| 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 | 29.9 | Very low | 26.9 | Very low | 220 Ų | 220 | 142.2 Ų | 142.2 | 100% | 1.084 | 82% | 0.815 | S | S | * | * | 0 | 106 | 0 | -172.9 | 166.1 | -176.9 | 0 | 0 | 107.3 | |||||
| 2 | F | 26.6 | Very low | 26.6 | Very low | 175 Ų | 175 | 150.3 Ų | 150.3 | 77% | 0.768 | 82% | 0.823 | S | S | * | * | trans | 63.2 | 134.1 | 160.9 | -68.8 | -64.4 | 0 | 0 | 0 | 118.3 | ||||
| 3 | L | 26.7 | Very low | 26.3 | Very low | 158 Ų | 158 | 148.6 Ų | 148.6 | 83% | 0.827 | 82% | 0.819 | S | S | * | * | cis | -156.6 | 150.9 | 16.2 | -94.4 | 144.1 | 0 | 0 | 0 | 110.3 | ||||
| 4 | A | 28.8 | Very low | 26 | Very low | 88 Ų | 88 | 144.8 Ų | 144.8 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | trans | -105 | 158.6 | 162.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 5 | P | 31.3 | Very low | 25.9 | Very low | 130 Ų | 130 | 141.9 Ų | 141.9 | 84% | 0.844 | 80% | 0.796 | S | S | * | * | trans | -119.9 | 134.2 | 149.2 | 31.9 | -18.8 | 0 | 0 | 0 | 111.2 | ||||
| 6 | G | 26.2 | Very low | 26.1 | Very low | 78 Ų | 78 | 135.6 Ų | 135.6 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | trans | -80.3 | 168.1 | 176 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 7 | S | 25.7 | Very low | 26.3 | Very low | 114 Ų | 114 | 130.2 Ų | 130.2 | 80% | 0.797 | 73% | 0.734 | S | S | * | * | trans | -151.3 | 125 | 144.6 | 51.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 8 | S | 28.1 | Very low | 26.7 | Very low | 106 Ų | 106 | 128.4 Ų | 128.4 | 74% | 0.741 | 71% | 0.714 | S | S | * | * | trans | -74.4 | 132.2 | 174.1 | 60.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 9 | L | 24.6 | Very low | 27 | Very low | 154 Ų | 154 | 124.8 Ų | 124.8 | 81% | 0.806 | 71% | 0.709 | S | S | * | * | trans | -124.9 | 78.3 | 164.4 | -94.6 | 156 | 0 | 0 | 0 | 109 | R11 | L9-R11 VanDerWaalsContact C-N 3.27Å; L9-R11 PolarHBondContact O-N 3.37Å | ||
| 10 | T | 25.1 | Very low | 27.5 | Very low | 119 Ų | 119 | 123.5 Ų | 123.5 | 73% | 0.73 | 70% | 0.699 | S | S | * | * | trans | -67.3 | 90 | 153.8 | 29.7 | 0 | 0 | 0 | 0 | 107.6 | W12 | T10-W12 PolarHBondContact O-N 2.92Š| ||
| 11 | R | 22.5 | Very low | 28.1 | Very low | 222 Ų | 222 | 123.2 Ų | 123.2 | 84% | 0.838 | 69% | 0.687 | S | S | * | * | trans | -86.2 | 107.4 | 175.7 | -154.9 | 174.7 | -172.2 | -175.8 | 1.8 | 109.1 | L9 V13 | L9-R11 VanDerWaalsContact C-N 3.27Å; L9-R11 PolarHBondContact O-N 3.37Å; R11-V13 PolarHBondContact O-N 3.42Å | ||
| 12 | W | 23.4 | Very low | 28.3 | Very low | 240 Ų | 240 | 113.7 Ų | 113.7 | 91% | 0.909 | 65% | 0.645 | S | S | * | * | trans | -56 | 117.8 | 173.3 | -69.4 | 66.2 | 0 | 0 | 0 | 110.4 | T10 | T10-W12 PolarHBondContact O-N 2.92Š| ||
| 13 | V | 22.8 | Very low | 28.6 | Very low | 128 Ų | 128 | 110.2 Ų | 110.2 | 78% | 0.776 | 63% | 0.634 | S | S | * | * | trans | -99 | 106.6 | 168.1 | 177.6 | 0 | 0 | 0 | 0 | 107 | R11 V15 | R11-V13 PolarHBondContact O-N 3.42Å; V13-V15 PolarHBondContact O-N 2.92Å | ||
| 14 | S | 22.1 | Very low | 29 | Very low | 95 Ų | 95 | 107 Ų | 107 | 66% | 0.664 | 62% | 0.624 | S | S | * | * | trans | -69.4 | 112.9 | 173.6 | 58.8 | 0 | 0 | 0 | 0 | 109.6 | S16 | S14-S16 PolarHBondContact O-N 3.24Š| ||
| 15 | V | 24.8 | Very low | 29.2 | Very low | 102 Ų | 102 | 106 Ų | 106 | 62% | 0.618 | 61% | 0.606 | S | S | * | * | trans | -74.9 | 110.6 | 177.1 | 171.3 | 0 | 0 | 0 | 0 | 108.8 | V13 V17 | V13-V15 PolarHBondContact O-N 2.92Å; V15-V17 HydrophobicContact CG1-CG2 3.55Å | ||
| 16 | S | 28.5 | Very low | 29.6 | Very low | 41 Ų | 41 | 104.4 Ų | 104.4 | 29% | 0.287 | 59% | 0.586 | S | S | . | * | trans | -92.3 | 114.7 | 174.8 | -170.1 | 0 | 0 | 0 | 0 | 107.9 | S14 Q329 | S14-S16 PolarHBondContact O-N 3.24Å; S16-Q329 PolarHBondContact OG-NE2 3.2Å | ||
| 17 | V | 30.7 | Very low | 29.7 | Very low | 43 Ų | 43 | 106.8 Ų | 106.8 | 26% | 0.261 | 59% | 0.591 | S | S | . | * | trans | -132.7 | 102.6 | -178.7 | 168.1 | 0 | 0 | 0 | 0 | 108 | V15 L20 | V15-V17 HydrophobicContact CG1-CG2 3.55Å; V17-L20 HydrophobicContact CB-CD1 4.42Å; V17-L20 HydrophobicContact CG1-CD1 3.08Å; V17-L20 HydrophobicContact CG1-CD2 4.49Å; V17-L20 HydrophobicContact CG1-CG 3.49Å; V17-L20 VanDerWaalsContact CG1-CG 3.49Å | ||
| 18 | R | 33.1 | Very low | 30.2 | Very low | 99 Ų | 99 | 105.5 Ų | 105.5 | 37% | 0.374 | 58% | 0.582 | S | S | . | * | trans | -132.7 | 131.5 | 173.8 | -76.8 | -176.3 | 150.9 | -148.4 | -35.1 | 108.3 | N328 Q329 | R18-N328 PolarHBondContact NH1-O 3.27Å; R18-N328 PolarHBondContact NH2-O 2.71Å; R18-Q329 VanDerWaalsContact NH2-CA 3.31Å | ||
| 19 | G | 33 | Very low | 30.6 | Very low | 59 Ų | 59 | 103.3 Ų | 103.3 | 61% | 0.608 | 57% | 0.567 | S | S | * | * | S | Bend | trans | 70.2 | 46 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | R21 | G19-R21 PolarHBondContact O-N 3.47Š|
| 20 | L | 36.4 | Very low | 31.1 | Very low | 98 Ų | 98 | 104 Ų | 104 | 51% | 0.513 | 57% | 0.566 | S | S | . | * | trans | -70.3 | 97.5 | 173.7 | -85.4 | 171.1 | 0 | 0 | 0 | 111 | V17 G22 | V17-L20 HydrophobicContact CB-CD1 4.42Å; V17-L20 HydrophobicContact CG1-CD1 3.08Å; V17-L20 HydrophobicContact CG1-CD2 4.49Å; V17-L20 HydrophobicContact CG1-CG 3.49Å; V17-L20 VanDerWaalsContact CG1-CG 3.49Å; L20-G22 PolarHBondContact O-N 2.9Å | ||
| 21 | R | 39.8 | Very low | 32 | Very low | 119 Ų | 119 | 100.1 Ų | 100.1 | 45% | 0.449 | 54% | 0.543 | S | S | . | . | trans | -83 | 20.9 | 151.8 | -68.2 | -169 | -176.6 | -176 | 7.7 | 112.9 | G19 N216 | G19-R21 PolarHBondContact O-N 3.47Å; R21-N216 PolarHBondContact NH1-OD1 2.87Å; R21-N216 PolarHBondContact NH2-OD1 3.21Å | ||
| 22 | G | 33.1 | Very low | 33.3 | Very low | 19 Ų | 19 | 91.7 Ų | 91.7 | 20% | 0.196 | 52% | 0.518 | C | S | . | . | trans | -116.3 | 85.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | L20 S24 | L20-G22 PolarHBondContact O-N 2.9Å; G22-S24 VanDerWaalsContact C-N 3.3Å; G22-S24 PolarHBondContact O-N 3.01Å; G22-S24 VanDerWaalsContact O-N 3.1Å | ||
| 23 | L | 34 | Very low | 35 | Very low | 103 Ų | 103 | 84.3 Ų | 84.3 | 54% | 0.539 | 50% | 0.503 | S | S | . | . | trans | -77.9 | 89.2 | 162.2 | -67.2 | 162.9 | 0 | 0 | 0 | 107.8 | L25 | L23-L25 HydrophobicContact CB-CD2 3.83Å; L23-L25 HydrophobicContact CB-CG 3.68Å; L23-L25 HydrophobicContact CD1-CD2 4.02Å; L23-L25 HydrophobicContact CD2-CD2 4.1Å; L23-L25 HydrophobicContact CG-CD2 4.21Å; L23-L25 PolarHBondContact O-N 3.31Å | ||
| 24 | S | 34.2 | Very low | 37.1 | Very low | 90 Ų | 90 | 81.6 Ų | 81.6 | 63% | 0.629 | 48% | 0.484 | S | S | * | . | trans | -67.9 | 92.6 | 146.7 | 174.9 | 0 | 0 | 0 | 0 | 105.6 | G22 F26 | G22-S24 VanDerWaalsContact C-N 3.3Å; G22-S24 PolarHBondContact O-N 3.01Å; G22-S24 VanDerWaalsContact O-N 3.1Å; S24-F26 PolarHBondContact O-N 3.39Å; S24-F26 VanDerWaalsContact O-N 3.15Å | ||
| 25 | L | 34.4 | Very low | 39.4 | Very low | 66 Ų | 66 | 78.7 Ų | 78.7 | 35% | 0.346 | 46% | 0.459 | S | S | . | . | trans | -70.5 | -3.7 | -162.4 | -90.5 | 173.2 | 0 | 0 | 0 | 115.6 | L23 S281 | L23-L25 HydrophobicContact CB-CD2 3.83Å; L23-L25 HydrophobicContact CB-CG 3.68Å; L23-L25 HydrophobicContact CD1-CD2 4.02Å; L23-L25 HydrophobicContact CD2-CD2 4.1Å; L23-L25 HydrophobicContact CG-CD2 4.21Å; L23-L25 PolarHBondContact O-N 3.31Å; L25-S281 VanDerWaalsContact CD2-OG 3.24Å; L25-S281 WeakPolarHBondContact CD2-OG 3.45Å | ||
