Very high | 101 Ų | 101 | 97.2 Ų | 97.2 | 47% | 0.468 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.4 | -51.4 | 175.4 | -171.2 | 76.9 | 0 | 0 | 0 | 111.7 | R205 A206 L207 S211 L212 Q213 | R205-H209 WeakPolarHBondContact O-CB 3.45Å; R205-H209 PolarHBondContact O-N 2.86Å; A206-H209 PolarHBondContact O-N 2.87Å; L207-H209 VanDerWaalsContact C-N 3.34Å; H209-S211 PolarHBondContact O-N 3.31Å; H209-L212 PolarHBondContact O-N 3.47Å; H209-Q213 PolarHBondContact NE2-NE2 3.2Å; H209-Q213 WeakPolarHBondContact O-CB 3.36Å; H209-Q213 WeakPolarHBondContact O-CG 3.43Å; H209-Q213 PolarHBondContact O-N 2.93Å |
| 210 | D | 96.4 | Very high | 97.6 | Very high | 83 Ų | 83 | 98.8 Ų | 98.8 | 44% | 0.444 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.5 | -42.7 | 179.9 | -73.1 | -7.7 | 0 | 0 | 0 | 111.6 | A206 L212 Q213 Q214 | A206-D210 PolarHBondContact O-N 3.34Å; D210-L212 PolarHBondContact O-N 2.86Å; D210-Q213 PolarHBondContact O-N 3.11Å; D210-Q214 WeakPolarHBondContact O-CB 3.43Å; D210-Q214 VanDerWaalsContact O-CG 3.31Å; D210-Q214 WeakPolarHBondContact O-CG 3.12Å; D210-Q214 PolarHBondContact O-N 3.22Å |
| 211 | S | 97.3 | Very high | 97.7 | Very high | 71 Ų | 71 | 99.4 Ų | 99.4 | 50% | 0.497 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60 | -46 | 175.8 | -179.5 | 0 | 0 | 0 | 0 | 111.7 | L207 H209 Q214 A215 | L207-S211 WeakPolarHBondContact O-CB 3.25Å; L207-S211 PolarHBondContact O-N 3.5Å; H209-S211 PolarHBondContact O-N 3.31Å; S211-Q214 PolarHBondContact O-N 2.97Å; S211-A215 WeakPolarHBondContact O-CB 3.5Å; S211-A215 PolarHBondContact O-N 3.5Å |
| 212 | L | 97.8 | Very high | 97.7 | Very high | 103 Ų | 103 | 98 Ų | 98 | 54% | 0.539 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.1 | -45.8 | 177.2 | 177.2 | 62 | 0 | 0 | 0 | 111.6 | T208 H209 D210 Q214 A215 I216 | T208-L212 WeakPolarHBondContact O-CB 3.43Å; T208-L212 PolarHBondContact O-N 3.36Å; H209-L212 PolarHBondContact O-N 3.47Å; D210-L212 PolarHBondContact O-N 2.86Å; L212-Q214 VanDerWaalsContact C-N 3.31Å; L212-Q214 PolarHBondContact O-N 3.46Å; L212-A215 WeakPolarHBondContact O-CB 3.3Å; L212-A215 PolarHBondContact O-N 2.97Å; L212-A215 VanDerWaalsContact O-N 3.16Å; L212-I216 HydrophobicContact CD1-CD1 4.09Å; L212-I216 HydrophobicContact CD1-CG1 4.27Å; L212-I216 HydrophobicContact CG-CD1 3.93Å; L212-I216 WeakPolarHBondContact O-CG1 3.32Å; L212-I216 PolarHBondContact O-N 3.29Å |
| 213 | Q | 97.9 | Very high | 97.7 | Very high | 94 Ų | 94 | 98.3 Ų | 98.3 | 44% | 0.439 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.4 | -45.1 | 177.1 | -76.8 | -162.7 | -10.4 | 0 | 0 | 111.4 | H209 D210 A215 I216 I217 | H209-Q213 PolarHBondContact NE2-NE2 3.2Å; H209-Q213 WeakPolarHBondContact O-CB 3.36Å; H209-Q213 WeakPolarHBondContact O-CG 3.43Å; H209-Q213 PolarHBondContact O-N 2.93Å; D210-Q213 PolarHBondContact O-N 3.11Å; Q213-A215 VanDerWaalsContact C-N 3.35Å; Q213-A215 PolarHBondContact O-N 3.18Å; Q213-I216 PolarHBondContact O-N 3.32Å; Q213-I217 WeakPolarHBondContact O-CG1 3.42Å; Q213-I217 PolarHBondContact O-N 3.47Å |
| 214 | Q | 97.9 | Very high | 97.8 | Very high | 105 Ų | 105 | 99.7 Ų | 99.7 | 49% | 0.491 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.6 | -39.6 | 176 | -72.5 | 179.9 | 21.8 | 0 | 0 | 112.4 | D210 S211 L212 I217 R218 | D210-Q214 WeakPolarHBondContact O-CB 3.43Å; D210-Q214 VanDerWaalsContact O-CG 3.31Å; D210-Q214 WeakPolarHBondContact O-CG 3.12Å; D210-Q214 PolarHBondContact O-N 3.22Å; S211-Q214 PolarHBondContact O-N 2.97Å; L212-Q214 VanDerWaalsContact C-N 3.31Å; L212-Q214 PolarHBondContact O-N 3.46Å; Q214-I217 PolarHBondContact O-N 2.87Å; Q214-R218 WeakPolarHBondContact O-CB 3.32Å; Q214-R218 WeakPolarHBondContact O-CG 3.25Å; Q214-R218 PolarHBondContact O-N 3.41Å |
| 215 | A | 98.3 | Very high | 97.9 | Very high | 42 Ų | 42 | 97.4 Ų | 97.4 | 35% | 0.347 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.1 | -44 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | S211 L212 Q213 I217 R218 E219 | S211-A215 WeakPolarHBondContact O-CB 3.5Å; S211-A215 PolarHBondContact O-N 3.5Å; L212-A215 WeakPolarHBondContact O-CB 3.3Å; L212-A215 PolarHBondContact O-N 2.97Å; L212-A215 VanDerWaalsContact O-N 3.16Å; Q213-A215 VanDerWaalsContact C-N 3.35Å; Q213-A215 PolarHBondContact O-N 3.18Å; A215-I217 PolarHBondContact O-N 2.78Å; A215-R218 PolarHBondContact O-N 3.08Å; A215-E219 WeakPolarHBondContact O-CB 3.36Å; A215-E219 PolarHBondContact O-N 3.44Å |
| 216 | I | 98.4 | Very high | 97.9 | Very high | 103 Ų | 103 | 95.3 Ų | 95.3 | 53% | 0.528 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.3 | -44.5 | 176.9 | -68.5 | 166.2 | 0 | 0 | 0 | 111.2 | L212 Q213 E219 R220 | L212-I216 HydrophobicContact CD1-CD1 4.09Å; L212-I216 HydrophobicContact CD1-CG1 4.27Å; L212-I216 HydrophobicContact CG-CD1 3.93Å; L212-I216 WeakPolarHBondContact O-CG1 3.32Å; L212-I216 PolarHBondContact O-N 3.29Å; Q213-I216 PolarHBondContact O-N 3.32Å; I216-E219 PolarHBondContact O-N 2.94Å; I216-R220 PolarHBondContact O-N 3.47Å |
| 217 | I | 98.3 | Very high | 98 | Very high | 101 Ų | 101 | 100.2 Ų | 100.2 | 52% | 0.518 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.3 | -46.3 | 178.8 | -68.2 | 165.7 | 0 | 0 | 0 | 110.5 | Q213 Q214 A215 E219 R220 I221 | Q213-I217 WeakPolarHBondContact O-CG1 3.42Å; Q213-I217 PolarHBondContact O-N 3.47Å; Q214-I217 PolarHBondContact O-N 2.87Å; A215-I217 PolarHBondContact O-N 2.78Å; I217-E219 VanDerWaalsContact C-N 3.34Å; I217-E219 PolarHBondContact O-N 3.36Å; I217-R220 PolarHBondContact O-N 3.04Å; I217-I221 HydrophobicContact CG2-CD1 3.85Å; I217-I221 WeakPolarHBondContact O-CG1 3.38Å; I217-I221 PolarHBondContact O-N 3.22Å |
| 218 | R | 98.2 | Very high | 98 | Very high | 143 Ų | 143 | 99.9 Ų | 99.9 | 54% | 0.54 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.8 | -45.1 | 177.4 | -75.4 | -172.1 | -67.4 | -105.6 | -0.5 | 111.8 | Q214 A215 I221 S222 | Q214-R218 WeakPolarHBondContact O-CB 3.32Å; Q214-R218 WeakPolarHBondContact O-CG 3.25Å; Q214-R218 PolarHBondContact O-N 3.41Å; A215-R218 PolarHBondContact O-N 3.08Å; R218-I221 PolarHBondContact O-N 3.44Å; R218-S222 WeakPolarHBondContact O-CB 3.4Å; R218-S222 PolarHBondContact O-N 2.87Å |
| 219 | E | 98.4 | Very high | 98.1 | Very high | 133 Ų | 133 | 103 Ų | 103 | 62% | 0.621 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.8 | -44.1 | 179.2 | -171.5 | 61.8 | -158.1 | 0 | 0 | 111.6 | A215 I216 I217 I221 S222 S223 | A215-E219 WeakPolarHBondContact O-CB 3.36Å; A215-E219 PolarHBondContact O-N 3.44Å; I216-E219 PolarHBondContact O-N 2.94Å; I217-E219 VanDerWaalsContact C-N 3.34Å; I217-E219 PolarHBondContact O-N 3.36Å; E219-I221 PolarHBondContact O-N 2.95Å; E219-S222 PolarHBondContact O-N 3.42Å; E219-S223 VanDerWaalsContact O-CB 3.3Å; E219-S223 WeakPolarHBondContact O-CB 3.49Å; E219-S223 PolarHBondContact O-N 3.24Å |
| 220 | R | 98.5 | Very high | 98.2 | Very high | 172 Ų | 172 | 100.9 Ų | 100.9 | 65% | 0.649 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -59.2 | -47.4 | 176.6 | 177 | -178.1 | -92.1 | -154.3 | -5.1 | 111.4 | I216 I217 S223 E224 | I216-R220 PolarHBondContact O-N 3.47Å; I217-R220 PolarHBondContact O-N 3.04Å; R220-S223 PolarHBondContact O-N 3.45Å; R220-E224 HydrophobicContact CG-CG 4.46Å; R220-E224 WeakPolarHBondContact O-CB 3.41Å; R220-E224 WeakPolarHBondContact O-CG 3.49Å; R220-E224 PolarHBondContact O-N 3.09Å |
| 221 | I | 98.3 | Very high | 98.3 | Very high | 105 Ų | 105 | 102 Ų | 102 | 54% | 0.538 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.6 | -45.4 | -179.8 | -66.4 | 166.8 | 0 | 0 | 0 | 110.3 | I217 R218 E219 S223 E224 D225 | I217-I221 HydrophobicContact CG2-CD1 3.85Å; I217-I221 WeakPolarHBondContact O-CG1 3.38Å; I217-I221 PolarHBondContact O-N 3.22Å; R218-I221 PolarHBondContact O-N 3.44Å; E219-I221 PolarHBondContact O-N 2.95Å; I221-S223 PolarHBondContact O-N 2.85Å; I221-E224 PolarHBondContact O-N 2.95Å; I221-D225 WeakPolarHBondContact O-CB 3.32Å; I221-D225 PolarHBondContact O-N 3.09Å |
| 222 | S | 98.4 | Very high | 98.3 | Very high | 49 Ų | 49 | 103.5 Ų | 103.5 | 34% | 0.343 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.6 | -46.6 | 177.1 | -166.5 | 0 | 0 | 0 | 0 | 111.5 | R218 E219 E224 D225 E226 | R218-S222 WeakPolarHBondContact O-CB 3.4Å; R218-S222 PolarHBondContact O-N 2.87Å; E219-S222 PolarHBondContact O-N 3.42Å; S222-E224 PolarHBondContact O-N 2.97Å; S222-D225 PolarHBondContact O-N 3.41Å; S222-E226 WeakPolarHBondContact O-CB 3.35Å; S222-E226 WeakPolarHBondContact O-CG 3.39Å; S222-E226 PolarHBondContact O-N 2.93Å |
| 223 | S | 98.6 | Very high | 98.4 | Very high | 65 Ų | 65 | 103.4 Ų | 103.4 | 46% | 0.455 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.9 | -41.7 | 179.4 | -175.8 | 0 | 0 | 0 | 0 | 112.5 | E219 R220 I221 K227 | E219-S223 VanDerWaalsContact O-CB 3.3Å; E219-S223 WeakPolarHBondContact O-CB 3.49Å; E219-S223 PolarHBondContact O-N 3.24Å; R220-S223 PolarHBondContact O-N 3.45Å; I221-S223 PolarHBondContact O-N 2.85Å; S223-K227 VanDerWaalsContact O-CB 3.28Å; S223-K227 WeakPolarHBondContact O-CB 3.38Å; S223-K227 PolarHBondContact O-N 3.19Å |
| 224 | E | 98.4 | Very high | 98.4 | Very high | 105 Ų | 105 | 101.5 Ų | 101.5 | 49% | 0.491 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.9 | -42.3 | 176.8 | -75 | 178.3 | 178.4 | 0 | 0 | 111.9 | R220 I221 S222 K227 L228 | R220-E224 HydrophobicContact CG-CG 4.46Å; R220-E224 WeakPolarHBondContact O-CB 3.41Å; R220-E224 WeakPolarHBondContact O-CG 3.49Å; R220-E224 PolarHBondContact O-N 3.09Å; I221-E224 PolarHBondContact O-N 2.95Å; S222-E224 PolarHBondContact O-N 2.97Å; E224-K227 PolarHBondContact O-N 2.98Å; E224-L228 VanDerWaalsContact O-CG 3.32Å; E224-L228 WeakPolarHBondContact O-CG 3.46Å; E224-L228 PolarHBondContact O-N 3.07Å |