| 26 | F | 40.2 | Very low | 41.6 | Very low | 97 Ų | 97 | 75.4 Ų | 75.4 | 43% | 0.425 | 44% | 0.44 | S | S | . | . | trans | -142.6 | 105.1 | -167.9 | -55 | -70.8 | 0 | 0 | 0 | 112.7 | S24 N94 | S24-F26 PolarHBondContact O-N 3.39Å; S24-F26 VanDerWaalsContact O-N 3.15Å; F26-N94 WeakPolarHBondContact CE1-ND2 3.17Å; F26-N94 HydrophobicContact CE2-CB 4.01Å; F26-N94 WeakPolarHBondContact CE2-ND2 3.41Å; F26-N94 HydrophobicContact CZ-CB 4.35Å; F26-N94 WeakPolarHBondContact CZ-ND2 3.41Å | ||
| 27 | S | 26.9 | Very low | 43.9 | Very low | 128 Ų | 128 | 79.9 Ų | 79.9 | 90% | 0.895 | 46% | 0.455 | S | S | * | . | trans | -129.9 | 132.1 | 158.1 | -180 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 28 | S | 36.8 | Very low | 46.2 | Very low | 88 Ų | 88 | 79 Ų | 79 | 62% | 0.615 | 45% | 0.449 | S | S | * | . | trans | -87.4 | 156.4 | -159 | 57.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 29 | S | 36.7 | Very low | 48.3 | Very low | 60 Ų | 60 | 74.8 Ų | 74.8 | 42% | 0.42 | 44% | 0.435 | S | S | . | . | S | Bend | -162.9 | 155 | 80.1 | 43.1 | 0 | 0 | 0 | 0 | 112.9 | R290 | S29-R290 PolarHBondContact OG-NH2 2.77Š| |
| 30 | E | 33.8 | Very low | 50.3 | Low | 169 Ų | 169 | 74.5 Ų | 74.5 | 79% | 0.79 | 42% | 0.423 | S | S | * | . | S | Bend | trans | 81 | -60.5 | -177.2 | -72.6 | -174.5 | 165.7 | 0 | 0 | 118.9 | S32 S33 | E30-S32 PolarHBondContact O-N 3.44Å; E30-S33 PolarHBondContact O-N 3.48Å; E30-S33 PolarHBondContact O-OG 2.81Å; E30-S33 VanDerWaalsContact O-OG 3.04Å |
| 31 | S | 44.3 | Very low | 52.4 | Low | 37 Ų | 37 | 73 Ų | 73 | 26% | 0.259 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -70.2 | -19.4 | 178.7 | 92 | 0 | 0 | 0 | 0 | 113.5 | S33 W35 K288 | S31-S33 VanDerWaalsContact C-N 3.32Å; S31-S33 PolarHBondContact O-N 3.16Å; S31-W35 PolarHBondContact O-N 2.62Å; S31-K288 PolarHBondContact OG-NZ 3.34Å |
| 32 | S | 51.2 | Low | 54.4 | Low | 45 Ų | 45 | 67.4 Ų | 67.4 | 32% | 0.315 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65.1 | -35.9 | 179.6 | 64.4 | 0 | 0 | 0 | 0 | 111.4 | E30 N34 W35 S36 | E30-S32 PolarHBondContact O-N 3.44Å; S32-N34 PolarHBondContact O-N 3.15Å; S32-W35 PolarHBondContact O-N 3.44Å; S32-S36 WeakPolarHBondContact O-CB 3.48Å; S32-S36 PolarHBondContact O-N 3.33Å; S32-S36 PolarHBondContact O-OG 3.12Å |
| 33 | S | 57.5 | Low | 56.6 | Low | 84 Ų | 84 | 69.2 Ų | 69.2 | 59% | 0.587 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -67.7 | -36.2 | -177 | 65.5 | 0 | 0 | 0 | 0 | 112.8 | E30 S31 K37 | E30-S33 PolarHBondContact O-N 3.48Å; E30-S33 PolarHBondContact O-OG 2.81Å; E30-S33 VanDerWaalsContact O-OG 3.04Å; S31-S33 VanDerWaalsContact C-N 3.32Å; S31-S33 PolarHBondContact O-N 3.16Å; S33-K37 WeakPolarHBondContact O-CB 3.43Å; S33-K37 PolarHBondContact O-N 3.2Å |
| 34 | N | 67.5 | Low | 58.9 | Low | 71 Ų | 71 | 71 Ų | 71 | 38% | 0.38 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -71.8 | -46.5 | 178.5 | -161.9 | -5.5 | 0 | 0 | 0 | 111.1 | S32 K37 V38 | S32-N34 PolarHBondContact O-N 3.15Å; N34-K37 PolarHBondContact O-N 3.19Å; N34-V38 WeakPolarHBondContact O-CG2 3.26Å; N34-V38 PolarHBondContact O-N 2.78Å |
| 35 | W | 71.1 | Confident | 61.2 | Low | 35 Ų | 35 | 68.2 Ų | 68.2 | 13% | 0.133 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -61.1 | -48.4 | 177.1 | -177.9 | -96.3 | 0 | 0 | 0 | 112.3 | S31 S32 K37 V38 V39 N94 M97 I378 A381 V382 | S31-W35 PolarHBondContact O-N 2.62Å; S32-W35 PolarHBondContact O-N 3.44Å; W35-K37 VanDerWaalsContact C-N 3.26Å; W35-K37 PolarHBondContact O-N 3.44Å; W35-V38 PolarHBondContact O-N 2.96Å; W35-V39 HydrophobicContact CD2-CG2 4.43Å; W35-V39 HydrophobicContact CZ2-CG2 4.18Å; W35-V39 WeakPolarHBondContact O-CG2 3.47Å; W35-V39 PolarHBondContact O-N 2.97Å; W35-N94 PolarHBondContact NE1-OD1 3.46Å; W35-M97 HydrophobicContact CH2-SD 4.47Å; W35-M97 HydrophobicContact CZ2-CE 3.76Å; W35-M97 HydrophobicContact CZ2-CG 4.42Å; W35-M97 HydrophobicContact CZ2-SD 3.99Å; W35-I378 HydrophobicContact CH2-CG2 3.71Å; W35-I378 HydrophobicContact CZ3-CG2 4.14Å; W35-A381 HydrophobicContact CE3-CB 3.71Å; W35-A381 HydrophobicContact CZ3-CB 3.87Å; W35-V382 HydrophobicContact CH2-CG2 3.99Å; W35-V382 HydrophobicContact CZ3-CG2 3.81Å |
| 36 | S | 70.2 | Confident | 63.5 | Low | 32 Ų | 32 | 65.1 Ų | 65.1 | 22% | 0.224 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -57.4 | -40.1 | 177 | -57.7 | 0 | 0 | 0 | 0 | 112.2 | S32 S40 N93 | S32-S36 WeakPolarHBondContact O-CB 3.48Å; S32-S36 PolarHBondContact O-N 3.33Å; S32-S36 PolarHBondContact O-OG 3.12Å; S36-S40 VanDerWaalsContact O-CB 3.29Å; S36-S40 WeakPolarHBondContact O-CB 3.43Å; S36-S40 PolarHBondContact O-N 3.44Å; S36-N93 VanDerWaalsContact CB-OD1 3.31Å; S36-N93 WeakPolarHBondContact CB-OD1 3.44Å; S36-N93 PolarHBondContact OG-OD1 3.03Å |
| 37 | K | 76.8 | Confident | 64.6 | Low | 136 Ų | 136 | 62.3 Ų | 62.3 | 59% | 0.591 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -65.3 | -48 | 177 | -175.4 | 179.7 | 178.4 | -176.8 | 0 | 111.5 | S33 N34 W35 V39 S40 D41 | S33-K37 WeakPolarHBondContact O-CB 3.43Å; S33-K37 PolarHBondContact O-N 3.2Å; N34-K37 PolarHBondContact O-N 3.19Å; W35-K37 VanDerWaalsContact C-N 3.26Å; W35-K37 PolarHBondContact O-N 3.44Å; K37-V39 VanDerWaalsContact C-N 3.31Å; K37-V39 PolarHBondContact O-N 3.4Å; K37-S40 PolarHBondContact O-N 2.93Å; K37-D41 WeakPolarHBondContact O-CB 3.5Å; K37-D41 PolarHBondContact O-N 2.85Å |
| 38 | V | 80.3 | Confident | 66.1 | Low | 23 Ų | 23 | 63 Ų | 63 | 14% | 0.139 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -57.9 | -44.9 | 178.4 | 170.6 | 0 | 0 | 0 | 0 | 111 | N34 W35 A42 N377 I378 | N34-V38 WeakPolarHBondContact O-CG2 3.26Å; N34-V38 PolarHBondContact O-N 2.78Å; W35-V38 PolarHBondContact O-N 2.96Å; V38-A42 VanDerWaalsContact O-CB 3.3Å; V38-A42 WeakPolarHBondContact O-CB 3.45Å; V38-A42 PolarHBondContact O-N 3.46Å; V38-N377 HydrophobicContact CG1-CB 4.25Å; V38-I378 HydrophobicContact CG1-CB 4.4Å; V38-I378 HydrophobicContact CG1-CG1 3.54Å |
| 39 | V | 76 | Confident | 66.8 | Low | 12 Ų | 12 | 62 Ų | 62 | 7% | 0.073 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65.2 | -47.4 | 177.5 | 174.2 | 0 | 0 | 0 | 0 | 111.2 | W35 K37 D41 A42 E43 L100 | W35-V39 HydrophobicContact CD2-CG2 4.43Å; W35-V39 HydrophobicContact CZ2-CG2 4.18Å; W35-V39 WeakPolarHBondContact O-CG2 3.47Å; W35-V39 PolarHBondContact O-N 2.97Å; K37-V39 VanDerWaalsContact C-N 3.31Å; K37-V39 PolarHBondContact O-N 3.4Å; V39-D41 VanDerWaalsContact C-N 3.34Å; V39-D41 PolarHBondContact O-N 2.81Å; V39-A42 WeakPolarHBondContact O-CB 3.41Å; V39-A42 PolarHBondContact O-N 2.96Å; V39-A42 VanDerWaalsContact O-N 3.13Å; V39-E43 WeakPolarHBondContact O-CG 3.29Å; V39-E43 PolarHBondContact O-N 3.18Å; V39-L100 HydrophobicContact CG1-CD2 3.92Å |
| 40 | S | 76.1 | Confident | 67.5 | Low | 53 Ų | 53 | 59.2 Ų | 59.2 | 37% | 0.371 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.6 | -38.4 | -179.7 | -176.7 | 0 | 0 | 0 | 0 | 113.1 | S36 K37 A42 | S36-S40 VanDerWaalsContact O-CB 3.29Å; S36-S40 WeakPolarHBondContact O-CB 3.43Å; S36-S40 PolarHBondContact O-N 3.44Å; K37-S40 PolarHBondContact O-N 2.93Å; S40-A42 VanDerWaalsContact C-N 3.34Å |
| 41 | D | 79.8 | Confident | 68.1 | Low | 67 Ų | 67 | 53.7 Ų | 53.7 | 36% | 0.358 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -69.4 | -36 | 175.4 | -71.3 | -24.4 | 0 | 0 | 0 | 111.2 | K37 V39 K44 | K37-D41 WeakPolarHBondContact O-CB 3.5Å; K37-D41 PolarHBondContact O-N 2.85Å; V39-D41 VanDerWaalsContact C-N 3.34Å; V39-D41 PolarHBondContact O-N 2.81Å; D41-K44 PolarHBondContact O-N 3.14Å; D41-K44 IonicContact OD1-NZ 3.53Å; D41-K44 PolarHBondContact OD1-NZ 3.35Å |
| 42 | A | 81.3 | Confident | 68.3 | Low | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.008 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -68.5 | -34.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | V38 V39 S40 K44 I45 L100 L104 A374 I378 | V38-A42 VanDerWaalsContact O-CB 3.3Å; V38-A42 WeakPolarHBondContact O-CB 3.45Å; V38-A42 PolarHBondContact O-N 3.46Å; V39-A42 WeakPolarHBondContact O-CB 3.41Å; V39-A42 PolarHBondContact O-N 2.96Å; V39-A42 VanDerWaalsContact O-N 3.13Å; S40-A42 VanDerWaalsContact C-N 3.34Å; A42-K44 VanDerWaalsContact C-N 3.28Å; A42-K44 PolarHBondContact O-N 3.31Å; A42-I45 WeakPolarHBondContact O-CB 3.23Å; A42-I45 PolarHBondContact O-N 2.81Å; A42-L100 HydrophobicContact CB-CD2 4.2Å; A42-L104 HydrophobicContact CB-CD1 3.85Å; A42-L104 HydrophobicContact CB-CD2 4.38Å; A42-A374 HydrophobicContact CB-CB 4.1Å; A42-I378 HydrophobicContact CB-CD1 4.16Å |
| 43 | E | 79.8 | Confident | 68.3 | Low | 56 Ų | 56 | 56.3 Ų | 56.3 | 26% | 0.262 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.7 | -34.6 | 174.5 | -72.9 | -179.3 | 147.7 | 0 | 0 | 112.6 | V39 I45 V46 T50 L100 | V39-E43 WeakPolarHBondContact O-CG 3.29Å; V39-E43 PolarHBondContact O-N 3.18Å; E43-I45 VanDerWaalsContact C-N 3.26Å; E43-I45 PolarHBondContact O-N 2.7Å; E43-V46 VanDerWaalsContact O-CG2 3.24Å; E43-V46 WeakPolarHBondContact O-CG2 3.45Å; E43-T50 PolarHBondContact OE1-OG1 3.42Å; E43-L100 HydrophobicContact CG-CD1 4.08Å; E43-L100 HydrophobicContact CG-CD2 3.82Å |
| 44 | K | 81.6 | Confident | 67.9 | Low | 141 Ų | 141 | 53.4 Ų | 53.4 | 61% | 0.613 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -64.8 | -31.7 | 177.5 | -64.2 | 167.9 | -165.6 | 159.4 | 0 | 112.2 | D41 A42 V46 G47 | D41-K44 PolarHBondContact O-N 3.14Å; D41-K44 IonicContact OD1-NZ 3.53Å; D41-K44 PolarHBondContact OD1-NZ 3.35Å; A42-K44 VanDerWaalsContact C-N 3.28Å; A42-K44 PolarHBondContact O-N 3.31Å; K44-V46 PolarHBondContact O-N 3.29Å; K44-G47 PolarHBondContact O-N 3.03Å |
| 45 | I | 84 | Confident | 66.9 | Low | 32 Ų | 32 | 54.1 Ų | 54.1 | 16% | 0.164 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -70.1 | -31.7 | -174.6 | -66 | 169.5 | 0 | 0 | 0 | 112 | A42 E43 G47 L104 K107 E370 A371 A374 | A42-I45 WeakPolarHBondContact O-CB 3.23Å; A42-I45 PolarHBondContact O-N 2.81Å; E43-I45 VanDerWaalsContact C-N 3.26Å; E43-I45 PolarHBondContact O-N 2.7Å; I45-G47 PolarHBondContact O-N 3.37Å; I45-L104 HydrophobicContact CB-CD2 4.23Å; I45-L104 HydrophobicContact CG2-CD2 4.12Å; I45-K107 HydrophobicContact CG2-CD 3.86Å; I45-K107 WeakPolarHBondContact O-CD 3.45Å; I45-K107 WeakPolarHBondContact O-CE 3.19Å; I45-K107 PolarHBondContact O-NZ 3.46Å; I45-E370 HydrophobicContact CD1-CB 4.3Å; I45-E370 HydrophobicContact CG2-CB 4.4Å; I45-A371 HydrophobicContact CG2-CB 4.02Å; I45-A374 HydrophobicContact CD1-CB 3.62Å |
| 46 | V | 81.4 | Confident | 66.2 | Low | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 2.3 | -177.3 | -62.6 | 0 | 0 | 0 | 0 | 113.5 | E43 K44 Y48 L100 L103 L104 I127 R132 | E43-V46 VanDerWaalsContact O-CG2 3.24Å; E43-V46 WeakPolarHBondContact O-CG2 3.45Å; K44-V46 PolarHBondContact O-N 3.29Å; V46-Y48 PolarHBondContact O-N 2.91Å; V46-Y48 VanDerWaalsContact O-N 3.17Å; V46-L100 HydrophobicContact CG1-CD1 4.3Å; V46-L100 HydrophobicContact CG2-CD1 3.98Å; V46-L103 HydrophobicContact CB-CB 4.17Å; V46-L103 HydrophobicContact CB-CD1 4.45Å; V46-L103 HydrophobicContact CG1-CB 3.71Å; V46-L103 HydrophobicContact CG2-CD1 4.26Å; V46-L104 HydrophobicContact CG1-CD2 3.75Å; V46-L104 HydrophobicContact CG1-CG 3.95Å; V46-I127 HydrophobicContact CB-CD1 4.12Å; V46-I127 HydrophobicContact CG1-CD1 4.19Å; V46-R132 PolarHBondContact O-NH2 3.36Å |
| 47 | G | 62.9 | Low | 65.3 | Low | 39 Ų | 39 | 60.6 Ų | 60.6 | 40% | 0.402 | 31% | 0.307 | S | S | . | . | S | Bend | trans | 75.2 | -2.3 | 166.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | K44 I45 | K44-G47 PolarHBondContact O-N 3.03Å; I45-G47 PolarHBondContact O-N 3.37Å |
| 48 | Y | 58.4 | Low | 64 | Low | 142 Ų | 142 | 56.9 Ų | 56.9 | 56% | 0.557 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -152.7 | 140.2 | 170.3 | -128.3 | -98.1 | 0 | 0 | 0 | 108.6 | V46 T50 F52 | V46-Y48 PolarHBondContact O-N 2.91Å; V46-Y48 VanDerWaalsContact O-N 3.17Å; Y48-T50 PolarHBondContact O-N 3.15Å; Y48-F52 HydrophobicContact CD1-CB 4.26Å; Y48-F52 HydrophobicContact CE1-CB 4.37Å; Y48-F52 HydrophobicContact CE1-CD2 4.23Å; Y48-F52 HydrophobicContact CE1-CG 4.3Å |
| 49 | P | 51.7 | Low | 62.6 | Low | 66 Ų | 66 | 61.5 Ų | 61.5 | 43% | 0.429 | 32% | 0.316 | S | S | . | . | trans | -69.7 | 123.9 | 177.7 | 28.6 | -32.5 | 0 | 0 | 0 | 109.2 | S51 F52 | P49-S51 WeakPolarHBondContact CB-OG 3.4Å; P49-S51 PolarHBondContact O-N 3.47Å; P49-F52 PolarHBondContact O-N 3.37Å | ||
| 50 | T | 51.6 | Low | 61.9 | Low | 3 Ų | 3 | 62.4 Ų | 62.4 | 2% | 0.018 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -23.3 | -39.6 | 148.7 | 28.6 | 0 | 0 | 0 | 0 | 112.9 | E43 Y48 F52 M53 Q96 L100 L103 | E43-T50 PolarHBondContact OE1-OG1 3.42Å; Y48-T50 PolarHBondContact O-N 3.15Å; T50-F52 PolarHBondContact O-N 2.94Å; T50-M53 WeakPolarHBondContact O-CB 3.29Å; T50-M53 PolarHBondContact O-N 3.3Å; T50-Q96 HydrophobicContact CG2-CB 3.87Å; T50-Q96 VanDerWaalsContact CG2-OE1 3.23Å; T50-Q96 PolarHBondContact O-NE2 3.3Å; T50-Q96 PolarHBondContact O-OE1 2.96Å; T50-L100 HydrophobicContact CG2-CB 4.15Å; T50-L103 HydrophobicContact CG2-CD1 4.5Å |
| 51 | S | 46.4 | Very low | 61.1 | Low | 52 Ų | 52 | 65.8 Ų | 65.8 | 36% | 0.364 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -46.5 | -29.5 | 172.9 | -36.3 | 0 | 0 | 0 | 0 | 116.3 | P49 M53 S54 L55 | P49-S51 WeakPolarHBondContact CB-OG 3.4Å; P49-S51 PolarHBondContact O-N 3.47Å; S51-M53 VanDerWaalsContact C-N 3.28Å; S51-M53 PolarHBondContact O-N 3.06Å; S51-S54 PolarHBondContact O-N 3.31Å; S51-L55 WeakPolarHBondContact O-CB 3.45Å; S51-L55 PolarHBondContact O-N 2.88Å |
| 52 | F | 49.1 | Very low | 60.1 | Low | 111 Ų | 111 | 67 Ų | 67 | 49% | 0.487 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -67.3 | -29.7 | 177.2 | -161.7 | -97 | 0 | 0 | 0 | 112.4 | Y48 P49 T50 L55 R56 | Y48-F52 HydrophobicContact CD1-CB 4.26Å; Y48-F52 HydrophobicContact CE1-CB 4.37Å; Y48-F52 HydrophobicContact CE1-CD2 4.23Å; Y48-F52 HydrophobicContact CE1-CG 4.3Å; P49-F52 PolarHBondContact O-N 3.37Å; T50-F52 PolarHBondContact O-N 2.94Å; F52-L55 PolarHBondContact O-N 3.32Å; F52-R56 WeakPolarHBondContact O-CB 3.5Å; F52-R56 PolarHBondContact O-N 3.08Å |
| 53 | M | 50.8 | Low | 59.2 | Low | 26 Ų | 26 | 68 Ų | 68 | 13% | 0.128 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -73.5 | -41.5 | 175.7 | -50 | 171.8 | 18.7 | 0 | 0 | 111.5 | T50 S51 L55 R56 C57 E136 E139 | T50-M53 WeakPolarHBondContact O-CB 3.29Å; T50-M53 PolarHBondContact O-N 3.3Å; S51-M53 VanDerWaalsContact C-N 3.28Å; S51-M53 PolarHBondContact O-N 3.06Å; M53-L55 VanDerWaalsContact C-N 3.28Å; M53-L55 PolarHBondContact O-N 3.44Å; M53-R56 PolarHBondContact O-N 2.82Å; M53-C57 WeakPolarHBondContact O-CB 3.18Å; M53-C57 PolarHBondContact O-N 2.84Å; M53-E136 HydrophobicContact CB-CG 4.18Å; M53-E136 VanDerWaalsContact CE-CA 3.41Å; M53-E136 HydrophobicContact CE-CB 4.07Å; M53-E136 HydrophobicContact CE-CG 3.64Å; M53-E136 HydrophobicContact CG-CG 3.45Å; M53-E136 VanDerWaalsContact CG-CG 3.45Å; M53-E136 HydrophobicContact SD-CB 4.33Å; M53-E136 HydrophobicContact SD-CG 3.32Å; M53-E136 WeakPolarHBondContact SD-CG 3.31Å; M53-E139 HydrophobicContact CE-CB 3.9Å |