| 225 | D | 98.3 | Very high | 98.4 | Very high | 63 Ų | 63 | 102.9 Ų | 102.9 | 34% | 0.337 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.1 | -45.5 | 176.5 | -179.2 | 41.7 | 0 | 0 | 0 | 111.8 | I221 S222 K227 L228 R229 | I221-D225 WeakPolarHBondContact O-CB 3.32Å; I221-D225 PolarHBondContact O-N 3.09Å; S222-D225 PolarHBondContact O-N 3.41Å; D225-K227 VanDerWaalsContact C-N 3.33Å; D225-K227 PolarHBondContact O-N 3.31Å; D225-L228 PolarHBondContact O-N 3.45Å; D225-R229 VanDerWaalsContact CG-NH2 3.33Å; D225-R229 WeakPolarHBondContact O-CG 3.34Å; D225-R229 PolarHBondContact O-N 3.33Å; D225-R229 IonicContact OD1-CZ 2.92Å; D225-R229 IonicContact OD1-NE 3.92Å; D225-R229 IonicContact OD1-NH1 2.75Å; D225-R229 IonicContact OD1-NH2 2.64Å; D225-R229 PolarHBondContact OD1-NH2 2.88Å; D225-R229 IonicContact OD2-CZ 2.88Å; D225-R229 IonicContact OD2-NE 2.88Å; D225-R229 IonicContact OD2-NH1 3.28Å; D225-R229 PolarHBondContact OD2-NH1 3.08Å; D225-R229 IonicContact OD2-NH2 3.5Å; D225-R229 PolarHBondContact OD2-NH2 3.48Å |
| 226 | E | 98.3 | Very high | 98.5 | Very high | 117 Ų | 117 | 106 Ų | 106 | 55% | 0.547 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59 | -43.2 | 172.7 | -75.7 | 178.3 | -174.2 | 0 | 0 | 112.2 | S222 L228 R229 A230 | S222-E226 WeakPolarHBondContact O-CB 3.35Å; S222-E226 WeakPolarHBondContact O-CG 3.39Å; S222-E226 PolarHBondContact O-N 2.93Å; E226-L228 PolarHBondContact O-N 3.43Å; E226-R229 PolarHBondContact O-N 3.02Å; E226-A230 WeakPolarHBondContact O-CB 3.28Å; E226-A230 PolarHBondContact O-N 2.88Å |
| 227 | K | 98.5 | Very high | 98.5 | Very high | 156 Ų | 156 | 106.2 Ų | 106.2 | 68% | 0.678 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.9 | -41.3 | 177.1 | -176.7 | -180 | 178.2 | -178.6 | 0 | 111.9 | S223 E224 D225 A230 Q231 | S223-K227 VanDerWaalsContact O-CB 3.28Å; S223-K227 WeakPolarHBondContact O-CB 3.38Å; S223-K227 PolarHBondContact O-N 3.19Å; E224-K227 PolarHBondContact O-N 2.98Å; D225-K227 VanDerWaalsContact C-N 3.33Å; D225-K227 PolarHBondContact O-N 3.31Å; K227-A230 PolarHBondContact O-N 2.81Å; K227-Q231 WeakPolarHBondContact O-CB 3.48Å; K227-Q231 PolarHBondContact O-N 3.29Å |
| 228 | L | 98.4 | Very high | 98.5 | Very high | 108 Ų | 108 | 103.9 Ų | 103.9 | 57% | 0.565 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.3 | -44 | 176.4 | -73.3 | 169.9 | 0 | 0 | 0 | 111.3 | E224 D225 E226 Q231 L232 | E224-L228 VanDerWaalsContact O-CG 3.32Å; E224-L228 WeakPolarHBondContact O-CG 3.46Å; E224-L228 PolarHBondContact O-N 3.07Å; D225-L228 PolarHBondContact O-N 3.45Å; E226-L228 PolarHBondContact O-N 3.43Å; L228-Q231 PolarHBondContact O-N 3.38Å; L228-L232 PolarHBondContact O-N 3.42Å |
| 229 | R | 98.5 | Very high | 98.5 | Very high | 143 Ų | 143 | 99.7 Ų | 99.7 | 54% | 0.54 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.8 | -47.4 | 174.1 | -72.6 | -175.1 | -174.7 | 117.3 | 13 | 111.8 | D225 E226 Q231 L232 L233 | D225-R229 VanDerWaalsContact CG-NH2 3.33Å; D225-R229 WeakPolarHBondContact O-CG 3.34Å; D225-R229 PolarHBondContact O-N 3.33Å; D225-R229 IonicContact OD1-CZ 2.92Å; D225-R229 IonicContact OD1-NE 3.92Å; D225-R229 IonicContact OD1-NH1 2.75Å; D225-R229 IonicContact OD1-NH2 2.64Å; D225-R229 PolarHBondContact OD1-NH2 2.88Å; D225-R229 IonicContact OD2-CZ 2.88Å; D225-R229 IonicContact OD2-NE 2.88Å; D225-R229 IonicContact OD2-NH1 3.28Å; D225-R229 PolarHBondContact OD2-NH1 3.08Å; D225-R229 IonicContact OD2-NH2 3.5Å; D225-R229 PolarHBondContact OD2-NH2 3.48Å; E226-R229 PolarHBondContact O-N 3.02Å; R229-Q231 VanDerWaalsContact C-N 3.32Å; R229-Q231 PolarHBondContact O-N 3.27Å; R229-L232 PolarHBondContact O-N 3.32Å; R229-L233 WeakPolarHBondContact O-CG 3.41Å; R229-L233 PolarHBondContact O-N 3.08Å |
| 230 | A | 98.6 | Very high | 98.5 | Very high | 57 Ų | 57 | 100.2 Ų | 100.2 | 47% | 0.471 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.4 | -42.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | E226 K227 L232 L233 A234 | E226-A230 WeakPolarHBondContact O-CB 3.28Å; E226-A230 PolarHBondContact O-N 2.88Å; K227-A230 PolarHBondContact O-N 2.81Å; A230-L232 PolarHBondContact O-N 3.39Å; A230-L233 PolarHBondContact O-N 2.92Å; A230-A234 WeakPolarHBondContact O-CB 3.37Å; A230-A234 PolarHBondContact O-N 3.45Å |
| 231 | Q | 98.6 | Very high | 98.5 | Very high | 106 Ų | 106 | 98.3 Ų | 98.3 | 50% | 0.495 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.8 | -38.7 | 177.4 | -169.9 | -178.4 | 59.5 | 0 | 0 | 112.3 | K227 L228 R229 A234 K235 | K227-Q231 WeakPolarHBondContact O-CB 3.48Å; K227-Q231 PolarHBondContact O-N 3.29Å; L228-Q231 PolarHBondContact O-N 3.38Å; R229-Q231 VanDerWaalsContact C-N 3.32Å; R229-Q231 PolarHBondContact O-N 3.27Å; Q231-A234 PolarHBondContact O-N 3.04Å; Q231-K235 WeakPolarHBondContact O-CG 3.35Å; Q231-K235 PolarHBondContact O-N 2.86Å |
| 232 | L | 98.6 | Very high | 98.6 | Very high | 103 Ų | 103 | 95.4 Ų | 95.4 | 54% | 0.539 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.7 | -47.2 | 176.2 | -177.6 | 65.9 | 0 | 0 | 0 | 111.1 | L228 R229 A230 A234 K235 Q236 | L228-L232 PolarHBondContact O-N 3.42Å; R229-L232 PolarHBondContact O-N 3.32Å; A230-L232 PolarHBondContact O-N 3.39Å; L232-A234 PolarHBondContact O-N 3.5Å; L232-K235 PolarHBondContact O-N 3.16Å; L232-Q236 WeakPolarHBondContact O-CG 3.43Å; L232-Q236 PolarHBondContact O-N 2.94Å |
| 233 | L | 98.7 | Very high | 98.6 | Very high | 101 Ų | 101 | 96.8 Ų | 96.8 | 53% | 0.529 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.6 | -42.3 | 177 | -69.7 | 173.7 | 0 | 0 | 0 | 111.6 | R229 A230 K235 Q236 L237 | R229-L233 WeakPolarHBondContact O-CG 3.41Å; R229-L233 PolarHBondContact O-N 3.08Å; A230-L233 PolarHBondContact O-N 2.92Å; L233-K235 VanDerWaalsContact C-N 3.32Å; L233-K235 PolarHBondContact O-N 3.04Å; L233-Q236 PolarHBondContact O-N 3.47Å; L233-Q236 VanDerWaalsContact O-N 3.16Å; L233-L237 WeakPolarHBondContact O-CG 3.39Å; L233-L237 PolarHBondContact O-N 2.9Å |
| 234 | A | 98.8 | Very high | 98.6 | Very high | 55 Ų | 55 | 99 Ų | 99 | 46% | 0.455 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.4 | -41.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A230 Q231 L232 L237 A238 | A230-A234 WeakPolarHBondContact O-CB 3.37Å; A230-A234 PolarHBondContact O-N 3.45Å; Q231-A234 PolarHBondContact O-N 3.04Å; L232-A234 PolarHBondContact O-N 3.5Å; A234-L237 PolarHBondContact O-N 3.03Å; A234-A238 WeakPolarHBondContact O-CB 3.46Å; A234-A238 PolarHBondContact O-N 3.47Å |
| 235 | K | 98.6 | Very high | 98.6 | Very high | 134 Ų | 134 | 101.5 Ų | 101.5 | 58% | 0.583 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.6 | -42.7 | 174.5 | -75 | 175.7 | 178.8 | 173.8 | 0 | 112.2 | Q231 L232 L233 A238 A239 | Q231-K235 WeakPolarHBondContact O-CG 3.35Å; Q231-K235 PolarHBondContact O-N 2.86Å; L232-K235 PolarHBondContact O-N 3.16Å; L233-K235 VanDerWaalsContact C-N 3.32Å; L233-K235 PolarHBondContact O-N 3.04Å; K235-A238 PolarHBondContact O-N 3.42Å; K235-A239 PolarHBondContact O-N 3.3Å; K235-A239 VanDerWaalsContact O-N 3.08Å |
| 236 | Q | 98.6 | Very high | 98.6 | Very high | 108 Ų | 108 | 104.9 Ų | 104.9 | 51% | 0.505 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.5 | -43.6 | 176.9 | -70 | -178.9 | 21.2 | 0 | 0 | 111.5 | L232 L233 A239 K240 | L232-Q236 WeakPolarHBondContact O-CG 3.43Å; L232-Q236 PolarHBondContact O-N 2.94Å; L233-Q236 PolarHBondContact O-N 3.47Å; L233-Q236 VanDerWaalsContact O-N 3.16Å; Q236-A239 PolarHBondContact O-N 2.89Å; Q236-K240 WeakPolarHBondContact O-CG 3.3Å; Q236-K240 PolarHBondContact O-N 2.85Å |
| 237 | L | 98.8 | Very high | 98.6 | Very high | 106 Ų | 106 | 104.7 Ų | 104.7 | 56% | 0.555 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.1 | -46.7 | 176.3 | -72.5 | 173.4 | 0 | 0 | 0 | 111.4 | L233 A234 A239 K240 E241 | L233-L237 WeakPolarHBondContact O-CG 3.39Å; L233-L237 PolarHBondContact O-N 2.9Å; A234-L237 PolarHBondContact O-N 3.03Å; L237-A239 VanDerWaalsContact C-N 3.27Å; L237-A239 PolarHBondContact O-N 3.32Å; L237-K240 PolarHBondContact O-N 3.42Å; L237-K240 VanDerWaalsContact O-N 3.07Å; L237-E241 WeakPolarHBondContact O-CB 3.38Å; L237-E241 WeakPolarHBondContact O-CG 3.48Å; L237-E241 PolarHBondContact O-N 2.94Å |
| 238 | A | 98.8 | Very high | 98.6 | Very high | 53 Ų | 53 | 100.9 Ų | 100.9 | 44% | 0.438 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -58.5 | -39 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A234 K235 A242 | A234-A238 WeakPolarHBondContact O-CB 3.46Å; A234-A238 PolarHBondContact O-N 3.47Å; K235-A238 PolarHBondContact O-N 3.42Å; A238-A242 WeakPolarHBondContact O-CB 3.47Å; A238-A242 PolarHBondContact O-N 2.93Å |
| 239 | A | 98.6 | Very high | 98.7 | Very high | 54 Ų | 54 | 98.3 Ų | 98.3 | 45% | 0.446 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.8 | -44.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | K235 Q236 L237 A242 D243 | K235-A239 PolarHBondContact O-N 3.3Å; K235-A239 VanDerWaalsContact O-N 3.08Å; Q236-A239 PolarHBondContact O-N 2.89Å; L237-A239 VanDerWaalsContact C-N 3.27Å; L237-A239 PolarHBondContact O-N 3.32Å; A239-A242 PolarHBondContact O-N 3.24Å; A239-D243 PolarHBondContact O-N 3.33Å; A239-D243 VanDerWaalsContact O-N 3.08Å |
| 240 | K | 98.7 | Very high | 98.7 | Very high | 144 Ų | 144 | 96.7 Ų | 96.7 | 63% | 0.626 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.3 | -41.1 | 177 | -68.1 | -71.3 | -177.6 | 174.1 | 0 | 112.3 | Q236 L237 A242 D243 L244 | Q236-K240 WeakPolarHBondContact O-CG 3.3Å; Q236-K240 PolarHBondContact O-N 2.85Å; L237-K240 PolarHBondContact O-N 3.42Å; L237-K240 VanDerWaalsContact O-N 3.07Å; K240-A242 VanDerWaalsContact C-N 3.35Å; K240-D243 PolarHBondContact O-N 3.33Å; K240-L244 PolarHBondContact O-N 2.64Å |
| 241 | E | 98.6 | Very high | 98.7 | Very high | 132 Ų | 132 | 101 Ų | 101 | 62% | 0.617 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.9 | -41.6 | 174.8 | -75.3 | 178.8 | 173.6 | 0 | 0 | 111.6 | L237 D243 L244 K245 | L237-E241 WeakPolarHBondContact O-CB 3.38Å; L237-E241 WeakPolarHBondContact O-CG 3.48Å; L237-E241 PolarHBondContact O-N 2.94Å; E241-D243 VanDerWaalsContact C-N 3.33Å; E241-D243 PolarHBondContact O-N 3.47Å; E241-L244 PolarHBondContact O-N 3.25Å; E241-K245 VanDerWaalsContact O-CB 3.25Å; E241-K245 WeakPolarHBondContact O-CB 3.48Å; E241-K245 PolarHBondContact O-N 3.47Å |
| 242 | A | 98.8 | Very high | 98.7 | Very high | 44 Ų | 44 | 103.9 Ų | 103.9 | 36% | 0.364 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.1 | -41 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | A238 A239 K240 K245 K246 | A238-A242 WeakPolarHBondContact O-CB 3.47Å; A238-A242 PolarHBondContact O-N 2.93Å; A239-A242 PolarHBondContact O-N 3.24Å; K240-A242 VanDerWaalsContact C-N 3.35Å; A242-K245 PolarHBondContact O-N 3.34Å; A242-K246 WeakPolarHBondContact O-CG 3.36Å; A242-K246 PolarHBondContact O-N 3.36Å; A242-K246 VanDerWaalsContact O-N 3.09Å |
| 243 | D | 98.5 | Very high | 98.7 | Very high | 79 Ų | 79 | 105.1 Ų | 105.1 | 42% | 0.422 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -70.6 | -42 | 177.8 | -72.1 | -20.1 | 0 | 0 | 0 | 112.5 | A239 K240 E241 K245 K246 Q247 | A239-D243 PolarHBondContact O-N 3.33Å; A239-D243 VanDerWaalsContact O-N 3.08Å; K240-D243 PolarHBondContact O-N 3.33Å; E241-D243 VanDerWaalsContact C-N 3.33Å; E241-D243 PolarHBondContact O-N 3.47Å; D243-K245 VanDerWaalsContact C-N 3.28Å; D243-K245 PolarHBondContact O-N 2.92Å; D243-K246 WeakPolarHBondContact O-CB 3.48Å; D243-K246 PolarHBondContact O-N 2.94Å; D243-K246 IonicContact OD1-NZ 2.78Å; D243-K246 PolarHBondContact OD1-NZ 2.96Å; D243-Q247 PolarHBondContact O-N 2.97Å; D243-Q247 VanDerWaalsContact O-N 3.09Å |
| 244 | L | 98.6 | Very high | 98.6 | Very high | 111 Ų | 111 | 104.1 Ų | 104.1 | 58% | 0.581 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59.4 | -40.8 | 172.2 | -81.1 | 171.7 | 0 | 0 | 0 | 111.6 | K240 E241 K246 Q247 D248 | K240-L244 PolarHBondContact O-N 2.64Å; E241-L244 PolarHBondContact O-N 3.25Å; L244-K246 VanDerWaalsContact C-N 3.34Å; L244-K246 PolarHBondContact O-N 3.36Å; L244-Q247 PolarHBondContact O-N 3.28Å; L244-D248 PolarHBondContact O-N 2.75Å |
| 245 | K | 98.8 | Very high | 98.6 | Very high | 158 Ų | 158 | 106.4 Ų | 106.4 | 69% | 0.687 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.5 | -38.3 | 177.3 | -172.8 | 174.6 | -177.6 | 175.7 | 0 | 112.4 | E241 A242 D243 A249 | E241-K245 VanDerWaalsContact O-CB 3.25Å; E241-K245 WeakPolarHBondContact O-CB 3.48Å; E241-K245 PolarHBondContact O-N 3.47Å; A242-K245 PolarHBondContact O-N 3.34Å; D243-K245 VanDerWaalsContact C-N 3.28Å; D243-K245 PolarHBondContact O-N 2.92Å; K245-A249 WeakPolarHBondContact O-CB 3.28Å; K245-A249 PolarHBondContact O-N 3.37Å |
| 246 | K | 98.8 | Very high | 98.6 | Very high | 134 Ų | 134 | 103 Ų | 103 | 58% | 0.583 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63 | -42.7 | 173.2 | -68.6 | 168.6 | -163.7 | 156.9 | 0 | 111.2 | A242 D243 L244 F250 | A242-K246 WeakPolarHBondContact O-CG 3.36Å; A242-K246 PolarHBondContact O-N 3.36Å; A242-K246 VanDerWaalsContact O-N 3.09Å; D243-K246 WeakPolarHBondContact O-CB 3.48Å; D243-K246 PolarHBondContact O-N 2.94Å; D243-K246 IonicContact OD1-NZ 2.78Å; D243-K246 PolarHBondContact OD1-NZ 2.96Å; L244-K246 VanDerWaalsContact C-N 3.34Å; L244-K246 PolarHBondContact O-N 3.36Å; K246-F250 WeakPolarHBondContact O-CB 3.36Å; K246-F250 PolarHBondContact O-N 3.46Å |
| 247 | Q | 98.6 | Very high | 98.6 | Very high | 112 Ų | 112 | 104.7 Ų | 104.7 | 52% | 0.523 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.9 | -46.1 | 178.1 | -69 | -178 | -7.1 | 0 | 0 | 112 | D243 L244 A249 F250 Y251 | D243-Q247 PolarHBondContact O-N 2.97Å; D243-Q247 VanDerWaalsContact O-N 3.09Å; L244-Q247 PolarHBondContact O-N 3.28Å; Q247-A249 PolarHBondContact O-N 2.85Å; Q247-F250 WeakPolarHBondContact O-CB 3.32Å; Q247-F250 PolarHBondContact O-N 3.33Å; Q247-Y251 HydrophobicContact CB-CE2 4.48Å; Q247-Y251 WeakPolarHBondContact O-CD2 3.47Å; Q247-Y251 PolarHBondContact O-N 3.47Å |
| 248 | D | 98.6 | Very high | 98.6 | Very high | 76 Ų | 76 | 105.1 Ų | 105.1 | 41% | 0.406 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -58.6 | -47.2 | 176 | 177.4 | 71.9 | 0 | 0 | 0 | 111 | L244 F250 Y251 R252 | L244-D248 PolarHBondContact O-N 2.75Å; D248-F250 VanDerWaalsContact C-N 3.35Å; D248-F250 PolarHBondContact O-N 3.44Å; D248-Y251 PolarHBondContact O-N 3.48Å; D248-R252 VanDerWaalsContact CG-NE 3.28Å; D248-R252 VanDerWaalsContact O-CB 3.3Å; D248-R252 WeakPolarHBondContact O-CB 3.43Å; D248-R252 VanDerWaalsContact O-CG 3.25Å; D248-R252 WeakPolarHBondContact O-CG 3.22Å; D248-R252 PolarHBondContact O-N 3.34Å; D248-R252 IonicContact OD1-CZ 3.74Å; D248-R252 IonicContact OD1-NE 3.08Å; D248-R252 PolarHBondContact OD1-NE 2.82Å; D248-R252 VanDerWaalsContact OD1-NE 3.08Å; D248-R252 IonicContact OD1-NH2 3.5Å; D248-R252 PolarHBondContact OD1-NH2 2.95Å; D248-R252 WeakPolarHBondContact OD2-CD 3.37Å; D248-R252 IonicContact OD2-CZ 3.67Å; D248-R252 IonicContact OD2-NE 2.78Å; D248-R252 PolarHBondContact OD2-NE 3.02Å; D248-R252 IonicContact OD2-NH2 3.72Å |
| 249 | A | 98.8 | Very high | 98.6 | Very high | 54 Ų | 54 | 104.3 Ų | 104.3 | 45% | 0.446 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -58.8 | -45.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | K245 Q247 R252 E253 | K245-A249 WeakPolarHBondContact O-CB 3.28Å; K245-A249 PolarHBondContact O-N 3.37Å; Q247-A249 PolarHBondContact O-N 2.85Å; A249-R252 PolarHBondContact O-N 3.07Å; A249-E253 WeakPolarHBondContact O-CB 3.49Å; A249-E253 PolarHBondContact O-N 3.49Å |
| 250 | F | 98.7 | Very high | 98.6 | Very high | 109 Ų | 109 | 107.5 Ų | 107.5 | 48% | 0.478 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -58.8 | -50.3 | 177.9 | 175 | -96.2 | 0 | 0 | 0 | 112 | K246 Q247 D248 E253 Q254 | K246-F250 WeakPolarHBondContact O-CB 3.36Å; K246-F250 PolarHBondContact O-N 3.46Å; Q247-F250 WeakPolarHBondContact O-CB 3.32Å; Q247-F250 PolarHBondContact O-N 3.33Å; D248-F250 VanDerWaalsContact C-N 3.35Å; D248-F250 PolarHBondContact O-N 3.44Å; F250-E253 PolarHBondContact O-N 3.45Å; F250-Q254 HydrophobicContact CD1-CG 4.48Å; F250-Q254 HydrophobicContact CE1-CG 4.07Å; F250-Q254 HydrophobicContact CZ-CG 4.11Å; F250-Q254 WeakPolarHBondContact O-CG 3.33Å; F250-Q254 PolarHBondContact O-N 3.49Å |
| 251 | Y | 98.4 | Very high | 98.5 | Very high | 149 Ų | 149 | 107.4 Ų | 107.4 | 58% | 0.584 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -69.8 | -36.3 | -179.1 | -72.4 | -64.2 | 0 | 0 | 0 | 112.5 | Q247 D248 E253 Q254 V255 | Q247-Y251 HydrophobicContact CB-CE2 4.48Å; Q247-Y251 WeakPolarHBondContact O-CD2 3.47Å; Q247-Y251 PolarHBondContact O-N 3.47Å; D248-Y251 PolarHBondContact O-N 3.48Å; Y251-E253 VanDerWaalsContact C-N 3.31Å; Y251-E253 PolarHBondContact O-N 2.93Å; Y251-Q254 PolarHBondContact O-N 2.95Å; Y251-V255 WeakPolarHBondContact O-CG2 3.21Å; Y251-V255 PolarHBondContact O-N 3.31Å |
| 252 | R | 98.7 | Very high | 98.5 | Very high | 165 Ų | 165 | 103.6 Ų | 103.6 | 62% | 0.623 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -59.6 | -43.5 | 172.4 | -77.9 | -177.9 | -171 | -100.3 | -3.3 | 111.6 | D248 A249 V255 A256 | D248-R252 VanDerWaalsContact CG-NE 3.28Å; D248-R252 VanDerWaalsContact O-CB 3.3Å; D248-R252 WeakPolarHBondContact O-CB 3.43Å; D248-R252 VanDerWaalsContact O-CG 3.25Å; D248-R252 WeakPolarHBondContact O-CG 3.22Å; D248-R252 PolarHBondContact O-N 3.34Å; D248-R252 IonicContact OD1-CZ 3.74Å; D248-R252 IonicContact OD1-NE 3.08Å; D248-R252 PolarHBondContact OD1-NE 2.82Å; D248-R252 VanDerWaalsContact OD1-NE 3.08Å; D248-R252 IonicContact OD1-NH2 3.5Å; D248-R252 PolarHBondContact OD1-NH2 2.95Å; D248-R252 WeakPolarHBondContact OD2-CD 3.37Å; D248-R252 IonicContact OD2-CZ 3.67Å; D248-R252 IonicContact OD2-NE 2.78Å; D248-R252 PolarHBondContact OD2-NE 3.02Å; D248-R252 IonicContact OD2-NH2 3.72Å; A249-R252 PolarHBondContact O-N 3.07Å; R252-V255 PolarHBondContact O-N 2.98Å; R252-A256 WeakPolarHBondContact O-CB 3.31Å; R252-A256 PolarHBondContact O-N 2.85Å |
| 253 | E | 98.6 | Very high | 98.5 | Very high | 130 Ų | 130 | 104.2 Ų | 104.2 | 61% | 0.607 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64 | -42.2 | 177 | -172.6 | 177.9 | -178.2 | 0 | 0 | 111.8 | A249 F250 Y251 V255 A256 R257 | A249-E253 WeakPolarHBondContact O-CB 3.49Å; A249-E253 PolarHBondContact O-N 3.49Å; F250-E253 PolarHBondContact O-N 3.45Å; Y251-E253 VanDerWaalsContact C-N 3.31Å; Y251-E253 PolarHBondContact O-N 2.93Å; E253-V255 VanDerWaalsContact C-N 3.35Å; E253-V255 PolarHBondContact O-N 3.29Å; E253-A256 PolarHBondContact O-N 3.16Å; E253-R257 WeakPolarHBondContact O-CB 3.32Å; E253-R257 PolarHBondContact O-N 2.92Å |