| 54 | S | 50 | Low | 58.4 | Low | 24 Ų | 24 | 67.7 Ų | 67.7 | 17% | 0.168 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.1 | -40.9 | 172.3 | -77.2 | 0 | 0 | 0 | 0 | 109.9 | S51 L58 Q96 | S51-S54 PolarHBondContact O-N 3.31Å; S54-L58 WeakPolarHBondContact O-CB 3.47Å; S54-L58 VanDerWaalsContact O-CD1 3.28Å; S54-L58 WeakPolarHBondContact O-CD1 3.43Å; S54-L58 WeakPolarHBondContact O-CG 3.48Å; S54-L58 PolarHBondContact O-N 3.36Å; S54-Q96 PolarHBondContact OG-NE2 2.99Å |
| 55 | L | 46 | Very low | 57.5 | Low | 85 Ų | 85 | 64.8 Ų | 64.8 | 45% | 0.445 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65 | -49.6 | 174.7 | -92.5 | 149.9 | 0 | 0 | 0 | 112.4 | S51 F52 M53 C57 L58 L59 | S51-L55 WeakPolarHBondContact O-CB 3.45Å; S51-L55 PolarHBondContact O-N 2.88Å; F52-L55 PolarHBondContact O-N 3.32Å; M53-L55 VanDerWaalsContact C-N 3.28Å; M53-L55 PolarHBondContact O-N 3.44Å; L55-C57 VanDerWaalsContact C-N 3.3Å; L55-C57 PolarHBondContact O-N 3.23Å; L55-L58 PolarHBondContact O-N 3.27Å; L55-L59 HydrophobicContact CB-CD1 4.26Å; L55-L59 HydrophobicContact CD2-CD1 3.59Å; L55-L59 HydrophobicContact CD2-CG 4.14Å; L55-L59 WeakPolarHBondContact O-CA 3.46Å; L55-L59 WeakPolarHBondContact O-CB 3.36Å; L55-L59 WeakPolarHBondContact O-CD1 3.46Å; L55-L59 WeakPolarHBondContact O-CG 3.13Å; L55-L59 PolarHBondContact O-N 3.34Å |
| 56 | R | 55.6 | Low | 56.7 | Low | 173 Ų | 173 | 64.6 Ų | 64.6 | 65% | 0.653 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -63.4 | -37.6 | 179.6 | -164.7 | 178.9 | 112.7 | 155.3 | 2.2 | 112.1 | F52 M53 S60 | F52-R56 WeakPolarHBondContact O-CB 3.5Å; F52-R56 PolarHBondContact O-N 3.08Å; M53-R56 PolarHBondContact O-N 2.82Å; R56-S60 PolarHBondContact O-N 2.81Å |
| 57 | C | 51.8 | Low | 56 | Low | 31 Ų | 31 | 66.9 Ų | 66.9 | 21% | 0.209 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -66.9 | -51.4 | 173.6 | -165.6 | 0 | 0 | 0 | 0 | 110.9 | M53 L55 L59 S60 L63 | M53-C57 WeakPolarHBondContact O-CB 3.18Å; M53-C57 PolarHBondContact O-N 2.84Å; L55-C57 VanDerWaalsContact C-N 3.3Å; L55-C57 PolarHBondContact O-N 3.23Å; C57-L59 VanDerWaalsContact C-N 3.32Å; C57-L59 PolarHBondContact O-N 2.67Å; C57-S60 PolarHBondContact O-N 3.33Å; C57-S60 PolarHBondContact O-OG 2.83Å; C57-L63 WeakPolarHBondContact O-CB 3.45Å |
| 58 | L | 50.6 | Low | 56.3 | Low | 58 Ų | 58 | 69.9 Ų | 69.9 | 30% | 0.304 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.9 | -31.7 | 179.3 | -75.7 | 165.2 | 0 | 0 | 0 | 114 | S54 L55 L63 F87 | S54-L58 WeakPolarHBondContact O-CB 3.47Å; S54-L58 VanDerWaalsContact O-CD1 3.28Å; S54-L58 WeakPolarHBondContact O-CD1 3.43Å; S54-L58 WeakPolarHBondContact O-CG 3.48Å; S54-L58 PolarHBondContact O-N 3.36Å; L55-L58 PolarHBondContact O-N 3.27Å; L58-L63 HydrophobicContact CD2-CD2 3.98Å; L58-L63 HydrophobicContact CG-CD2 4.39Å; L58-F87 HydrophobicContact CD2-CB 4.15Å |
| 59 | L | 48.9 | Very low | 56.9 | Low | 120 Ų | 120 | 66.5 Ų | 66.5 | 63% | 0.628 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | -0.5 | -178.7 | -65.1 | 172.4 | 0 | 0 | 0 | 113 | L55 C57 | L55-L59 HydrophobicContact CB-CD1 4.26Å; L55-L59 HydrophobicContact CD2-CD1 3.59Å; L55-L59 HydrophobicContact CD2-CG 4.14Å; L55-L59 WeakPolarHBondContact O-CA 3.46Å; L55-L59 WeakPolarHBondContact O-CB 3.36Å; L55-L59 WeakPolarHBondContact O-CD1 3.46Å; L55-L59 WeakPolarHBondContact O-CG 3.13Å; L55-L59 PolarHBondContact O-N 3.34Å; C57-L59 VanDerWaalsContact C-N 3.32Å; C57-L59 PolarHBondContact O-N 2.67Å |
| 60 | S | 63.1 | Low | 58 | Low | 30 Ų | 30 | 64 Ų | 64 | 21% | 0.21 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -64.5 | 139.7 | 167.1 | 65.9 | 0 | 0 | 0 | 0 | 109.2 | R56 C57 E62 L63 S64 | R56-S60 PolarHBondContact O-N 2.81Å; C57-S60 PolarHBondContact O-N 3.33Å; C57-S60 PolarHBondContact O-OG 2.83Å; S60-E62 WeakPolarHBondContact CB-OE2 3.48Å; S60-E62 PolarHBondContact O-N 3.43Å; S60-E62 VanDerWaalsContact O-N 3.13Å; S60-L63 PolarHBondContact O-N 3.48Å; S60-L63 WeakPolarHBondContact OG-CB 3.35Å; S60-L63 PolarHBondContact OG-N 3.04Å; S60-S64 PolarHBondContact O-N 2.94Å; S60-S64 PolarHBondContact O-OG 3.11Å; S60-S64 VanDerWaalsContact O-OG 3.07Å |
| 61 | D | 58.8 | Low | 59.2 | Low | 124 Ų | 124 | 72.7 Ų | 72.7 | 66% | 0.663 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -57.1 | -30.1 | 179.2 | -70.8 | -32.2 | 0 | 0 | 0 | 110.5 | S64 N65 | D61-S64 WeakPolarHBondContact O-CB 3.3Å; D61-N65 VanDerWaalsContact O-CG 3.26Å; D61-N65 PolarHBondContact O-N 2.97Å; D61-N65 PolarHBondContact O-ND2 2.97Å; D61-N65 VanDerWaalsContact O-ND2 3.1Å |
| 62 | E | 58.3 | Low | 60.9 | Low | 92 Ų | 92 | 76.5 Ų | 76.5 | 43% | 0.43 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -73.7 | -43.3 | 179.6 | -59.9 | 78.6 | -170 | 0 | 0 | 113 | S60 S64 N65 V66 F180 | S60-E62 WeakPolarHBondContact CB-OE2 3.48Å; S60-E62 PolarHBondContact O-N 3.43Å; S60-E62 VanDerWaalsContact O-N 3.13Å; E62-S64 VanDerWaalsContact C-N 3.27Å; E62-S64 PolarHBondContact O-N 2.86Å; E62-N65 WeakPolarHBondContact O-CB 3.44Å; E62-N65 PolarHBondContact O-N 3.4Å; E62-V66 PolarHBondContact O-N 3.09Å; E62-F180 HydrophobicContact CB-CE1 3.75Å; E62-F180 HydrophobicContact CB-CE2 3.9Å; E62-F180 HydrophobicContact CB-CZ 3.26Å; E62-F180 HydrophobicContact CG-CE2 3.91Å; E62-F180 HydrophobicContact CG-CZ 3.61Å |
| 63 | L | 62 | Low | 62.4 | Low | 24 Ų | 24 | 71.2 Ų | 71.2 | 13% | 0.126 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -71.2 | -28.3 | 174.5 | -130.5 | 92.1 | 0 | 0 | 0 | 111.7 | C57 L58 S60 N65 V66 A67 L181 | C57-L63 WeakPolarHBondContact O-CB 3.45Å; L58-L63 HydrophobicContact CD2-CD2 3.98Å; L58-L63 HydrophobicContact CG-CD2 4.39Å; S60-L63 PolarHBondContact O-N 3.48Å; S60-L63 WeakPolarHBondContact OG-CB 3.35Å; S60-L63 PolarHBondContact OG-N 3.04Å; L63-N65 VanDerWaalsContact C-N 3.32Å; L63-V66 PolarHBondContact O-N 3.29Å; L63-A67 VanDerWaalsContact O-CB 3.26Å; L63-A67 WeakPolarHBondContact O-CB 3.32Å; L63-A67 PolarHBondContact O-N 3.48Å; L63-L181 HydrophobicContact CD1-CD2 3.91Å |
| 64 | S | 63.6 | Low | 64 | Low | 49 Ų | 49 | 75.1 Ų | 75.1 | 34% | 0.343 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.1 | -41.1 | 170 | -62.1 | 0 | 0 | 0 | 0 | 111 | S60 D61 E62 A67 M68 | S60-S64 PolarHBondContact O-N 2.94Å; S60-S64 PolarHBondContact O-OG 3.11Å; S60-S64 VanDerWaalsContact O-OG 3.07Å; D61-S64 WeakPolarHBondContact O-CB 3.3Å; E62-S64 VanDerWaalsContact C-N 3.27Å; E62-S64 PolarHBondContact O-N 2.86Å; S64-A67 PolarHBondContact O-N 2.96Å; S64-M68 WeakPolarHBondContact O-CG 3.48Å; S64-M68 PolarHBondContact O-N 3.49Å |
| 65 | N | 62.9 | Low | 65.4 | Low | 79 Ų | 79 | 77.6 Ų | 77.6 | 42% | 0.422 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.3 | -43.4 | 172.6 | -69.7 | -35.6 | 0 | 0 | 0 | 112.3 | D61 E62 L63 M68 H69 | D61-N65 VanDerWaalsContact O-CG 3.26Å; D61-N65 PolarHBondContact O-N 2.97Å; D61-N65 PolarHBondContact O-ND2 2.97Å; D61-N65 VanDerWaalsContact O-ND2 3.1Å; E62-N65 WeakPolarHBondContact O-CB 3.44Å; E62-N65 PolarHBondContact O-N 3.4Å; L63-N65 VanDerWaalsContact C-N 3.32Å; N65-M68 PolarHBondContact O-N 3.35Å; N65-M68 WeakPolarHBondContact OD1-CE 3.27Å; N65-H69 PolarHBondContact O-CD2 3.45Å; N65-H69 PolarHBondContact O-N 2.96Å; N65-H69 VanDerWaalsContact O-N 3.1Å |
| 66 | V | 66.2 | Low | 67.3 | Low | 29 Ų | 29 | 74.3 Ų | 74.3 | 18% | 0.176 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -59.3 | -48.1 | 172.6 | 172 | 0 | 0 | 0 | 0 | 110.9 | E62 L63 M68 H69 V70 M173 S177 | E62-V66 PolarHBondContact O-N 3.09Å; L63-V66 PolarHBondContact O-N 3.29Å; V66-M68 VanDerWaalsContact C-N 3.33Å; V66-M68 PolarHBondContact O-N 3.05Å; V66-H69 PolarHBondContact O-N 3.47Å; V66-H69 VanDerWaalsContact O-N 3.1Å; V66-V70 HydrophobicContact CG1-CG2 4.19Å; V66-V70 VanDerWaalsContact O-CG2 3.3Å; V66-V70 WeakPolarHBondContact O-CG2 3.46Å; V66-V70 PolarHBondContact O-N 3.32Å; V66-M173 HydrophobicContact CG2-CE 4.49Å; V66-S177 WeakPolarHBondContact CG1-OG 3.44Å; V66-S177 VanDerWaalsContact CG2-OG 3.27Å; V66-S177 WeakPolarHBondContact CG2-OG 3.4Å |
| 67 | A | 67.8 | Low | 68.7 | Low | 48 Ų | 48 | 71.5 Ų | 71.5 | 40% | 0.397 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.9 | -39.3 | 180 | 0 | 0 | 0 | 0 | 0 | 112 | L63 S64 H69 V70 R71 | L63-A67 VanDerWaalsContact O-CB 3.26Å; L63-A67 WeakPolarHBondContact O-CB 3.32Å; L63-A67 PolarHBondContact O-N 3.48Å; S64-A67 PolarHBondContact O-N 2.96Å; A67-H69 VanDerWaalsContact C-N 3.33Å; A67-H69 PolarHBondContact O-N 3.18Å; A67-V70 PolarHBondContact O-N 3.33Å; A67-R71 PolarHBondContact O-N 3.26Å |
| 68 | M | 69.2 | Low | 70.3 | Confident | 101 Ų | 101 | 70 Ų | 70 | 50% | 0.498 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.9 | -41.4 | 172.7 | -77.1 | -163.2 | -64.8 | 0 | 0 | 112.2 | S64 N65 V66 R71 | S64-M68 WeakPolarHBondContact O-CG 3.48Å; S64-M68 PolarHBondContact O-N 3.49Å; N65-M68 PolarHBondContact O-N 3.35Å; N65-M68 WeakPolarHBondContact OD1-CE 3.27Å; V66-M68 VanDerWaalsContact C-N 3.33Å; V66-M68 PolarHBondContact O-N 3.05Å; M68-R71 WeakPolarHBondContact O-CB 3.28Å; M68-R71 PolarHBondContact O-N 3.14Å |
| 69 | H | 70.3 | Confident | 71.9 | Confident | 72 Ų | 72 | 68.3 Ų | 68.3 | 33% | 0.333 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -70.2 | -38.5 | 177.2 | -70.4 | -43.5 | 0 | 0 | 0 | 112.5 | N65 V66 A67 R71 K72 F169 M173 | N65-H69 PolarHBondContact O-CD2 3.45Å; N65-H69 PolarHBondContact O-N 2.96Å; N65-H69 VanDerWaalsContact O-N 3.1Å; V66-H69 PolarHBondContact O-N 3.47Å; V66-H69 VanDerWaalsContact O-N 3.1Å; A67-H69 VanDerWaalsContact C-N 3.33Å; A67-H69 PolarHBondContact O-N 3.18Å; H69-R71 PolarHBondContact O-N 3.12Å; H69-K72 WeakPolarHBondContact O-CB 3.33Å; H69-K72 PolarHBondContact O-N 3.41Å; H69-F169 HydrophobicContact CB-CE1 4.23Å; H69-F169 HydrophobicContact CB-CZ 3.92Å; H69-M173 HydrophobicContact CB-CE 3.64Å; H69-M173 HydrophobicContact CB-CG 4.19Å; H69-M173 HydrophobicContact CB-SD 3.79Å |
| 70 | V | 74.8 | Confident | 73.5 | Confident | 12 Ų | 12 | 62.8 Ų | 62.8 | 7% | 0.073 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.2 | -29.9 | 175.7 | 172.1 | 0 | 0 | 0 | 0 | 112.1 | V66 A67 K72 L73 L80 L81 A84 | V66-V70 HydrophobicContact CG1-CG2 4.19Å; V66-V70 VanDerWaalsContact O-CG2 3.3Å; V66-V70 WeakPolarHBondContact O-CG2 3.46Å; V66-V70 PolarHBondContact O-N 3.32Å; A67-V70 PolarHBondContact O-N 3.33Å; V70-K72 PolarHBondContact O-N 3.05Å; V70-L73 WeakPolarHBondContact O-CB 3.08Å; V70-L73 PolarHBondContact O-N 3.29Å; V70-L80 HydrophobicContact CG2-CD2 3.85Å; V70-L80 HydrophobicContact CG2-CG 4.07Å; V70-L81 HydrophobicContact CG1-CD2 3.79Å; V70-A84 HydrophobicContact CG1-CB 3.63Å |
| 71 | R | 77.6 | Confident | 74.2 | Confident | 186 Ų | 186 | 62.6 Ų | 62.6 | 70% | 0.702 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -58.3 | -29.2 | 173.4 | -70.6 | 177.7 | -174 | 178.7 | 2.6 | 113.2 | A67 M68 H69 L73 V74 | A67-R71 PolarHBondContact O-N 3.26Å; M68-R71 WeakPolarHBondContact O-CB 3.28Å; M68-R71 PolarHBondContact O-N 3.14Å; H69-R71 PolarHBondContact O-N 3.12Å; R71-L73 PolarHBondContact O-N 2.94Å; R71-V74 VanDerWaalsContact O-CB 3.29Å; R71-V74 WeakPolarHBondContact O-CB 3.32Å; R71-V74 VanDerWaalsContact O-CG2 3.23Å; R71-V74 WeakPolarHBondContact O-CG2 3.48Å; R71-V74 PolarHBondContact O-N 3.5Å; R71-V74 VanDerWaalsContact O-N 3.13Å |
| 72 | K | 80.6 | Confident | 75 | Confident | 132 Ų | 132 | 59.8 Ų | 59.8 | 57% | 0.574 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -66.8 | -19.3 | 176.3 | -64.1 | -173.9 | 174.9 | -176.3 | 0 | 113 | H69 V70 V74 F169 | H69-K72 WeakPolarHBondContact O-CB 3.33Å; H69-K72 PolarHBondContact O-N 3.41Å; V70-K72 PolarHBondContact O-N 3.05Å; K72-V74 VanDerWaalsContact C-N 3.32Å; K72-F169 HydrophobicContact CB-CE1 4.11Å; K72-F169 HydrophobicContact CD-CE1 4.11Å; K72-F169 HydrophobicContact CD-CZ 4.18Å |
| 73 | L | 81.4 | Confident | 75.7 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -83.6 | -10.8 | 177 | -56.7 | 175.9 | 0 | 0 | 0 | 112.1 | V70 R71 G75 T76 H78 L80 L81 D166 F169 | V70-L73 WeakPolarHBondContact O-CB 3.08Å; V70-L73 PolarHBondContact O-N 3.29Å; R71-L73 PolarHBondContact O-N 2.94Å; L73-G75 PolarHBondContact O-N 3.17Å; L73-T76 VanDerWaalsContact O-CB 3.31Å; L73-T76 WeakPolarHBondContact O-CB 3.45Å; L73-T76 WeakPolarHBondContact O-CG2 3.42Å; L73-T76 PolarHBondContact O-N 2.89Å; L73-T76 PolarHBondContact O-OG1 3.28Å; L73-H78 HydrophobicContact CD1-CB 4.28Å; L73-H78 HydrophobicContact CD2-CB 4.5Å; L73-L80 HydrophobicContact CD1-CB 4.17Å; L73-L80 HydrophobicContact CD1-CD2 3.92Å; L73-L80 HydrophobicContact CD1-CG 4.43Å; L73-L81 HydrophobicContact CB-CD1 4.15Å; L73-L81 HydrophobicContact CB-CD2 3.95Å; L73-L81 HydrophobicContact CB-CG 3.86Å; L73-L81 WeakPolarHBondContact O-CD1 3.41Å; L73-D166 WeakPolarHBondContact CD2-O 3.25Å; L73-F169 HydrophobicContact CD2-CD1 3.97Å |
| 74 | V | 83.8 | Confident | 76.2 | Confident | 108 Ų | 108 | 56.7 Ų | 56.7 | 66% | 0.655 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | 124.6 | -179.3 | 174 | 0 | 0 | 0 | 0 | 109.8 | R71 K72 L81 | R71-V74 VanDerWaalsContact O-CB 3.29Å; R71-V74 WeakPolarHBondContact O-CB 3.32Å; R71-V74 VanDerWaalsContact O-CG2 3.23Å; R71-V74 WeakPolarHBondContact O-CG2 3.48Å; R71-V74 PolarHBondContact O-N 3.5Å; R71-V74 VanDerWaalsContact O-N 3.13Å; K72-V74 VanDerWaalsContact C-N 3.32Å; V74-L81 HydrophobicContact CG2-CD2 4.22Å |
| 75 | G | 80.7 | Confident | 76.4 | Confident | 77 Ų | 77 | 61.8 Ų | 61.8 | 79% | 0.794 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 100.8 | -10 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114 | L73 | L73-G75 PolarHBondContact O-N 3.17Š|
| 76 | T | 86 | Confident | 76.5 | Confident | 15 Ų | 15 | 58.9 Ų | 58.9 | 9% | 0.092 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -93.8 | 169 | 168.2 | 73.6 | 0 | 0 | 0 | 0 | 111.4 | L73 H78 L81 D161 D166 M167 | L73-T76 VanDerWaalsContact O-CB 3.31Å; L73-T76 WeakPolarHBondContact O-CB 3.45Å; L73-T76 WeakPolarHBondContact O-CG2 3.42Å; L73-T76 PolarHBondContact O-N 2.89Å; L73-T76 PolarHBondContact O-OG1 3.28Å; T76-H78 VanDerWaalsContact C-N 3.34Å; T76-H78 WeakPolarHBondContact OG1-CB 3.48Å; T76-H78 PolarHBondContact OG1-N 3.1Å; T76-L81 WeakPolarHBondContact O-CD1 3.49Å; T76-D161 CarbonylContact C-O 3.44Å; T76-D161 WeakPolarHBondContact CA-O 3.04Å; T76-D161 WeakPolarHBondContact CB-O 3.34Å; T76-D166 HydrophobicContact CG2-CB 3.77Å; T76-M167 HydrophobicContact CG2-SD 4.48Å |
| 77 | Q | 83.3 | Confident | 76.2 | Confident | 114 Ų | 114 | 59.5 Ų | 59.5 | 53% | 0.533 | 32% | 0.315 | S | S | . | . | trans | -96.9 | 22.6 | 168.1 | -58.9 | -157 | 48.6 | 0 | 0 | 112.5 | P79 S160 D161 | Q77-P79 WeakPolarHBondContact O-CD 3.37Å; Q77-S160 PolarHBondContact NE2-O 3.45Å; Q77-D161 PolarHBondContact N-O 2.76Å | ||