| 254 | Q | 98.4 | Very high | 98.4 | Very high | 79 Ų | 79 | 105.7 Ų | 105.7 | 37% | 0.369 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.6 | -44.2 | 175.6 | -66.9 | -50.3 | -53.8 | 0 | 0 | 112.1 | F250 Y251 R257 L258 | F250-Q254 HydrophobicContact CD1-CG 4.48Å; F250-Q254 HydrophobicContact CE1-CG 4.07Å; F250-Q254 HydrophobicContact CZ-CG 4.11Å; F250-Q254 WeakPolarHBondContact O-CG 3.33Å; F250-Q254 PolarHBondContact O-N 3.49Å; Y251-Q254 PolarHBondContact O-N 2.95Å; Q254-R257 PolarHBondContact O-N 3.01Å; Q254-L258 WeakPolarHBondContact O-CB 3.47Å; Q254-L258 PolarHBondContact O-N 3.41Å |
| 255 | V | 98.6 | Very high | 98.4 | Very high | 104 Ų | 104 | 107.1 Ų | 107.1 | 63% | 0.63 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.1 | -43.6 | 177.3 | 172.2 | 0 | 0 | 0 | 0 | 110.9 | Y251 R252 E253 R257 L258 G259 | Y251-V255 WeakPolarHBondContact O-CG2 3.21Å; Y251-V255 PolarHBondContact O-N 3.31Å; R252-V255 PolarHBondContact O-N 2.98Å; E253-V255 VanDerWaalsContact C-N 3.35Å; E253-V255 PolarHBondContact O-N 3.29Å; V255-R257 PolarHBondContact O-N 2.91Å; V255-L258 PolarHBondContact O-N 3.38Å; V255-G259 PolarHBondContact O-N 3.47Å |
| 256 | A | 98.6 | Very high | 98.4 | Very high | 62 Ų | 62 | 107 Ų | 107 | 51% | 0.512 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.7 | -46.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | R252 E253 L258 G259 E260 | R252-A256 WeakPolarHBondContact O-CB 3.31Å; R252-A256 PolarHBondContact O-N 2.85Å; E253-A256 PolarHBondContact O-N 3.16Å; A256-L258 PolarHBondContact O-N 3.41Å; A256-G259 PolarHBondContact O-N 2.96Å; A256-E260 WeakPolarHBondContact O-CB 3.34Å; A256-E260 PolarHBondContact O-N 2.94Å |
| 257 | R | 98.4 | Very high | 98.3 | Very high | 144 Ų | 144 | 107 Ų | 107 | 54% | 0.543 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.8 | -39.7 | 177.9 | -172.4 | 179.8 | -178.3 | -168.5 | 1.9 | 112.5 | E253 Q254 V255 R261 | E253-R257 WeakPolarHBondContact O-CB 3.32Å; E253-R257 PolarHBondContact O-N 2.92Å; Q254-R257 PolarHBondContact O-N 3.01Å; V255-R257 PolarHBondContact O-N 2.91Å; R257-R261 WeakPolarHBondContact O-CB 3.23Å; R257-R261 PolarHBondContact O-N 2.98Å |
| 258 | L | 98.3 | Very high | 98.3 | Very high | 115 Ų | 115 | 105.3 Ų | 105.3 | 60% | 0.602 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.6 | -44.2 | 174.6 | -174 | 70.1 | 0 | 0 | 0 | 110.8 | Q254 V255 A256 R261 S262 | Q254-L258 WeakPolarHBondContact O-CB 3.47Å; Q254-L258 PolarHBondContact O-N 3.41Å; V255-L258 PolarHBondContact O-N 3.38Å; A256-L258 PolarHBondContact O-N 3.41Å; L258-R261 PolarHBondContact O-N 3.42Å; L258-S262 WeakPolarHBondContact O-CB 3.4Å; L258-S262 PolarHBondContact O-N 3.31Å; L258-S262 PolarHBondContact O-OG 3.44Å |
| 259 | G | 98.1 | Very high | 98.3 | Very high | 35 Ų | 35 | 104.7 Ų | 104.7 | 36% | 0.361 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -57.1 | -48.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | V255 A256 S262 A263 | V255-G259 PolarHBondContact O-N 3.47Å; A256-G259 PolarHBondContact O-N 2.96Å; G259-S262 PolarHBondContact O-N 2.94Å; G259-S262 PolarHBondContact O-OG 3.43Å; G259-A263 WeakPolarHBondContact O-CB 3.22Å; G259-A263 PolarHBondContact O-N 3.41Å |
| 260 | E | 98.4 | Very high | 98.2 | Very high | 122 Ų | 122 | 105.8 Ų | 105.8 | 57% | 0.57 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.3 | -48.4 | 177.2 | -173.3 | -178.6 | -166.8 | 0 | 0 | 112 | A256 S262 A263 Q264 | A256-E260 WeakPolarHBondContact O-CB 3.34Å; A256-E260 PolarHBondContact O-N 2.94Å; E260-S262 VanDerWaalsContact C-N 3.29Å; E260-S262 PolarHBondContact O-N 2.94Å; E260-A263 PolarHBondContact O-N 2.95Å; E260-Q264 WeakPolarHBondContact O-CG 3.32Å; E260-Q264 PolarHBondContact O-N 3.48Å |
| 261 | R | 98.1 | Very high | 98.2 | Very high | 141 Ų | 141 | 105.5 Ų | 105.5 | 53% | 0.532 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.6 | -39.7 | 178.1 | -165.6 | -173.2 | -54.7 | 163.9 | 6.3 | 111.7 | R257 L258 Q264 F265 | R257-R261 WeakPolarHBondContact O-CB 3.23Å; R257-R261 PolarHBondContact O-N 2.98Å; L258-R261 PolarHBondContact O-N 3.42Å; R261-Q264 PolarHBondContact O-N 2.88Å; R261-F265 WeakPolarHBondContact O-CB 3.33Å; R261-F265 PolarHBondContact O-N 3.3Å |
| 262 | S | 97.9 | Very high | 98.1 | Very high | 53 Ų | 53 | 103.1 Ų | 103.1 | 37% | 0.371 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.9 | -43 | 176.2 | 76.6 | 0 | 0 | 0 | 0 | 111.5 | L258 G259 E260 Q264 F265 Y266 | L258-S262 WeakPolarHBondContact O-CB 3.4Å; L258-S262 PolarHBondContact O-N 3.31Å; L258-S262 PolarHBondContact O-OG 3.44Å; G259-S262 PolarHBondContact O-N 2.94Å; G259-S262 PolarHBondContact O-OG 3.43Å; E260-S262 VanDerWaalsContact C-N 3.29Å; E260-S262 PolarHBondContact O-N 2.94Å; S262-Q264 PolarHBondContact O-N 3.48Å; S262-F265 WeakPolarHBondContact O-CB 3.5Å; S262-F265 PolarHBondContact O-N 2.92Å; S262-Y266 WeakPolarHBondContact O-CD2 3.37Å; S262-Y266 PolarHBondContact O-N 3.23Å |
| 263 | A | 98.4 | Very high | 98.1 | Very high | 57 Ų | 57 | 102.7 Ų | 102.7 | 47% | 0.471 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.8 | -41.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | G259 E260 Y266 K267 | G259-A263 WeakPolarHBondContact O-CB 3.22Å; G259-A263 PolarHBondContact O-N 3.41Å; E260-A263 PolarHBondContact O-N 2.95Å; A263-Y266 PolarHBondContact O-N 3.5Å; A263-K267 WeakPolarHBondContact O-CB 3.5Å; A263-K267 PolarHBondContact O-N 3.32Å |
| 264 | Q | 97.5 | Very high | 98 | Very high | 109 Ų | 109 | 100.4 Ų | 100.4 | 51% | 0.509 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.2 | -44.2 | 173.6 | -71.8 | 176.9 | 5.3 | 0 | 0 | 111.7 | E260 R261 S262 K267 V268 | E260-Q264 WeakPolarHBondContact O-CG 3.32Å; E260-Q264 PolarHBondContact O-N 3.48Å; R261-Q264 PolarHBondContact O-N 2.88Å; S262-Q264 PolarHBondContact O-N 3.48Å; Q264-K267 PolarHBondContact O-N 2.94Å; Q264-V268 WeakPolarHBondContact O-CG2 3.15Å; Q264-V268 PolarHBondContact O-N 3.24Å |
| 265 | F | 98.1 | Very high | 97.9 | Very high | 142 Ų | 142 | 102.8 Ų | 102.8 | 62% | 0.623 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.3 | -47 | 176.4 | -177.6 | -94.6 | 0 | 0 | 0 | 111.7 | R261 S262 K267 V268 T269 | R261-F265 WeakPolarHBondContact O-CB 3.33Å; R261-F265 PolarHBondContact O-N 3.3Å; S262-F265 WeakPolarHBondContact O-CB 3.5Å; S262-F265 PolarHBondContact O-N 2.92Å; F265-K267 VanDerWaalsContact C-N 3.34Å; F265-K267 PolarHBondContact O-N 2.96Å; F265-V268 PolarHBondContact O-N 3.43Å; F265-T269 VanDerWaalsContact O-CB 3.3Å; F265-T269 WeakPolarHBondContact O-CB 3.37Å; F265-T269 PolarHBondContact O-N 2.94Å; F265-T269 PolarHBondContact O-OG1 2.98Å |
| 266 | Y | 97.9 | Very high | 97.8 | Very high | 156 Ų | 156 | 100.1 Ų | 100.1 | 61% | 0.612 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.3 | -39.2 | 176.2 | -73.6 | -62.4 | 0 | 0 | 0 | 112.8 | S262 A263 T269 T270 | S262-Y266 WeakPolarHBondContact O-CD2 3.37Å; S262-Y266 PolarHBondContact O-N 3.23Å; A263-Y266 PolarHBondContact O-N 3.5Å; Y266-T269 PolarHBondContact O-N 3.11Å; Y266-T270 WeakPolarHBondContact O-CB 3.28Å; Y266-T270 PolarHBondContact O-N 3.34Å; Y266-T270 PolarHBondContact O-OG1 2.97Å |
| 267 | K | 98.2 | Very high | 97.6 | Very high | 133 Ų | 133 | 100.1 Ų | 100.1 | 58% | 0.578 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.4 | -55.2 | 177.1 | -175 | -179.6 | 176.5 | -177.1 | 0 | 111.2 | A263 Q264 F265 T269 T270 E271 | A263-K267 WeakPolarHBondContact O-CB 3.5Å; A263-K267 PolarHBondContact O-N 3.32Å; Q264-K267 PolarHBondContact O-N 2.94Å; F265-K267 VanDerWaalsContact C-N 3.34Å; F265-K267 PolarHBondContact O-N 2.96Å; K267-T269 VanDerWaalsContact C-N 3.28Å; K267-T269 PolarHBondContact O-N 2.98Å; K267-T270 PolarHBondContact O-N 2.78Å; K267-E271 WeakPolarHBondContact CE-OE1 3.39Å; K267-E271 WeakPolarHBondContact CG-OE1 3.35Å; K267-E271 WeakPolarHBondContact O-CG 3.47Å; K267-E271 PolarHBondContact O-N 3.32Å |
| 268 | V | 98.1 | Very high | 97.4 | Very high | 76 Ų | 76 | 98.2 Ų | 98.2 | 46% | 0.461 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.1 | -39.3 | 179.1 | 174.3 | 0 | 0 | 0 | 0 | 111.4 | Q264 F265 E271 N272 | Q264-V268 WeakPolarHBondContact O-CG2 3.15Å; Q264-V268 PolarHBondContact O-N 3.24Å; F265-V268 PolarHBondContact O-N 3.43Å; V268-E271 PolarHBondContact O-N 3.43Å; V268-N272 WeakPolarHBondContact O-CB 3.3Å; V268-N272 VanDerWaalsContact O-CG 3.3Å; V268-N272 PolarHBondContact O-N 2.88Å; V268-N272 PolarHBondContact O-ND2 3.46Å |
| 269 | T | 97.3 | Very high | 97.1 | Very high | 63 Ų | 63 | 97.5 Ų | 97.5 | 39% | 0.387 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.8 | -44.8 | 177.7 | -57.5 | 0 | 0 | 0 | 0 | 111.4 | F265 Y266 K267 N272 Y273 | F265-T269 VanDerWaalsContact O-CB 3.3Å; F265-T269 WeakPolarHBondContact O-CB 3.37Å; F265-T269 PolarHBondContact O-N 2.94Å; F265-T269 PolarHBondContact O-OG1 2.98Å; Y266-T269 PolarHBondContact O-N 3.11Å; K267-T269 VanDerWaalsContact C-N 3.28Å; K267-T269 PolarHBondContact O-N 2.98Å; T269-N272 PolarHBondContact O-N 3.47Å; T269-Y273 WeakPolarHBondContact O-CB 3.29Å; T269-Y273 PolarHBondContact O-N 2.85Å |
| 270 | T | 98.1 | Very high | 96.9 | Very high | 77 Ų | 77 | 99.9 Ų | 99.9 | 47% | 0.472 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67 | -43.6 | 179.3 | -55.2 | 0 | 0 | 0 | 0 | 111.2 | Y266 K267 Y273 N274 | Y266-T270 WeakPolarHBondContact O-CB 3.28Å; Y266-T270 PolarHBondContact O-N 3.34Å; Y266-T270 PolarHBondContact O-OG1 2.97Å; K267-T270 PolarHBondContact O-N 2.78Å; T270-Y273 PolarHBondContact O-N 3.35Å; T270-N274 WeakPolarHBondContact O-CB 3.43Å; T270-N274 VanDerWaalsContact O-CG 3.25Å; T270-N274 PolarHBondContact O-N 3.28Å; T270-N274 PolarHBondContact O-ND2 3.19Å |