| 78 | H | 87.1 | Confident | 75.6 | Confident | 1 Ų | 1 | 61.6 Ų | 61.6 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | trans | -61.9 | 124.6 | 179.2 | -165.1 | -79.3 | 0 | 0 | 0 | 111 | L73 T76 L80 L81 G150 M167 G170 N171 | L73-H78 HydrophobicContact CD1-CB 4.28Å; L73-H78 HydrophobicContact CD2-CB 4.5Å; T76-H78 VanDerWaalsContact C-N 3.34Å; T76-H78 WeakPolarHBondContact OG1-CB 3.48Å; T76-H78 PolarHBondContact OG1-N 3.1Å; H78-L80 WeakPolarHBondContact ND1-CB 3.34Å; H78-L80 PolarHBondContact ND1-N 3.44Å; H78-L80 PolarHBondContact O-N 2.71Å; H78-L81 WeakPolarHBondContact O-CB 3.4Å; H78-L81 PolarHBondContact O-N 3.09Å; H78-G150 PolarHBondContact CE1-O 2.91Å; H78-M167 HydrophobicContact CB-CE 4.14Å; H78-M167 HydrophobicContact CB-SD 3.96Å; H78-G170 PolarHBondContact CE1-O 3.4Å; H78-G170 WeakPolarHBondContact NE2-CA 3.48Å; H78-N171 PolarHBondContact NE2-N 3.35Å; H78-N171 VanDerWaalsContact NE2-N 3.16Å; H78-N171 PolarHBondContact NE2-OD1 3.45Å | ||
| 79 | P | 84.3 | Confident | 74.7 | Confident | 21 Ų | 21 | 65.9 Ų | 65.9 | 14% | 0.136 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -24.8 | -174.1 | -25.9 | 34.4 | 0 | 0 | 0 | 115.1 | Q77 L81 N82 T83 V152 | Q77-P79 WeakPolarHBondContact O-CD 3.37Å; P79-L81 PolarHBondContact O-N 3.32Å; P79-N82 WeakPolarHBondContact O-CB 3.27Å; P79-N82 PolarHBondContact O-N 3.4Å; P79-T83 PolarHBondContact O-N 2.92Å; P79-T83 VanDerWaalsContact O-N 3.14Å; P79-T83 PolarHBondContact O-OG1 2.97Å; P79-V152 HydrophobicContact CG-CG1 3.67Å |
| 80 | L | 82.4 | Confident | 73.7 | Confident | 5 Ų | 5 | 64.8 Ų | 64.8 | 3% | 0.026 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -54.4 | -32 | 172.9 | -170.7 | 60.5 | 0 | 0 | 0 | 112.5 | V70 L73 H78 T83 A84 V147 M173 A174 | V70-L80 HydrophobicContact CG2-CD2 3.85Å; V70-L80 HydrophobicContact CG2-CG 4.07Å; L73-L80 HydrophobicContact CD1-CB 4.17Å; L73-L80 HydrophobicContact CD1-CD2 3.92Å; L73-L80 HydrophobicContact CD1-CG 4.43Å; H78-L80 WeakPolarHBondContact ND1-CB 3.34Å; H78-L80 PolarHBondContact ND1-N 3.44Å; H78-L80 PolarHBondContact O-N 2.71Å; L80-T83 PolarHBondContact O-N 3.46Å; L80-A84 VanDerWaalsContact O-CB 3.25Å; L80-A84 WeakPolarHBondContact O-CB 3.2Å; L80-A84 PolarHBondContact O-N 3.35Å; L80-V147 HydrophobicContact CD1-CG1 3.87Å; L80-V147 HydrophobicContact CD1-CG2 4.44Å; L80-M173 HydrophobicContact CD2-CB 3.72Å; L80-A174 HydrophobicContact CD1-CB 4.42Å; L80-A174 HydrophobicContact CD2-CB 4.42Å |
| 81 | L | 77.7 | Confident | 72.1 | Confident | 26 Ų | 26 | 68.9 Ų | 68.9 | 14% | 0.136 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65 | -38.8 | 174.6 | -76.7 | 175.8 | 0 | 0 | 0 | 112.8 | V70 L73 V74 T76 H78 P79 T83 A84 R85 | V70-L81 HydrophobicContact CG1-CD2 3.79Å; L73-L81 HydrophobicContact CB-CD1 4.15Å; L73-L81 HydrophobicContact CB-CD2 3.95Å; L73-L81 HydrophobicContact CB-CG 3.86Å; L73-L81 WeakPolarHBondContact O-CD1 3.41Å; V74-L81 HydrophobicContact CG2-CD2 4.22Å; T76-L81 WeakPolarHBondContact O-CD1 3.49Å; H78-L81 WeakPolarHBondContact O-CB 3.4Å; H78-L81 PolarHBondContact O-N 3.09Å; P79-L81 PolarHBondContact O-N 3.32Å; L81-T83 VanDerWaalsContact C-N 3.35Å; L81-A84 PolarHBondContact O-N 2.92Å; L81-R85 WeakPolarHBondContact O-CB 3.27Å; L81-R85 WeakPolarHBondContact O-CG 3.33Å; L81-R85 PolarHBondContact O-N 2.92Å |
| 82 | N | 75.3 | Confident | 70.4 | Confident | 64 Ų | 64 | 68.8 Ų | 68.8 | 34% | 0.342 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -68.2 | -41.5 | 178.2 | -67.6 | -26.1 | 0 | 0 | 0 | 110.3 | P79 R85 G86 | P79-N82 WeakPolarHBondContact O-CB 3.27Å; P79-N82 PolarHBondContact O-N 3.4Å; N82-R85 PolarHBondContact O-N 3.28Å; N82-G86 PolarHBondContact O-N 2.69Å |
| 83 | T | 73.1 | Confident | 68.7 | Low | 27 Ų | 27 | 64.6 Ų | 64.6 | 17% | 0.166 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59.9 | -47.8 | 173.4 | -48.8 | 0 | 0 | 0 | 0 | 110.1 | P79 L80 L81 R85 G86 F87 L146 V147 | P79-T83 PolarHBondContact O-N 2.92Å; P79-T83 VanDerWaalsContact O-N 3.14Å; P79-T83 PolarHBondContact O-OG1 2.97Å; L80-T83 PolarHBondContact O-N 3.46Å; L81-T83 VanDerWaalsContact C-N 3.35Å; T83-R85 PolarHBondContact O-N 3.49Å; T83-G86 PolarHBondContact O-N 3.28Å; T83-F87 HydrophobicContact CG2-CE2 3.81Å; T83-F87 HydrophobicContact CG2-CZ 4.06Å; T83-F87 WeakPolarHBondContact O-CD2 3.32Å; T83-F87 WeakPolarHBondContact O-CE2 3.27Å; T83-F87 PolarHBondContact O-N 2.91Å; T83-L146 HydrophobicContact CG2-CB 4.18Å; T83-V147 HydrophobicContact CG2-CG2 3.78Å |
| 84 | A | 71.4 | Confident | 67.2 | Low | 24 Ų | 24 | 66 Ų | 66 | 20% | 0.198 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -58.5 | -46.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | V70 L80 L81 G86 F87 V88 | V70-A84 HydrophobicContact CG1-CB 3.63Å; L80-A84 VanDerWaalsContact O-CB 3.25Å; L80-A84 WeakPolarHBondContact O-CB 3.2Å; L80-A84 PolarHBondContact O-N 3.35Å; L81-A84 PolarHBondContact O-N 2.92Å; A84-G86 VanDerWaalsContact C-N 3.28Å; A84-G86 PolarHBondContact O-N 3.25Å; A84-F87 PolarHBondContact O-N 3.22Å; A84-V88 PolarHBondContact O-N 3.44Å |
| 85 | R | 69.3 | Low | 65.7 | Low | 157 Ų | 157 | 62.7 Ų | 62.7 | 59% | 0.592 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -63.4 | -35.4 | 176.9 | -76.9 | 172 | 67.8 | 177.4 | 2.8 | 111.9 | L81 N82 T83 F87 V88 Y89 | L81-R85 WeakPolarHBondContact O-CB 3.27Å; L81-R85 WeakPolarHBondContact O-CG 3.33Å; L81-R85 PolarHBondContact O-N 2.92Å; N82-R85 PolarHBondContact O-N 3.28Å; T83-R85 PolarHBondContact O-N 3.49Å; R85-F87 VanDerWaalsContact C-N 3.29Å; R85-F87 PolarHBondContact O-N 2.92Å; R85-V88 PolarHBondContact O-N 3.4Å; R85-Y89 PolarHBondContact O-N 3.28Å |
| 86 | G | 63.6 | Low | 64.8 | Low | 18 Ų | 18 | 59.7 Ų | 59.7 | 19% | 0.186 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -50.3 | -50.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | N82 T83 A84 V88 D90 L95 | N82-G86 PolarHBondContact O-N 2.69Å; T83-G86 PolarHBondContact O-N 3.28Å; A84-G86 VanDerWaalsContact C-N 3.28Å; A84-G86 PolarHBondContact O-N 3.25Å; G86-V88 PolarHBondContact O-N 3.47Å; G86-D90 WeakPolarHBondContact O-CB 3.31Å; G86-D90 PolarHBondContact O-N 3.12Å; G86-L95 WeakPolarHBondContact O-CD1 3.32Å |
| 87 | F | 60.4 | Low | 64.4 | Low | 42 Ų | 42 | 59.8 Ų | 59.8 | 18% | 0.184 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.1 | -35.7 | 179.8 | -55.3 | -75.9 | 0 | 0 | 0 | 114.4 | L58 T83 A84 R85 L95 T143 | L58-F87 HydrophobicContact CD2-CB 4.15Å; T83-F87 HydrophobicContact CG2-CE2 3.81Å; T83-F87 HydrophobicContact CG2-CZ 4.06Å; T83-F87 WeakPolarHBondContact O-CD2 3.32Å; T83-F87 WeakPolarHBondContact O-CE2 3.27Å; T83-F87 PolarHBondContact O-N 2.91Å; A84-F87 PolarHBondContact O-N 3.22Å; R85-F87 VanDerWaalsContact C-N 3.29Å; R85-F87 PolarHBondContact O-N 2.92Å; F87-L95 HydrophobicContact CD1-CD1 4.04Å; F87-L95 HydrophobicContact CD1-CD2 3.41Å; F87-L95 VanDerWaalsContact CD1-CD2 3.41Å; F87-L95 HydrophobicContact CD1-CG 4.26Å; F87-L95 HydrophobicContact CE1-CD2 3.89Å; F87-L95 HydrophobicContact CG-CD1 4.44Å; F87-L95 HydrophobicContact CG-CD2 4.41Å; F87-T143 HydrophobicContact CE1-CG2 3.33Å; F87-T143 HydrophobicContact CZ-CG2 3.27Å |
| 88 | V | 55.8 | Low | 64.7 | Low | 92 Ų | 92 | 55.4 Ų | 55.4 | 56% | 0.558 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -90.5 | -45.6 | -170.4 | 179.2 | 0 | 0 | 0 | 0 | 112.3 | A84 R85 G86 | A84-V88 PolarHBondContact O-N 3.44Å; R85-V88 PolarHBondContact O-N 3.4Å; G86-V88 PolarHBondContact O-N 3.47Å |
| 89 | Y | 49 | Very low | 64.8 | Low | 190 Ų | 190 | 55.4 Ų | 55.4 | 75% | 0.745 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -98 | -26.9 | -172.1 | -82.9 | -84.6 | 0 | 0 | 0 | 113.4 | R85 S91 | R85-Y89 PolarHBondContact O-N 3.28Å; Y89-S91 PolarHBondContact O-N 2.86Å |
| 90 | D | 49.2 | Very low | 65 | Low | 50 Ų | 50 | 54.5 Ų | 54.5 | 27% | 0.267 | 27% | 0.272 | S | S | . | . | trans | -91.4 | 28.7 | -177 | -131.3 | 2.7 | 0 | 0 | 0 | 112.6 | G86 K92 N93 | G86-D90 WeakPolarHBondContact O-CB 3.31Å; G86-D90 PolarHBondContact O-N 3.12Å; D90-K92 PolarHBondContact O-N 2.93Å; D90-N93 CarbonylContact O-C 3.41Å; D90-N93 PolarHBondContact O-N 3.01Å; D90-N93 WeakPolarHBondContact OD1-CB 3.45Å | ||
| 91 | S | 41.7 | Very low | 65.5 | Low | 97 Ų | 97 | 54.2 Ų | 54.2 | 68% | 0.678 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -6.6 | 171.4 | 57.3 | 0 | 0 | 0 | 0 | 114 | Y89 | Y89-S91 PolarHBondContact O-N 2.86Š|
| 92 | K | 42.1 | Very low | 66.4 | Low | 184 Ų | 184 | 53 Ų | 53 | 80% | 0.8 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.6 | -12.8 | 174.1 | -69.5 | -174.7 | 178.6 | -179.3 | 0 | 114.2 | D90 | D90-K92 PolarHBondContact O-N 2.93Š|
| 93 | N | 45.2 | Very low | 67.3 | Low | 44 Ų | 44 | 50.2 Ų | 50.2 | 24% | 0.235 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -141.9 | 125.6 | 179 | -68.4 | -45 | 0 | 0 | 0 | 112.4 | S36 D90 L95 | S36-N93 VanDerWaalsContact CB-OD1 3.31Å; S36-N93 WeakPolarHBondContact CB-OD1 3.44Å; S36-N93 PolarHBondContact OG-OD1 3.03Å; D90-N93 CarbonylContact O-C 3.41Å; D90-N93 PolarHBondContact O-N 3.01Å; D90-N93 WeakPolarHBondContact OD1-CB 3.45Å; N93-L95 PolarHBondContact O-N 3.37Å; N93-L95 VanDerWaalsContact O-N 3.15Å |
| 94 | N | 50.7 | Low | 68.3 | Low | 30 Ų | 30 | 48.9 Ų | 48.9 | 16% | 0.16 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.4 | -2.4 | 148.7 | -66.8 | -28.5 | 0 | 0 | 0 | 120.4 | F26 W35 Q96 | F26-N94 WeakPolarHBondContact CE1-ND2 3.17Å; F26-N94 HydrophobicContact CE2-CB 4.01Å; F26-N94 WeakPolarHBondContact CE2-ND2 3.41Å; F26-N94 HydrophobicContact CZ-CB 4.35Å; F26-N94 WeakPolarHBondContact CZ-ND2 3.41Å; W35-N94 PolarHBondContact NE1-OD1 3.46Å; N94-Q96 PolarHBondContact O-N 3.48Å; N94-Q96 VanDerWaalsContact O-N 3.16Å |
| 95 | L | 50.3 | Low | 69.5 | Low | 39 Ų | 39 | 47.8 Ų | 47.8 | 20% | 0.204 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -12.6 | -174.9 | -146.2 | 112.6 | 0 | 0 | 0 | 115.3 | G86 F87 N93 E139 | G86-L95 WeakPolarHBondContact O-CD1 3.32Å; F87-L95 HydrophobicContact CD1-CD1 4.04Å; F87-L95 HydrophobicContact CD1-CD2 3.41Å; F87-L95 VanDerWaalsContact CD1-CD2 3.41Å; F87-L95 HydrophobicContact CD1-CG 4.26Å; F87-L95 HydrophobicContact CE1-CD2 3.89Å; F87-L95 HydrophobicContact CG-CD1 4.44Å; F87-L95 HydrophobicContact CG-CD2 4.41Å; N93-L95 PolarHBondContact O-N 3.37Å; N93-L95 VanDerWaalsContact O-N 3.15Å; L95-E139 VanDerWaalsContact O-CD 3.3Å; L95-E139 VanDerWaalsContact O-OE1 3.09Å |
| 96 | Q | 63.2 | Low | 70.8 | Confident | 13 Ų | 13 | 40.3 Ų | 40.3 | 6% | 0.061 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -136.8 | 31.7 | -177.8 | -53.7 | -163.5 | 3.3 | 0 | 0 | 114.7 | T50 S54 N94 R98 G99 L100 E139 | T50-Q96 HydrophobicContact CG2-CB 3.87Å; T50-Q96 VanDerWaalsContact CG2-OE1 3.23Å; T50-Q96 PolarHBondContact O-NE2 3.3Å; T50-Q96 PolarHBondContact O-OE1 2.96Å; S54-Q96 PolarHBondContact OG-NE2 2.99Å; N94-Q96 PolarHBondContact O-N 3.48Å; N94-Q96 VanDerWaalsContact O-N 3.16Å; Q96-R98 PolarHBondContact O-N 3.4Å; Q96-G99 PolarHBondContact O-N 3.38Å; Q96-L100 VanDerWaalsContact O-CB 3.31Å; Q96-L100 WeakPolarHBondContact O-CB 3.3Å; Q96-L100 PolarHBondContact O-N 3.2Å; Q96-E139 VanDerWaalsContact CA-OE2 3.31Å; Q96-E139 WeakPolarHBondContact CA-OE2 3.31Å; Q96-E139 HydrophobicContact CB-CG 4.26Å; Q96-E139 HydrophobicContact CG-CG 4.03Å |
| 97 | M | 77.6 | Confident | 72.2 | Confident | 18 Ų | 18 | 42.2 Ų | 42.2 | 9% | 0.089 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.2 | -36.1 | -177.5 | -166.3 | -147.2 | -56.5 | 0 | 0 | 111.3 | W35 I101 H277 | W35-M97 HydrophobicContact CH2-SD 4.47Å; W35-M97 HydrophobicContact CZ2-CE 3.76Å; W35-M97 HydrophobicContact CZ2-CG 4.42Å; W35-M97 HydrophobicContact CZ2-SD 3.99Å; M97-I101 HydrophobicContact CG-CG1 4.48Å; M97-I101 WeakPolarHBondContact O-CB 3.48Å; M97-I101 WeakPolarHBondContact O-CG1 3.44Å; M97-I101 PolarHBondContact O-N 3.4Å; M97-H277 WeakPolarHBondContact CE-NE2 3.48Å |
| 98 | R | 88.4 | Confident | 73.9 | Confident | 22 Ų | 22 | 40.4 Ų | 40.4 | 8% | 0.083 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -70.6 | -48.7 | -178.3 | -66.4 | 172.5 | 176.1 | 69.7 | 2.5 | 110.9 | Q96 L100 I101 V102 T138 E139 H142 L245 | Q96-R98 PolarHBondContact O-N 3.4Å; R98-L100 VanDerWaalsContact C-N 3.33Å; R98-L100 PolarHBondContact O-N 3.13Å; R98-I101 PolarHBondContact O-N 3.46Å; R98-V102 WeakPolarHBondContact O-CG2 3.37Å; R98-V102 PolarHBondContact O-N 3.41Å; R98-T138 HydrophobicContact CB-CG2 3.84Å; R98-E139 WeakPolarHBondContact CB-OE2 3.4Å; R98-E139 PolarHBondContact N-OE2 3.06Å; R98-H142 PolarHBondContact NH1-CD2 2.88Å; R98-H142 PolarHBondContact NH1-CE1 2.99Å; R98-H142 VanDerWaalsContact NH1-CE1 3.29Å; R98-H142 PolarHBondContact NH1-NE2 3.42Å; R98-H142 PolarHBondContact NH2-CE1 2.93Å; R98-H142 VanDerWaalsContact NH2-CE1 3.33Å; R98-L245 HydrophobicContact CB-CD1 4.11Å; R98-L245 HydrophobicContact CG-CD1 4.22Å |
| 99 | G | 89 | Confident | 75.8 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -55.9 | -47 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q96 I101 V102 L103 E139 | Q96-G99 PolarHBondContact O-N 3.38Å; G99-I101 PolarHBondContact O-N 3.36Å; G99-V102 WeakPolarHBondContact O-CB 3.24Å; G99-V102 PolarHBondContact O-N 3.17Å; G99-L103 VanDerWaalsContact O-CG 3.31Å; G99-L103 WeakPolarHBondContact O-CG 3.34Å; G99-L103 PolarHBondContact O-N 3.44Å; G99-E139 PolarHBondContact N-OE2 3.48Å; G99-E139 VanDerWaalsContact N-OE2 3.12Å |
| 100 | L | 89.2 | Confident | 77.8 | Confident | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.7 | -45.9 | 178 | 179.4 | 59.2 | 0 | 0 | 0 | 112.6 | V39 A42 E43 V46 T50 Q96 R98 V102 L103 L104 | V39-L100 HydrophobicContact CG1-CD2 3.92Å; A42-L100 HydrophobicContact CB-CD2 4.2Å; E43-L100 HydrophobicContact CG-CD1 4.08Å; E43-L100 HydrophobicContact CG-CD2 3.82Å; V46-L100 HydrophobicContact CG1-CD1 4.3Å; V46-L100 HydrophobicContact CG2-CD1 3.98Å; T50-L100 HydrophobicContact CG2-CB 4.15Å; Q96-L100 VanDerWaalsContact O-CB 3.31Å; Q96-L100 WeakPolarHBondContact O-CB 3.3Å; Q96-L100 PolarHBondContact O-N 3.2Å; R98-L100 VanDerWaalsContact C-N 3.33Å; R98-L100 PolarHBondContact O-N 3.13Å; L100-V102 VanDerWaalsContact C-N 3.34Å; L100-V102 PolarHBondContact O-N 3.18Å; L100-L103 PolarHBondContact O-N 3.27Å; L100-L104 HydrophobicContact CD1-CD1 4.04Å; L100-L104 HydrophobicContact CD1-CG 4.06Å; L100-L104 HydrophobicContact CG-CD1 3.86Å; L100-L104 HydrophobicContact CG-CG 4.36Å; L100-L104 WeakPolarHBondContact O-CB 3.43Å; L100-L104 VanDerWaalsContact O-CG 3.31Å; L100-L104 WeakPolarHBondContact O-CG 3.4Å; L100-L104 PolarHBondContact O-N 2.91Å |
| 101 | I | 94.1 | Very high | 79.7 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.9 | -43.3 | 177.6 | -70 | -64.6 | 0 | 0 | 0 | 111.1 | M97 R98 G99 L103 L104 L105 L245 Y269 L273 L375 I378 | M97-I101 HydrophobicContact CG-CG1 4.48Å; M97-I101 WeakPolarHBondContact O-CB 3.48Å; M97-I101 WeakPolarHBondContact O-CG1 3.44Å; M97-I101 PolarHBondContact O-N 3.4Å; R98-I101 PolarHBondContact O-N 3.46Å; G99-I101 PolarHBondContact O-N 3.36Å; I101-L103 VanDerWaalsContact C-N 3.32Å; I101-L103 PolarHBondContact O-N 2.87Å; I101-L104 PolarHBondContact O-N 2.95Å; I101-L105 VanDerWaalsContact O-CB 3.27Å; I101-L105 WeakPolarHBondContact O-CB 3.5Å; I101-L105 PolarHBondContact O-N 3.06Å; I101-L245 HydrophobicContact CB-CD1 4.08Å; I101-L245 HydrophobicContact CG2-CD1 3.89Å; I101-L245 HydrophobicContact CG2-CD2 4.47Å; I101-Y269 HydrophobicContact CG2-CD1 4.38Å; I101-Y269 HydrophobicContact CG2-CE1 3.79Å; I101-L273 HydrophobicContact CD1-CD2 3.57Å; I101-L273 HydrophobicContact CG1-CD2 3.84Å; I101-L273 HydrophobicContact CG2-CD2 4.2Å; I101-L375 HydrophobicContact CD1-CD2 3.66Å; I101-L375 HydrophobicContact CG2-CD2 4.32Å; I101-I378 HydrophobicContact CD1-CD1 3.7Å; I101-I378 HydrophobicContact CD1-CG2 4.06Å |