| 271 | E | 97.5 | Very high | 96.4 | Very high | 103 Ų | 103 | 98.2 Ų | 98.2 | 48% | 0.481 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.6 | -46.1 | 175.9 | -73.7 | 171.9 | -176.4 | 0 | 0 | 111.7 | K267 V268 N274 K275 | K267-E271 WeakPolarHBondContact CE-OE1 3.39Å; K267-E271 WeakPolarHBondContact CG-OE1 3.35Å; K267-E271 WeakPolarHBondContact O-CG 3.47Å; K267-E271 PolarHBondContact O-N 3.32Å; V268-E271 PolarHBondContact O-N 3.43Å; E271-N274 PolarHBondContact O-N 3.36Å; E271-K275 VanDerWaalsContact O-CB 3.28Å; E271-K275 WeakPolarHBondContact O-CB 3.26Å; E271-K275 PolarHBondContact O-N 3.49Å |
| 272 | N | 97.7 | Very high | 96 | Very high | 100 Ų | 100 | 94.9 Ų | 94.9 | 54% | 0.535 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.5 | -40.6 | 177 | -76.5 | -26 | 0 | 0 | 0 | 112.4 | V268 T269 K275 A276 | V268-N272 WeakPolarHBondContact O-CB 3.3Å; V268-N272 VanDerWaalsContact O-CG 3.3Å; V268-N272 PolarHBondContact O-N 2.88Å; V268-N272 PolarHBondContact O-ND2 3.46Å; T269-N272 PolarHBondContact O-N 3.47Å; N272-K275 PolarHBondContact O-N 2.83Å; N272-A276 WeakPolarHBondContact O-CB 3.49Å; N272-A276 PolarHBondContact O-N 3.49Å |
| 273 | Y | 97.6 | Very high | 95.4 | Very high | 156 Ų | 156 | 100.3 Ų | 100.3 | 61% | 0.612 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.1 | -50.6 | 175.9 | 177.8 | -95.4 | 0 | 0 | 0 | 111.2 | T269 T270 K275 A276 V277 | T269-Y273 WeakPolarHBondContact O-CB 3.29Å; T269-Y273 PolarHBondContact O-N 2.85Å; T270-Y273 PolarHBondContact O-N 3.35Å; Y273-K275 VanDerWaalsContact C-N 3.31Å; Y273-K275 PolarHBondContact O-N 3.28Å; Y273-A276 WeakPolarHBondContact O-CB 3.32Å; Y273-A276 PolarHBondContact O-N 2.88Å; Y273-A276 VanDerWaalsContact O-N 3.08Å; Y273-V277 HydrophobicContact CD1-CG2 4.01Å; Y273-V277 HydrophobicContact CE1-CG2 3.57Å; Y273-V277 HydrophobicContact CE2-CG2 4.3Å; Y273-V277 WeakPolarHBondContact O-CG2 3.49Å; Y273-V277 PolarHBondContact O-N 3.06Å |
| 274 | N | 96.8 | Very high | 94.6 | Very high | 81 Ų | 81 | 104.7 Ų | 104.7 | 43% | 0.433 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.3 | -43.3 | 178.9 | -70.5 | -22 | 0 | 0 | 0 | 111.1 | T270 E271 A276 V277 D278 | T270-N274 WeakPolarHBondContact O-CB 3.43Å; T270-N274 VanDerWaalsContact O-CG 3.25Å; T270-N274 PolarHBondContact O-N 3.28Å; T270-N274 PolarHBondContact O-ND2 3.19Å; E271-N274 PolarHBondContact O-N 3.36Å; N274-A276 VanDerWaalsContact C-N 3.31Å; N274-A276 PolarHBondContact O-N 2.98Å; N274-V277 WeakPolarHBondContact O-CB 3.36Å; N274-V277 PolarHBondContact O-N 3.49Å; N274-D278 VanDerWaalsContact O-CG 3.3Å; N274-D278 PolarHBondContact O-N 3.5Å |
| 275 | K | 97.4 | Very high | 93.2 | Very high | 129 Ų | 129 | 107.4 Ų | 107.4 | 56% | 0.561 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -60.8 | -39.5 | 174.9 | -173.1 | 177.8 | -178 | 177.7 | 0 | 112.3 | E271 N272 Y273 D278 Q279 | E271-K275 VanDerWaalsContact O-CB 3.28Å; E271-K275 WeakPolarHBondContact O-CB 3.26Å; E271-K275 PolarHBondContact O-N 3.49Å; N272-K275 PolarHBondContact O-N 2.83Å; Y273-K275 VanDerWaalsContact C-N 3.31Å; Y273-K275 PolarHBondContact O-N 3.28Å; K275-D278 PolarHBondContact O-N 3.47Å; K275-Q279 WeakPolarHBondContact O-CB 3.35Å; K275-Q279 VanDerWaalsContact O-CG 3.26Å; K275-Q279 WeakPolarHBondContact O-CG 3.32Å; K275-Q279 PolarHBondContact O-N 3.47Å |
| 276 | A | 95.9 | Very high | 91.8 | Very high | 48 Ų | 48 | 111.2 Ų | 111.2 | 40% | 0.397 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.9 | -41.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | N272 Y273 N274 D278 Q279 V280 | N272-A276 WeakPolarHBondContact O-CB 3.49Å; N272-A276 PolarHBondContact O-N 3.49Å; Y273-A276 WeakPolarHBondContact O-CB 3.32Å; Y273-A276 PolarHBondContact O-N 2.88Å; Y273-A276 VanDerWaalsContact O-N 3.08Å; N274-A276 VanDerWaalsContact C-N 3.31Å; N274-A276 PolarHBondContact O-N 2.98Å; A276-D278 VanDerWaalsContact C-N 3.35Å; A276-Q279 PolarHBondContact O-N 2.9Å; A276-V280 WeakPolarHBondContact O-CB 3.36Å; A276-V280 WeakPolarHBondContact O-CG2 3.35Å; A276-V280 PolarHBondContact O-N 3.45Å |
| 277 | V | 95 | Very high | 90.2 | Very high | 63 Ų | 63 | 114.4 Ų | 114.4 | 38% | 0.382 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -58.6 | -47 | 173.2 | 170.4 | 0 | 0 | 0 | 0 | 110.6 | Y273 N274 Q279 V280 N281 | Y273-V277 HydrophobicContact CD1-CG2 4.01Å; Y273-V277 HydrophobicContact CE1-CG2 3.57Å; Y273-V277 HydrophobicContact CE2-CG2 4.3Å; Y273-V277 WeakPolarHBondContact O-CG2 3.49Å; Y273-V277 PolarHBondContact O-N 3.06Å; N274-V277 WeakPolarHBondContact O-CB 3.36Å; N274-V277 PolarHBondContact O-N 3.49Å; V277-Q279 PolarHBondContact O-N 3.47Å; V277-V280 PolarHBondContact O-N 2.89Å; V277-N281 VanDerWaalsContact O-CB 3.27Å; V277-N281 WeakPolarHBondContact O-CB 3.44Å; V277-N281 PolarHBondContact O-N 3.42Å |
| 278 | D | 93.3 | Very high | 88.6 | Confident | 103 Ų | 103 | 115.6 Ų | 115.6 | 55% | 0.551 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -63.1 | -42.6 | 178.3 | -69.6 | -27.6 | 0 | 0 | 0 | 111.9 | N274 K275 A276 N281 A282 | N274-D278 VanDerWaalsContact O-CG 3.3Å; N274-D278 PolarHBondContact O-N 3.5Å; K275-D278 PolarHBondContact O-N 3.47Å; A276-D278 VanDerWaalsContact C-N 3.35Å; D278-N281 PolarHBondContact O-N 3.19Å; D278-A282 VanDerWaalsContact O-CB 3.28Å; D278-A282 WeakPolarHBondContact O-CB 3.42Å; D278-A282 PolarHBondContact O-N 3.48Å |
| 279 | Q | 92.6 | Very high | 87.3 | Confident | 100 Ų | 100 | 117.9 Ų | 117.9 | 47% | 0.467 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.2 | -42.9 | 176.2 | -75.9 | 176.3 | 30.8 | 0 | 0 | 112.3 | K275 A276 V277 A282 K283 | K275-Q279 WeakPolarHBondContact O-CB 3.35Å; K275-Q279 VanDerWaalsContact O-CG 3.26Å; K275-Q279 WeakPolarHBondContact O-CG 3.32Å; K275-Q279 PolarHBondContact O-N 3.47Å; A276-Q279 PolarHBondContact O-N 2.9Å; V277-Q279 PolarHBondContact O-N 3.47Å; Q279-A282 PolarHBondContact O-N 3.04Å; Q279-K283 WeakPolarHBondContact O-CB 3.35Å; Q279-K283 WeakPolarHBondContact O-CG 3.41Å; Q279-K283 PolarHBondContact O-N 3.26Å |
| 280 | V | 92.6 | Very high | 86.1 | Confident | 86 Ų | 86 | 121 Ų | 121 | 52% | 0.521 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -64.9 | -45.2 | 175.5 | 170.2 | 0 | 0 | 0 | 0 | 109.8 | A276 V277 A282 K283 F284 | A276-V280 WeakPolarHBondContact O-CB 3.36Å; A276-V280 WeakPolarHBondContact O-CG2 3.35Å; A276-V280 PolarHBondContact O-N 3.45Å; V277-V280 PolarHBondContact O-N 2.89Å; V280-A282 VanDerWaalsContact C-N 3.31Å; V280-A282 PolarHBondContact O-N 3Å; V280-K283 PolarHBondContact O-N 2.7Å; V280-F284 HydrophobicContact CG1-CD2 4.16Å; V280-F284 WeakPolarHBondContact O-CA 3.41Å; V280-F284 VanDerWaalsContact O-CB 3.3Å; V280-F284 WeakPolarHBondContact O-CB 3.42Å; V280-F284 PolarHBondContact O-N 2.88Å |
| 281 | N | 88.7 | Confident | 85.4 | Confident | 86 Ų | 86 | 121.7 Ų | 121.7 | 46% | 0.46 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -64.7 | -34.3 | 178.8 | -169.6 | 47.1 | 0 | 0 | 0 | 112.5 | V277 D278 F284 K285 | V277-N281 VanDerWaalsContact O-CB 3.27Å; V277-N281 WeakPolarHBondContact O-CB 3.44Å; V277-N281 PolarHBondContact O-N 3.42Å; D278-N281 PolarHBondContact O-N 3.19Å; N281-F284 CarbonylContact O-C 3.58Å; N281-K285 VanDerWaalsContact O-CA 3.29Å; N281-K285 WeakPolarHBondContact O-CA 3.43Å; N281-K285 VanDerWaalsContact O-CG 3.32Å; N281-K285 WeakPolarHBondContact O-CG 3.43Å; N281-K285 PolarHBondContact O-N 3.31Å |
| 282 | A | 88.8 | Confident | 84.8 | Confident | 71 Ų | 71 | 121.1 Ų | 121.1 | 59% | 0.587 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -70.3 | -43 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | D278 Q279 V280 | D278-A282 VanDerWaalsContact O-CB 3.28Å; D278-A282 WeakPolarHBondContact O-CB 3.42Å; D278-A282 PolarHBondContact O-N 3.48Å; Q279-A282 PolarHBondContact O-N 3.04Å; V280-A282 VanDerWaalsContact C-N 3.31Å; V280-A282 PolarHBondContact O-N 3Å |
| 283 | K | 85.9 | Confident | 84.5 | Confident | 167 Ų | 167 | 117.1 Ų | 117.1 | 73% | 0.726 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -74.9 | -35.3 | 178.6 | -73 | -177.3 | 177.9 | -178.8 | 0 | 112.9 | Q279 V280 | Q279-K283 WeakPolarHBondContact O-CB 3.35Å; Q279-K283 WeakPolarHBondContact O-CG 3.41Å; Q279-K283 PolarHBondContact O-N 3.26Å; V280-K283 PolarHBondContact O-N 2.7Å |
| 284 | F | 81.7 | Confident | 84.2 | Confident | 149 Ų | 149 | 110.6 Ų | 110.6 | 65% | 0.654 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.9 | 51.6 | -177 | -61.1 | -87 | 0 | 0 | 0 | 109.8 | V280 N281 R286 | V280-F284 HydrophobicContact CG1-CD2 4.16Å; V280-F284 WeakPolarHBondContact O-CA 3.41Å; V280-F284 VanDerWaalsContact O-CB 3.3Å; V280-F284 WeakPolarHBondContact O-CB 3.42Å; V280-F284 PolarHBondContact O-N 2.88Å; N281-F284 CarbonylContact O-C 3.58Å; F284-R286 PolarHBondContact O-N 2.74Å |
| 285 | K | 67.3 | Low | 83.9 | Confident | 166 Ų | 166 | 113.2 Ų | 113.2 | 72% | 0.722 | 57% | 0.572 | S | S | * | * | trans | -48.7 | 117.7 | 165.2 | -83.4 | -170.4 | 176.4 | -174.7 | 0 | 106.1 | N281 Y287 | N281-K285 VanDerWaalsContact O-CA 3.29Å; N281-K285 WeakPolarHBondContact O-CA 3.43Å; N281-K285 VanDerWaalsContact O-CG 3.32Å; N281-K285 WeakPolarHBondContact O-CG 3.43Å; N281-K285 PolarHBondContact O-N 3.31Å; K285-Y287 PolarHBondContact O-N 2.78Å; K285-Y287 VanDerWaalsContact O-N 3.12Å | ||
| 286 | R | 69.2 | Low | 83.7 | Confident | 222 Ų | 222 | 108.8 Ų | 108.8 | 84% | 0.838 | 55% | 0.554 | S | S | * | * | trans | -49.6 | 128.1 | 179.9 | -74.9 | -169.6 | 172.1 | 99.5 | -0.7 | 106.4 | F284 E288 | F284-R286 PolarHBondContact O-N 2.74Å; R286-E288 PolarHBondContact O-N 2.88Å | ||
| 287 | Y | 65.4 | Low | 83.6 | Confident | 224 Ų | 224 | 110.5 Ų | 110.5 | 88% | 0.878 | 55% | 0.553 | S | S | * | * | trans | -40.3 | 115.4 | 172 | -93.4 | -96.5 | 0 | 0 | 0 | 107.5 | K285 V289 | K285-Y287 PolarHBondContact O-N 2.78Å; K285-Y287 VanDerWaalsContact O-N 3.12Å; Y287-V289 PolarHBondContact O-N 3.03Å | ||
| 288 | E | 64.2 | Low | 83.5 | Confident | 157 Ų | 157 | 109.4 Ų | 109.4 | 73% | 0.734 | 56% | 0.555 | S | S | * | * | trans | -71.7 | 87.9 | 177.1 | -149.7 | 169 | -152.2 | 0 | 0 | 104.6 | R286 H290 | R286-E288 PolarHBondContact O-N 2.88Å; E288-H290 WeakPolarHBondContact CG-CE1 3.35Å; E288-H290 PolarHBondContact O-N 3.22Å; E288-H290 PolarHBondContact O-ND1 2.89Å; E288-H290 IonicContact OE2-CE1 3.34Å; E288-H290 PolarHBondContact OE2-CE1 3.2Å | ||
| 289 | V | 69.5 | Low | 83.6 | Confident | 125 Ų | 125 | 109.4 Ų | 109.4 | 76% | 0.758 | 55% | 0.552 | S | S | * | * | trans | -70.8 | 88.3 | 179.5 | -179.1 | 0 | 0 | 0 | 0 | 106 | Y287 P291 | Y287-V289 PolarHBondContact O-N 3.03Å; V289-P291 VanDerWaalsContact O-CD 3.26Å; V289-P291 WeakPolarHBondContact O-CD 3.44Å | ||
| 290 | H | 73 | Confident | 83.7 | Confident | 129 Ų | 129 | 105.6 Ų | 105.6 | 60% | 0.597 | 54% | 0.535 | S | S | * | . | trans | -71.7 | 113.7 | 170.8 | -69.6 | 81.6 | 0 | 0 | 0 | 107.2 | E288 V292 | E288-H290 WeakPolarHBondContact CG-CE1 3.35Å; E288-H290 PolarHBondContact O-N 3.22Å; E288-H290 PolarHBondContact O-ND1 2.89Å; E288-H290 IonicContact OE2-CE1 3.34Å; E288-H290 PolarHBondContact OE2-CE1 3.2Å; H290-V292 PolarHBondContact O-N 3.4Å; H290-V292 VanDerWaalsContact O-N 3.08Å | ||
| 291 | P | 82.6 | Confident | 83.7 | Confident | 91 Ų | 91 | 105.9 Ų | 105.9 | 59% | 0.591 | 53% | 0.533 | S | S | * | . | trans | -61.6 | 118.2 | 177.6 | 25.3 | -32.2 | 0 | 0 | 0 | 108.4 | V289 C293 G294 | V289-P291 VanDerWaalsContact O-CD 3.26Å; V289-P291 WeakPolarHBondContact O-CD 3.44Å; P291-C293 PolarHBondContact O-N 2.86Å; P291-G294 PolarHBondContact O-N 3.36Å | ||
| 292 | V | 85.6 | Confident | 84.1 | Confident | 90 Ų | 90 | 104.7 Ų | 104.7 | 55% | 0.545 | 53% | 0.531 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | 127.4 | 179 | -172.3 | 0 | 0 | 0 | 0 | 108.1 | H290 G294 A328 | H290-V292 PolarHBondContact O-N 3.4Å; H290-V292 VanDerWaalsContact O-N 3.08Å; V292-G294 VanDerWaalsContact C-N 3.26Å; V292-G294 PolarHBondContact O-N 3.48Å; V292-A328 HydrophobicContact CG1-CB 3.47Å; V292-A328 VanDerWaalsContact CG1-CB 3.47Å |
| 293 | C | 91.5 | Very high | 84.3 | Confident | 16 Ų | 16 | 102.1 Ų | 102.1 | 11% | 0.108 | 51% | 0.509 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64.9 | 21.1 | -174.1 | -39.3 | 0 | 0 | 0 | 0 | 114.9 | P291 D295 L296 Q297 Y321 C324 V325 | P291-C293 PolarHBondContact O-N 2.86Å; C293-D295 VanDerWaalsContact C-N 3.3Å; C293-D295 PolarHBondContact O-N 2.91Å; C293-L296 PolarHBondContact O-N 3.28Å; C293-Q297 WeakPolarHBondContact O-CB 3.34Å; C293-Q297 PolarHBondContact O-N 2.97Å; C293-Y321 HydrophobicContact CB-CD2 3.94Å; C293-Y321 HydrophobicContact CB-CE2 3.84Å; C293-C324 HydrophobicContact CB-CB 3.91Å; C293-C324 WeakPolarHBondContact CB-SG 3.35Å; C293-C324 WeakPolarHBondContact SG-CB 3.3Å; C293-C324 CovalentContact SG-SG 2.02Å; C293-C324 PolarHBondContact SG-SG 3.5Å; C293-V325 PolarHBondContact SG-N 2.9Å; C293-V325 VanDerWaalsContact SG-N 3.44Å |
| 294 | G | 90.5 | Very high | 84.8 | Confident | 19 Ų | 19 | 98.3 Ų | 98.3 | 20% | 0.196 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -56 | -39.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | P291 V292 Q297 G298 | P291-G294 PolarHBondContact O-N 3.36Å; V292-G294 VanDerWaalsContact C-N 3.26Å; V292-G294 PolarHBondContact O-N 3.48Å; G294-Q297 WeakPolarHBondContact O-CB 3.48Å; G294-Q297 PolarHBondContact O-N 3.29Å; G294-G298 PolarHBondContact O-N 2.89Å |
| 295 | D | 91.4 | Very high | 85.4 | Confident | 137 Ų | 137 | 99 Ų | 99 | 73% | 0.733 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -67.3 | -43.2 | 178.5 | -56.5 | -40.9 | 0 | 0 | 0 | 112.2 | C293 Q297 G298 Q299 | C293-D295 VanDerWaalsContact C-N 3.3Å; C293-D295 PolarHBondContact O-N 2.91Å; D295-Q297 VanDerWaalsContact C-N 3.3Å; D295-Q297 PolarHBondContact O-N 3.29Å; D295-G298 PolarHBondContact O-N 3.34Å; D295-Q299 WeakPolarHBondContact O-CG 3.47Å; D295-Q299 PolarHBondContact O-N 3.35Å |
| 296 | L | 93.7 | Very high | 86.7 | Confident | 36 Ų | 36 | 96.8 Ų | 96.8 | 19% | 0.188 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -65.7 | -35.6 | 175 | -76.3 | 166.1 | 0 | 0 | 0 | 111.4 | C293 G298 Q299 I300 L320 Y321 C324 | C293-L296 PolarHBondContact O-N 3.28Å; L296-G298 VanDerWaalsContact C-N 3.33Å; L296-Q299 PolarHBondContact O-N 2.9Å; L296-I300 WeakPolarHBondContact O-CB 3.28Å; L296-I300 WeakPolarHBondContact O-CG2 3.38Å; L296-I300 PolarHBondContact O-N 2.89Å; L296-L320 HydrophobicContact CD2-CB 3.95Å; L296-Y321 HydrophobicContact CB-CD2 3.87Å; L296-C324 HydrophobicContact CD1-CB 3.68Å |
| 297 | Q | 92.6 | Very high | 87.7 | Confident | 83 Ų | 83 | 88.4 Ų | 88.4 | 39% | 0.388 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.9 | -39 | 172.7 | -170.6 | 177.1 | -9.2 | 0 | 0 | 111.5 | C293 G294 D295 I300 L301 Y321 | C293-Q297 WeakPolarHBondContact O-CB 3.34Å; C293-Q297 PolarHBondContact O-N 2.97Å; G294-Q297 WeakPolarHBondContact O-CB 3.48Å; G294-Q297 PolarHBondContact O-N 3.29Å; D295-Q297 VanDerWaalsContact C-N 3.3Å; D295-Q297 PolarHBondContact O-N 3.29Å; Q297-I300 WeakPolarHBondContact O-CG2 3.26Å; Q297-L301 HydrophobicContact CG-CD1 4.21Å; Q297-L301 WeakPolarHBondContact O-CB 3.31Å; Q297-L301 WeakPolarHBondContact O-CD1 3.35Å; Q297-L301 WeakPolarHBondContact O-CG 3.37Å; Q297-L301 PolarHBondContact O-N 2.93Å; Q297-Y321 HydrophobicContact CB-CD2 4.33Å; Q297-Y321 HydrophobicContact CB-CE2 3.78Å; Q297-Y321 HydrophobicContact CG-CE2 4.33Å |
| 298 | G | 93.9 | Very high | 88.9 | Confident | 41 Ų | 41 | 81.8 Ų | 81.8 | 42% | 0.423 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.4 | -47.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | G294 D295 L296 I300 L301 S302 | G294-G298 PolarHBondContact O-N 2.89Å; D295-G298 PolarHBondContact O-N 3.34Å; L296-G298 VanDerWaalsContact C-N 3.33Å; G298-I300 PolarHBondContact O-N 3.45Å; G298-L301 PolarHBondContact O-N 3.48Å; G298-S302 PolarHBondContact O-N 2.9Å |
| 299 | Q | 94.1 | Very high | 90 | Very high | 103 Ų | 103 | 78.1 Ų | 78.1 | 48% | 0.481 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63.3 | -42.9 | -178.5 | -70.7 | 173.2 | 34 | 0 | 0 | 112.9 | D295 L296 S302 C303 I317 | D295-Q299 WeakPolarHBondContact O-CG 3.47Å; D295-Q299 PolarHBondContact O-N 3.35Å; L296-Q299 PolarHBondContact O-N 2.9Å; Q299-S302 PolarHBondContact O-N 3.22Å; Q299-C303 WeakPolarHBondContact O-CB 3.28Å; Q299-C303 PolarHBondContact O-N 2.96Å; Q299-I317 HydrophobicContact CB-CG2 3.97Å |
| 300 | I | 94.8 | Very high | 91 | Very high | 20 Ų | 20 | 79.1 Ų | 79.1 | 10% | 0.103 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -68.1 | -40.8 | 179 | -162 | -175.5 | 0 | 0 | 0 | 111.4 | L296 Q297 G298 S302 C303 Y304 I317 A318 | L296-I300 WeakPolarHBondContact O-CB 3.28Å; L296-I300 WeakPolarHBondContact O-CG2 3.38Å; L296-I300 PolarHBondContact O-N 2.89Å; Q297-I300 WeakPolarHBondContact O-CG2 3.26Å; G298-I300 PolarHBondContact O-N 3.45Å; I300-S302 VanDerWaalsContact C-N 3.32Å; I300-S302 PolarHBondContact O-N 3.35Å; I300-C303 PolarHBondContact O-N 2.86Å; I300-Y304 HydrophobicContact CD1-CE2 3.63Å; I300-Y304 HydrophobicContact CG1-CD2 4Å; I300-Y304 HydrophobicContact CG1-CE2 3.5Å; I300-Y304 WeakPolarHBondContact O-CD2 3.4Å; I300-Y304 PolarHBondContact O-N 3.18Å; I300-I317 HydrophobicContact CB-CG2 3.91Å; I300-I317 HydrophobicContact CG1-CG2 4.4Å; I300-A318 HydrophobicContact CD1-CB 3.67Å; I300-A318 HydrophobicContact CG1-CB 4.44Å |
| 301 | L | 94.2 | Very high | 91.7 | Very high | 91 Ų | 91 | 76.8 Ų | 76.8 | 48% | 0.476 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -66.2 | -35.7 | 176.7 | -72.7 | 174.7 | 0 | 0 | 0 | 111.7 | Q297 G298 K305 | Q297-L301 HydrophobicContact CG-CD1 4.21Å; Q297-L301 WeakPolarHBondContact O-CB 3.31Å; Q297-L301 WeakPolarHBondContact O-CD1 3.35Å; Q297-L301 WeakPolarHBondContact O-CG 3.37Å; Q297-L301 PolarHBondContact O-N 2.93Å; G298-L301 PolarHBondContact O-N 3.48Å; L301-K305 VanDerWaalsContact O-CG 3.27Å; L301-K305 WeakPolarHBondContact O-CG 3.36Å; L301-K305 PolarHBondContact O-N 2.9Å |
| 302 | S | 95.5 | Very high | 92 | Very high | 61 Ų | 61 | 79.2 Ų | 79.2 | 43% | 0.427 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -65.9 | -50 | 172.3 | -159 | 0 | 0 | 0 | 0 | 111 | G298 Q299 I300 Y304 K305 D306 | G298-S302 PolarHBondContact O-N 2.9Å; Q299-S302 PolarHBondContact O-N 3.22Å; I300-S302 VanDerWaalsContact C-N 3.32Å; I300-S302 PolarHBondContact O-N 3.35Å; S302-Y304 VanDerWaalsContact C-N 3.31Å; S302-Y304 PolarHBondContact O-N 3.41Å; S302-K305 WeakPolarHBondContact O-CB 3.38Å; S302-K305 PolarHBondContact O-N 3.29Å; S302-D306 VanDerWaalsContact O-CG 3.3Å; S302-D306 PolarHBondContact O-N 3.37Å |
| 303 | C | 94.8 | Very high | 92.3 | Very high | 18 Ų | 18 | 80 Ų | 80 | 12% | 0.122 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -58.3 | -41.4 | -178.2 | -174.4 | 0 | 0 | 0 | 0 | 112.5 | Q299 I300 D306 N307 C314 I317 | Q299-C303 WeakPolarHBondContact O-CB 3.28Å; Q299-C303 PolarHBondContact O-N 2.96Å; I300-C303 PolarHBondContact O-N 2.86Å; C303-D306 PolarHBondContact O-N 2.94Å; C303-N307 WeakPolarHBondContact O-CB 3.3Å; C303-N307 PolarHBondContact O-N 3.18Å; C303-N307 PolarHBondContact O-ND2 2.84Å; C303-C314 HydrophobicContact CB-CB 3.86Å; C303-C314 WeakPolarHBondContact CB-SG 3.29Å; C303-C314 PolarHBondContact O-SG 2.71Å; C303-C314 WeakPolarHBondContact SG-CA 3.3Å; C303-C314 WeakPolarHBondContact SG-CB 3.36Å; C303-C314 CovalentContact SG-SG 2.04Å; C303-C314 PolarHBondContact SG-SG 3.45Å; C303-I317 HydrophobicContact CB-CD1 3.91Å |
| 304 | Y | 94.8 | Very high | 92.5 | Very high | 87 Ų | 87 | 79.2 Ų | 79.2 | 34% | 0.341 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -68.6 | -32.2 | 177.3 | -71.9 | -37.3 | 0 | 0 | 0 | 113.8 | I300 S302 T311 C314 | I300-Y304 HydrophobicContact CD1-CE2 3.63Å; I300-Y304 HydrophobicContact CG1-CD2 4Å; I300-Y304 HydrophobicContact CG1-CE2 3.5Å; I300-Y304 WeakPolarHBondContact O-CD2 3.4Å; I300-Y304 PolarHBondContact O-N 3.18Å; S302-Y304 VanDerWaalsContact C-N 3.31Å; S302-Y304 PolarHBondContact O-N 3.41Å; Y304-T311 HydrophobicContact CD1-CG2 3.85Å; Y304-T311 HydrophobicContact CE1-CG2 4.01Å; Y304-C314 HydrophobicContact CD1-CB 3.78Å; Y304-C314 HydrophobicContact CE1-CB 3.52Å |
| 305 | K | 94.6 | Very high | 92.6 | Very high | 164 Ų | 164 | 81 Ų | 81 | 71% | 0.713 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -65.8 | -42.1 | 172.5 | -73 | 170.8 | -178.3 | 179.7 | 0 | 110.9 | L301 S302 N307 | L301-K305 VanDerWaalsContact O-CG 3.27Å; L301-K305 WeakPolarHBondContact O-CG 3.36Å; L301-K305 PolarHBondContact O-N 2.9Å; S302-K305 WeakPolarHBondContact O-CB 3.38Å; S302-K305 PolarHBondContact O-N 3.29Å; K305-N307 VanDerWaalsContact C-N 3.33Å |
| 306 | D | 95 | Very high | 92.7 | Very high | 119 Ų | 119 | 80.5 Ų | 80.5 | 64% | 0.636 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -77.1 | -20.5 | -177.3 | -57.9 | -28.4 | 0 | 0 | 0 | 112.7 | S302 C303 | S302-D306 VanDerWaalsContact O-CG 3.3Å; S302-D306 PolarHBondContact O-N 3.37Å; C303-D306 PolarHBondContact O-N 2.94Å |
| 307 | N | 90.4 | Very high | 92.7 | Very high | 46 Ų | 46 | 80.9 Ų | 80.9 | 25% | 0.246 | 46% | 0.458 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.7 | 49.1 | -177.7 | -65.2 | -93.2 | 0 | 0 | 0 | 112.6 | C303 K305 G309 K310 N313 | C303-N307 WeakPolarHBondContact O-CB 3.3Å; C303-N307 PolarHBondContact O-N 3.18Å; C303-N307 PolarHBondContact O-ND2 2.84Å; K305-N307 VanDerWaalsContact C-N 3.33Å; N307-G309 PolarHBondContact O-N 2.83Å; N307-K310 HydrophobicContact CB-CB 4.49Å; N307-K310 CarbonylContact O-C 3.46Å; N307-K310 PolarHBondContact O-N 3.5Å; N307-N313 PolarHBondContact OD1-ND2 2.92Å |
| 308 | A | 89.3 | Confident | 92.7 | Very high | 84 Ų | 84 | 77.7 Ų | 77.7 | 69% | 0.694 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 125.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | K310 | A308-K310 PolarHBondContact O-N 3.33Š|
| 309 | G | 88.4 | Confident | 92.7 | Very high | 81 Ų | 81 | 78.3 Ų | 78.3 | 84% | 0.835 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.5 | -4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | N307 | N307-G309 PolarHBondContact O-N 2.83Š|
| 310 | K | 90.1 | Very high | 92.7 | Very high | 145 Ų | 145 | 77.8 Ų | 77.8 | 63% | 0.63 | 45% | 0.447 | S | S | * | . | trans | -125.8 | 47.9 | 178.9 | -62.4 | 179.8 | -176 | 175 | 0 | 111.5 | N307 A308 L312 N313 | N307-K310 HydrophobicContact CB-CB 4.49Å; N307-K310 CarbonylContact O-C 3.46Å; N307-K310 PolarHBondContact O-N 3.5Å; A308-K310 PolarHBondContact O-N 3.33Å; K310-L312 PolarHBondContact O-N 3.28Å; K310-L312 VanDerWaalsContact O-N 3.1Å; K310-N313 WeakPolarHBondContact O-CB 3.5Å; K310-N313 PolarHBondContact O-N 2.9Å; K310-N313 VanDerWaalsContact O-N 3.11Å | ||
| 311 | T | 88.1 | Confident | 92.7 | Very high | 80 Ų | 80 | 79.7 Ų | 79.7 | 49% | 0.491 | 45% | 0.454 | S | S | . | . | G | 310 helix | trans | -61.5 | -22.6 | -172.8 | 54 | 0 | 0 | 0 | 0 | 114.1 | Y304 N313 C314 | Y304-T311 HydrophobicContact CD1-CG2 3.85Å; Y304-T311 HydrophobicContact CE1-CG2 4.01Å; T311-N313 PolarHBondContact O-N 3.46Å; T311-C314 WeakPolarHBondContact O-CB 3.41Å; T311-C314 PolarHBondContact O-N 2.84Å |
| 312 | L | 89.6 | Confident | 92.6 | Very high | 143 Ų | 143 | 80.1 Ų | 80.1 | 75% | 0.749 | 46% | 0.456 | S | S | * | . | G | 310 helix | trans | -62.2 | -23.4 | 175.6 | -74.7 | 167.9 | 0 | 0 | 0 | 113.6 | K310 C314 S315 | K310-L312 PolarHBondContact O-N 3.28Å; K310-L312 VanDerWaalsContact O-N 3.1Å; L312-C314 PolarHBondContact O-N 3.48Å; L312-S315 WeakPolarHBondContact O-CB 3.48Å; L312-S315 PolarHBondContact O-N 2.96Å; L312-S315 VanDerWaalsContact O-N 3.15Å; L312-S315 PolarHBondContact O-OG 2.92Å |
| 313 | N | 91.4 | Very high | 92.5 | Very high | 105 Ų | 105 | 83.3 Ų | 83.3 | 56% | 0.561 | 46% | 0.464 | S | S | * | . | G | 310 helix | trans | -66.1 | -22.6 | 174 | -70.1 | -5.7 | 0 | 0 | 0 | 112.4 | N307 K310 T311 | N307-N313 PolarHBondContact OD1-ND2 2.92Å; K310-N313 WeakPolarHBondContact O-CB 3.5Å; K310-N313 PolarHBondContact O-N 2.9Å; K310-N313 VanDerWaalsContact O-N 3.11Å; T311-N313 PolarHBondContact O-N 3.46Å |
| 314 | C | 94.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 84.3 Ų | 84.3 | 0% | 0 | 47% | 0.471 | C | S | . | . | G | 310 helix | trans | -94.4 | 5.5 | 178 | -53.2 | 0 | 0 | 0 | 0 | 112.8 | C303 Y304 T311 L312 N316 I317 A318 | C303-C314 HydrophobicContact CB-CB 3.86Å; C303-C314 WeakPolarHBondContact CB-SG 3.29Å; C303-C314 PolarHBondContact O-SG 2.71Å; C303-C314 WeakPolarHBondContact SG-CA 3.3Å; C303-C314 WeakPolarHBondContact SG-CB 3.36Å; C303-C314 CovalentContact SG-SG 2.04Å; C303-C314 PolarHBondContact SG-SG 3.45Å; Y304-C314 HydrophobicContact CD1-CB 3.78Å; Y304-C314 HydrophobicContact CE1-CB 3.52Å; T311-C314 WeakPolarHBondContact O-CB 3.41Å; T311-C314 PolarHBondContact O-N 2.84Å; L312-C314 PolarHBondContact O-N 3.48Å; C314-N316 VanDerWaalsContact C-N 3.29Å; C314-N316 PolarHBondContact O-N 2.95Å; C314-I317 PolarHBondContact O-N 3.41Å; C314-I317 VanDerWaalsContact O-N 3.13Å; C314-A318 PolarHBondContact O-N 2.89Å |
| 315 | S | 93 | Very high | 92.3 | Very high | 58 Ų | 58 | 81.7 Ų | 81.7 | 41% | 0.406 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -55.1 | -40.3 | -176 | 52.5 | 0 | 0 | 0 | 0 | 113.3 | L312 A318 A319 | L312-S315 WeakPolarHBondContact O-CB 3.48Å; L312-S315 PolarHBondContact O-N 2.96Å; L312-S315 VanDerWaalsContact O-N 3.15Å; L312-S315 PolarHBondContact O-OG 2.92Å; S315-A318 PolarHBondContact O-N 3.44Å; S315-A319 WeakPolarHBondContact O-CB 3.32Å; S315-A319 PolarHBondContact O-N 2.78Å |
| 316 | N | 94 | Very high | 92.2 | Very high | 125 Ų | 125 | 77.7 Ų | 77.7 | 67% | 0.668 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -63.9 | -44.5 | 177.8 | -71.2 | -19 | 0 | 0 | 0 | 112.2 | C314 A318 A319 L320 | C314-N316 VanDerWaalsContact C-N 3.29Å; C314-N316 PolarHBondContact O-N 2.95Å; N316-A318 VanDerWaalsContact C-N 3.33Å; N316-A319 PolarHBondContact O-N 3.13Å; N316-L320 WeakPolarHBondContact O-CG 3.42Å; N316-L320 PolarHBondContact O-N 2.84Å |
| 317 | I | 93.3 | Very high | 92 | Very high | 44 Ų | 44 | 76 Ų | 76 | 23% | 0.226 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -67.3 | -38.5 | 178.1 | -54.2 | 175.3 | 0 | 0 | 0 | 109.9 | Q299 I300 C303 C314 L320 Y321 | Q299-I317 HydrophobicContact CB-CG2 3.97Å; I300-I317 HydrophobicContact CB-CG2 3.91Å; I300-I317 HydrophobicContact CG1-CG2 4.4Å; C303-I317 HydrophobicContact CB-CD1 3.91Å; C314-I317 PolarHBondContact O-N 3.41Å; C314-I317 VanDerWaalsContact O-N 3.13Å; I317-L320 PolarHBondContact O-N 3.47Å; I317-Y321 WeakPolarHBondContact O-CB 3.43Å; I317-Y321 PolarHBondContact O-N 2.83Å |
| 318 | A | 93.4 | Very high | 91.8 | Very high | 16 Ų | 16 | 75 Ų | 75 | 13% | 0.132 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -62.4 | -41.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | I300 C314 S315 N316 Y321 L322 | I300-A318 HydrophobicContact CD1-CB 3.67Å; I300-A318 HydrophobicContact CG1-CB 4.44Å; C314-A318 PolarHBondContact O-N 2.89Å; S315-A318 PolarHBondContact O-N 3.44Å; N316-A318 VanDerWaalsContact C-N 3.33Å; A318-Y321 PolarHBondContact O-N 3.32Å; A318-L322 WeakPolarHBondContact O-CB 3.3Å; A318-L322 WeakPolarHBondContact O-CG 3.36Å; A318-L322 PolarHBondContact O-N 2.9Å |
| 319 | A | 93.6 | Very high | 91.7 | Very high | 55 Ų | 55 | 77.1 Ų | 77.1 | 46% | 0.455 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.1 | -44.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | S315 N316 L322 Q323 | S315-A319 WeakPolarHBondContact O-CB 3.32Å; S315-A319 PolarHBondContact O-N 2.78Å; N316-A319 PolarHBondContact O-N 3.13Å; A319-L322 PolarHBondContact O-N 2.85Å; A319-Q323 WeakPolarHBondContact O-CB 3.26Å; A319-Q323 PolarHBondContact O-N 2.85Å |
| 320 | L | 94.1 | Very high | 91.5 | Very high | 91 Ų | 91 | 79.8 Ų | 79.8 | 48% | 0.476 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.1 | -42.3 | 176.5 | -70.7 | 171.8 | 0 | 0 | 0 | 112.3 | L296 N316 I317 Q323 C324 | L296-L320 HydrophobicContact CD2-CB 3.95Å; N316-L320 WeakPolarHBondContact O-CG 3.42Å; N316-L320 PolarHBondContact O-N 2.84Å; I317-L320 PolarHBondContact O-N 3.47Å; L320-Q323 PolarHBondContact O-N 3.42Å; L320-C324 WeakPolarHBondContact O-CB 3.2Å; L320-C324 PolarHBondContact O-N 3.27Å |
| 321 | Y | 94.2 | Very high | 90.9 | Very high | 61 Ų | 61 | 76.9 Ų | 76.9 | 24% | 0.239 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -61.1 | -48 | 175 | 177.5 | -106 | 0 | 0 | 0 | 111.7 | C293 L296 Q297 I317 A318 Q323 C324 V325 | C293-Y321 HydrophobicContact CB-CD2 3.94Å; C293-Y321 HydrophobicContact CB-CE2 3.84Å; L296-Y321 HydrophobicContact CB-CD2 3.87Å; Q297-Y321 HydrophobicContact CB-CD2 4.33Å; Q297-Y321 HydrophobicContact CB-CE2 3.78Å; Q297-Y321 HydrophobicContact CG-CE2 4.33Å; I317-Y321 WeakPolarHBondContact O-CB 3.43Å; I317-Y321 PolarHBondContact O-N 2.83Å; A318-Y321 PolarHBondContact O-N 3.32Å; Y321-Q323 VanDerWaalsContact C-N 3.34Å; Y321-Q323 PolarHBondContact O-N 2.86Å; Y321-C324 PolarHBondContact O-N 3.31Å; Y321-V325 HydrophobicContact CD1-CG2 4.4Å; Y321-V325 HydrophobicContact CD2-CG2 4.46Å; Y321-V325 HydrophobicContact CE1-CG2 3.96Å; Y321-V325 HydrophobicContact CE2-CG2 4.02Å; Y321-V325 WeakPolarHBondContact O-CG2 3.4Å; Y321-V325 PolarHBondContact O-N 3.5Å |
| 322 | L | 92.3 | Very high | 90.3 | Very high | 100 Ų | 100 | 80.8 Ų | 80.8 | 52% | 0.524 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61.4 | -41.4 | 177.4 | -77.8 | 167.9 | 0 | 0 | 0 | 112.2 | A318 A319 V325 N326 | A318-L322 WeakPolarHBondContact O-CB 3.3Å; A318-L322 WeakPolarHBondContact O-CG 3.36Å; A318-L322 PolarHBondContact O-N 2.9Å; A319-L322 PolarHBondContact O-N 2.85Å; L322-V325 PolarHBondContact O-N 2.98Å; L322-N326 WeakPolarHBondContact O-CB 3.26Å; L322-N326 VanDerWaalsContact O-CG 3.28Å; L322-N326 PolarHBondContact O-N 2.88Å; L322-N326 PolarHBondContact O-ND2 3.4Å |
| 323 | Q | 93.7 | Very high | 89.4 | Confident | 128 Ų | 128 | 81.2 Ų | 81.2 | 60% | 0.598 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -61.7 | -44.4 | 176 | -175 | 178 | -13 | 0 | 0 | 111.3 | A319 L320 Y321 N326 N327 | A319-Q323 WeakPolarHBondContact O-CB 3.26Å; A319-Q323 PolarHBondContact O-N 2.85Å; L320-Q323 PolarHBondContact O-N 3.42Å; Y321-Q323 VanDerWaalsContact C-N 3.34Å; Y321-Q323 PolarHBondContact O-N 2.86Å; Q323-N326 PolarHBondContact O-N 3.48Å; Q323-N327 VanDerWaalsContact O-CB 3.31Å; Q323-N327 WeakPolarHBondContact O-CB 3.25Å; Q323-N327 PolarHBondContact O-N 3.35Å |
| 324 | C | 93.6 | Very high | 88.2 | Confident | 39 Ų | 39 | 86.9 Ų | 86.9 | 26% | 0.264 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -60.9 | -46.3 | 176.1 | 178.3 | 0 | 0 | 0 | 0 | 111.8 | C293 L296 L320 Y321 N326 N327 A328 | C293-C324 HydrophobicContact CB-CB 3.91Å; C293-C324 WeakPolarHBondContact CB-SG 3.35Å; C293-C324 WeakPolarHBondContact SG-CB 3.3Å; C293-C324 CovalentContact SG-SG 2.02Å; C293-C324 PolarHBondContact SG-SG 3.5Å; L296-C324 HydrophobicContact CD1-CB 3.68Å; L320-C324 WeakPolarHBondContact O-CB 3.2Å; L320-C324 PolarHBondContact O-N 3.27Å; Y321-C324 PolarHBondContact O-N 3.31Å; C324-N326 PolarHBondContact O-N 2.88Å; C324-N327 PolarHBondContact O-N 2.82Å; C324-A328 WeakPolarHBondContact O-CB 3.44Å; C324-A328 PolarHBondContact O-N 3.49Å |
| 325 | V | 92.4 | Very high | 86.6 | Confident | 32 Ų | 32 | 92.6 Ų | 92.6 | 19% | 0.194 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -62 | -42.8 | 177.7 | 170.7 | 0 | 0 | 0 | 0 | 111.5 | C293 Y321 L322 A328 K329 | C293-V325 PolarHBondContact SG-N 2.9Å; C293-V325 VanDerWaalsContact SG-N 3.44Å; Y321-V325 HydrophobicContact CD1-CG2 4.4Å; Y321-V325 HydrophobicContact CD2-CG2 4.46Å; Y321-V325 HydrophobicContact CE1-CG2 3.96Å; Y321-V325 HydrophobicContact CE2-CG2 4.02Å; Y321-V325 WeakPolarHBondContact O-CG2 3.4Å; Y321-V325 PolarHBondContact O-N 3.5Å; L322-V325 PolarHBondContact O-N 2.98Å; V325-A328 PolarHBondContact O-N 3Å; V325-K329 HydrophobicContact CG1-CD 4.21Å; V325-K329 VanDerWaalsContact O-CG 3.3Å; V325-K329 WeakPolarHBondContact O-CG 3.25Å; V325-K329 PolarHBondContact O-N 2.96Å |
| 326 | N | 90.8 | Very high | 84.6 | Confident | 79 Ų | 79 | 93.2 Ų | 93.2 | 42% | 0.422 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68.9 | -40.6 | -179.9 | -73.5 | -26.1 | 0 | 0 | 0 | 112.2 | L322 Q323 C324 K329 Q330 | L322-N326 WeakPolarHBondContact O-CB 3.26Å; L322-N326 VanDerWaalsContact O-CG 3.28Å; L322-N326 PolarHBondContact O-N 2.88Å; L322-N326 PolarHBondContact O-ND2 3.4Å; Q323-N326 PolarHBondContact O-N 3.48Å; C324-N326 PolarHBondContact O-N 2.88Å; N326-K329 PolarHBondContact O-N 3.06Å; N326-Q330 WeakPolarHBondContact O-CG 3.38Å; N326-Q330 PolarHBondContact O-N 3.47Å |
| 327 | N | 90.8 | Very high | 82 | Confident | 84 Ų | 84 | 94.3 Ų | 94.3 | 45% | 0.449 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63 | -44.1 | 175.1 | -167.4 | -55.7 | 0 | 0 | 0 | 110.8 | Q323 C324 K329 Q330 N331 | Q323-N327 VanDerWaalsContact O-CB 3.31Å; Q323-N327 WeakPolarHBondContact O-CB 3.25Å; Q323-N327 PolarHBondContact O-N 3.35Å; C324-N327 PolarHBondContact O-N 2.82Å; N327-K329 PolarHBondContact O-N 3.46Å; N327-Q330 PolarHBondContact O-N 3.41Å; N327-N331 WeakPolarHBondContact O-CB 3.31Å; N327-N331 VanDerWaalsContact O-CG 3.28Å; N327-N331 PolarHBondContact O-N 2.73Å; N327-N331 PolarHBondContact O-ND2 2.98Å; N327-N331 PolarHBondContact OD1-ND2 2.93Å |
| 328 | A | 87.8 | Confident | 81.5 | Confident | 26 Ų | 26 | 96.8 Ų | 96.8 | 22% | 0.215 | 55% | 0.547 | C | S | . | . | H | α-helix | trans | -60.5 | -42.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113 | V292 C324 V325 N331 K332 | V292-A328 HydrophobicContact CG1-CB 3.47Å; V292-A328 VanDerWaalsContact CG1-CB 3.47Å; C324-A328 WeakPolarHBondContact O-CB 3.44Å; C324-A328 PolarHBondContact O-N 3.49Å; V325-A328 PolarHBondContact O-N 3Å; A328-N331 PolarHBondContact O-N 2.97Å; A328-K332 PolarHBondContact O-N 3.11Å; A328-K332 VanDerWaalsContact O-N 3.07Å |
| 329 | K | 86.4 | Confident | 80.9 | Confident | 127 Ų | 127 | 101.1 Ų | 101.1 | 55% | 0.552 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -60.1 | -46.5 | 174.5 | -76.6 | 174.1 | 179.7 | 178.7 | 0 | 111.6 | V325 N326 N327 K332 L333 | V325-K329 HydrophobicContact CG1-CD 4.21Å; V325-K329 VanDerWaalsContact O-CG 3.3Å; V325-K329 WeakPolarHBondContact O-CG 3.25Å; V325-K329 PolarHBondContact O-N 2.96Å; N326-K329 PolarHBondContact O-N 3.06Å; N327-K329 PolarHBondContact O-N 3.46Å; K329-K332 PolarHBondContact O-N 3.43Å; K329-L333 WeakPolarHBondContact O-CG 3.2Å; K329-L333 PolarHBondContact O-N 2.67Å |
| 330 | Q | 84.2 | Confident | 80.1 | Confident | 137 Ų | 137 | 103.6 Ų | 103.6 | 64% | 0.64 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -66 | -41.6 | 178.8 | -72.7 | -173.3 | 6.5 | 0 | 0 | 112.6 | N326 N327 K332 L333 R334 | N326-Q330 WeakPolarHBondContact O-CG 3.38Å; N326-Q330 PolarHBondContact O-N 3.47Å; N327-Q330 PolarHBondContact O-N 3.41Å; Q330-K332 VanDerWaalsContact C-N 3.35Å; Q330-K332 PolarHBondContact O-N 3Å; Q330-L333 PolarHBondContact O-N 3.47Å; Q330-R334 PolarHBondContact O-N 3.11Å |
| 331 | N | 78.1 | Confident | 79.3 | Confident | 84 Ų | 84 | 104.4 Ų | 104.4 | 45% | 0.449 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -64.9 | -38 | 178.8 | -70.3 | -17.4 | 0 | 0 | 0 | 112.2 | N327 A328 L333 R334 T335 | N327-N331 WeakPolarHBondContact O-CB 3.31Å; N327-N331 VanDerWaalsContact O-CG 3.28Å; N327-N331 PolarHBondContact O-N 2.73Å; N327-N331 PolarHBondContact O-ND2 2.98Å; N327-N331 PolarHBondContact OD1-ND2 2.93Å; A328-N331 PolarHBondContact O-N 2.97Å; N331-L333 VanDerWaalsContact C-N 3.35Å; N331-L333 PolarHBondContact O-N 2.9Å; N331-R334 PolarHBondContact O-N 3.09Å; N331-T335 PolarHBondContact O-N 3.15Å; N331-T335 PolarHBondContact O-OG1 3.2Å |
| 332 | K | 74.6 | Confident | 78.4 | Confident | 162 Ų | 162 | 107.1 Ų | 107.1 | 70% | 0.704 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -64.5 | -35 | 174.3 | -78 | -151.3 | 177.1 | -159.1 | 0 | 113.4 | A328 K329 Q330 R334 | A328-K332 PolarHBondContact O-N 3.11Å; A328-K332 VanDerWaalsContact O-N 3.07Å; K329-K332 PolarHBondContact O-N 3.43Å; Q330-K332 VanDerWaalsContact C-N 3.35Å; Q330-K332 PolarHBondContact O-N 3Å; K332-R334 PolarHBondContact O-N 3.4Å |
| 333 | L | 70.3 | Confident | 77.5 | Confident | 152 Ų | 152 | 107.5 Ų | 107.5 | 80% | 0.796 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -70.6 | -21.9 | 175.7 | -68.2 | 169.4 | 0 | 0 | 0 | 112.8 | K329 Q330 N331 | K329-L333 WeakPolarHBondContact O-CG 3.2Å; K329-L333 PolarHBondContact O-N 2.67Å; Q330-L333 PolarHBondContact O-N 3.47Å; N331-L333 VanDerWaalsContact C-N 3.35Å; N331-L333 PolarHBondContact O-N 2.9Å |
| 334 | R | 66.4 | Low | 76.3 | Confident | 225 Ų | 225 | 106.1 Ų | 106.1 | 85% | 0.849 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -96.1 | -20 | -175.1 | -157.8 | 176.3 | 167.3 | 178.4 | -3.8 | 114.1 | Q330 N331 K332 | Q330-R334 PolarHBondContact O-N 3.11Å; N331-R334 PolarHBondContact O-N 3.09Å; K332-R334 PolarHBondContact O-N 3.4Å |
| 335 | T | 60.9 | Low | 75 | Confident | 119 Ų | 119 | 111.2 Ų | 111.2 | 73% | 0.73 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -106.4 | 1.7 | -179.2 | 36.6 | 0 | 0 | 0 | 0 | 114.2 | N331 G337 | N331-T335 PolarHBondContact O-N 3.15Å; N331-T335 PolarHBondContact O-OG1 3.2Å; T335-G337 PolarHBondContact O-N 3.19Å |
| 336 | G | 52.2 | Low | 73.5 | Confident | 72 Ų | 72 | 117.8 Ų | 117.8 | 74% | 0.742 | 67% | 0.672 | S | S | * | * | trans | -85.3 | 89 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 337 | G | 40 | Very low | 72 | Confident | 147 Ų | 147 | 121.4 Ų | 121.4 | 100% | 1.515 | 70% | 0.695 | S | S | * | * | trans | -136.5 | 0 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | T335 | T335-G337 PolarHBondContact O-N 3.19Š|
Retrieved 337 of 337 residues in 303.8 ms
(Link to these results)