| 102 | V | 95.6 | Very high | 81.8 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.5 | -43.3 | 175.9 | 170.7 | 0 | 0 | 0 | 0 | 111 | R98 G99 L100 S106 A135 L245 A252 | R98-V102 WeakPolarHBondContact O-CG2 3.37Å; R98-V102 PolarHBondContact O-N 3.41Å; G99-V102 WeakPolarHBondContact O-CB 3.24Å; G99-V102 PolarHBondContact O-N 3.17Å; L100-V102 VanDerWaalsContact C-N 3.34Å; L100-V102 PolarHBondContact O-N 3.18Å; V102-S106 WeakPolarHBondContact O-CB 3.41Å; V102-S106 PolarHBondContact O-N 3.26Å; V102-S106 PolarHBondContact O-OG 3Å; V102-A135 HydrophobicContact CB-CB 4.2Å; V102-A135 HydrophobicContact CG1-CB 4.03Å; V102-L245 HydrophobicContact CG2-CD1 4.48Å; V102-A252 HydrophobicContact CG1-CB 3.99Å |
| 103 | L | 93.9 | Very high | 83.4 | Confident | 5 Ų | 5 | 26.3 Ų | 26.3 | 3% | 0.026 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67.5 | -45.3 | 178.5 | -68.3 | 175.6 | 0 | 0 | 0 | 112.9 | V46 T50 G99 L100 I101 L105 S106 K107 I127 R132 A135 | V46-L103 HydrophobicContact CB-CB 4.17Å; V46-L103 HydrophobicContact CB-CD1 4.45Å; V46-L103 HydrophobicContact CG1-CB 3.71Å; V46-L103 HydrophobicContact CG2-CD1 4.26Å; T50-L103 HydrophobicContact CG2-CD1 4.5Å; G99-L103 VanDerWaalsContact O-CG 3.31Å; G99-L103 WeakPolarHBondContact O-CG 3.34Å; G99-L103 PolarHBondContact O-N 3.44Å; L100-L103 PolarHBondContact O-N 3.27Å; I101-L103 VanDerWaalsContact C-N 3.32Å; I101-L103 PolarHBondContact O-N 2.87Å; L103-L105 VanDerWaalsContact C-N 3.33Å; L103-L105 PolarHBondContact O-N 3.2Å; L103-S106 WeakPolarHBondContact O-CB 3.46Å; L103-S106 PolarHBondContact O-N 3.3Å; L103-K107 WeakPolarHBondContact O-CB 3.44Å; L103-K107 PolarHBondContact O-N 2.94Å; L103-I127 HydrophobicContact CB-CD1 4.09Å; L103-I127 HydrophobicContact CD2-CD1 4.17Å; L103-I127 HydrophobicContact CD2-CG2 4.1Å; L103-I127 WeakPolarHBondContact O-CD1 3.29Å; L103-R132 HydrophobicContact CD2-CB 4.29Å; L103-R132 HydrophobicContact CD2-CG 3.77Å; L103-A135 HydrophobicContact CD1-CB 4.39Å; L103-A135 HydrophobicContact CD2-CB 3.85Å; L103-A135 HydrophobicContact CG-CB 3.77Å |
| 104 | L | 94.9 | Very high | 84.8 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.1 | -42.9 | 177.2 | -73.9 | 167 | 0 | 0 | 0 | 111.1 | A42 I45 V46 L100 I101 S106 K107 A108 A371 A374 L375 I378 | A42-L104 HydrophobicContact CB-CD1 3.85Å; A42-L104 HydrophobicContact CB-CD2 4.38Å; I45-L104 HydrophobicContact CB-CD2 4.23Å; I45-L104 HydrophobicContact CG2-CD2 4.12Å; V46-L104 HydrophobicContact CG1-CD2 3.75Å; V46-L104 HydrophobicContact CG1-CG 3.95Å; L100-L104 HydrophobicContact CD1-CD1 4.04Å; L100-L104 HydrophobicContact CD1-CG 4.06Å; L100-L104 HydrophobicContact CG-CD1 3.86Å; L100-L104 HydrophobicContact CG-CG 4.36Å; L100-L104 WeakPolarHBondContact O-CB 3.43Å; L100-L104 VanDerWaalsContact O-CG 3.31Å; L100-L104 WeakPolarHBondContact O-CG 3.4Å; L100-L104 PolarHBondContact O-N 2.91Å; I101-L104 PolarHBondContact O-N 2.95Å; L104-S106 VanDerWaalsContact C-N 3.35Å; L104-K107 PolarHBondContact O-N 3.36Å; L104-A108 VanDerWaalsContact O-CB 3.29Å; L104-A108 WeakPolarHBondContact O-CB 3.44Å; L104-A108 PolarHBondContact O-N 2.84Å; L104-A371 HydrophobicContact CD2-CB 4.36Å; L104-A374 HydrophobicContact CD2-CB 4.12Å; L104-L375 HydrophobicContact CB-CD1 4.09Å; L104-L375 HydrophobicContact CB-CD2 3.66Å; L104-L375 HydrophobicContact CB-CG 3.82Å; L104-L375 HydrophobicContact CD1-CD2 4.02Å; L104-L375 HydrophobicContact CD1-CG 4.43Å; L104-I378 HydrophobicContact CD1-CD1 3.78Å |
| 105 | L | 96.6 | Very high | 85.7 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.3 | -42.1 | 178.4 | -170.3 | 69.8 | 0 | 0 | 0 | 111.2 | I101 L103 K107 A108 A109 C249 M253 A266 Y269 I363 F366 L375 | I101-L105 VanDerWaalsContact O-CB 3.27Å; I101-L105 WeakPolarHBondContact O-CB 3.5Å; I101-L105 PolarHBondContact O-N 3.06Å; L103-L105 VanDerWaalsContact C-N 3.33Å; L103-L105 PolarHBondContact O-N 3.2Å; L105-K107 VanDerWaalsContact C-N 3.32Å; L105-K107 PolarHBondContact O-N 2.95Å; L105-A108 PolarHBondContact O-N 3.48Å; L105-A109 WeakPolarHBondContact O-CB 3.43Å; L105-A109 PolarHBondContact O-N 2.92Å; L105-C249 HydrophobicContact CD2-CB 3.44Å; L105-C249 VanDerWaalsContact CD2-CB 3.44Å; L105-M253 HydrophobicContact CG-CE 4.25Å; L105-A266 HydrophobicContact CD2-CB 3.59Å; L105-A266 HydrophobicContact CG-CB 4.49Å; L105-Y269 HydrophobicContact CD1-CD1 4.45Å; L105-I363 HydrophobicContact CD1-CD1 3.42Å; L105-I363 VanDerWaalsContact CD1-CD1 3.42Å; L105-F366 HydrophobicContact CD1-CE1 4.47Å; L105-F366 HydrophobicContact CD1-CE2 4.36Å; L105-F366 HydrophobicContact CD1-CZ 4.23Å; L105-L375 HydrophobicContact CB-CD1 4.25Å; L105-L375 HydrophobicContact CD1-CD1 4.04Å |
| 106 | S | 95.6 | Very high | 86.6 | Confident | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.007 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -56.8 | -46.1 | 173.3 | -61.6 | 0 | 0 | 0 | 0 | 111.7 | V102 L103 L104 G110 Q131 | V102-S106 WeakPolarHBondContact O-CB 3.41Å; V102-S106 PolarHBondContact O-N 3.26Å; V102-S106 PolarHBondContact O-OG 3Å; L103-S106 WeakPolarHBondContact O-CB 3.46Å; L103-S106 PolarHBondContact O-N 3.3Å; L104-S106 VanDerWaalsContact C-N 3.35Å; S106-G110 PolarHBondContact O-N 3.38Å; S106-Q131 VanDerWaalsContact CB-CD 3.47Å; S106-Q131 PolarHBondContact OG-NE2 3.06Å |
| 107 | K | 94.5 | Very high | 86.7 | Confident | 57 Ų | 57 | 35.3 Ų | 35.3 | 25% | 0.248 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -69.3 | -38.3 | 178.6 | -167.5 | 179 | 174.8 | 110.6 | 0 | 112.8 | I45 L103 L104 L105 G110 S125 I127 A371 | I45-K107 HydrophobicContact CG2-CD 3.86Å; I45-K107 WeakPolarHBondContact O-CD 3.45Å; I45-K107 WeakPolarHBondContact O-CE 3.19Å; I45-K107 PolarHBondContact O-NZ 3.46Å; L103-K107 WeakPolarHBondContact O-CB 3.44Å; L103-K107 PolarHBondContact O-N 2.94Å; L104-K107 PolarHBondContact O-N 3.36Å; L105-K107 VanDerWaalsContact C-N 3.32Å; L105-K107 PolarHBondContact O-N 2.95Å; K107-G110 PolarHBondContact O-N 2.96Å; K107-S125 PolarHBondContact NZ-O 3.41Å; K107-I127 HydrophobicContact CB-CD1 4.01Å; K107-I127 HydrophobicContact CB-CG1 3.82Å; K107-I127 HydrophobicContact CG-CG1 4.31Å; K107-A371 HydrophobicContact CB-CB 3.92Å; K107-A371 HydrophobicContact CD-CB 4.07Å; K107-A371 HydrophobicContact CG-CB 4.02Å |
| 108 | A | 95.9 | Very high | 86 | Confident | 4 Ų | 4 | 40.6 Ų | 40.6 | 3% | 0.033 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.5 | -37.5 | 179 | 0 | 0 | 0 | 0 | 0 | 111.9 | L104 L105 A371 R372 L375 | L104-A108 VanDerWaalsContact O-CB 3.29Å; L104-A108 WeakPolarHBondContact O-CB 3.44Å; L104-A108 PolarHBondContact O-N 2.84Å; L105-A108 PolarHBondContact O-N 3.48Å; A108-A371 HydrophobicContact CB-CB 3.97Å; A108-R372 HydrophobicContact CB-CB 4.19Å; A108-L375 HydrophobicContact CB-CD1 4.14Å |
| 109 | A | 95.1 | Very high | 85.1 | Confident | 9 Ų | 9 | 43 Ų | 43 | 7% | 0.074 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -70.6 | -33.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L105 M253 F366 | L105-A109 WeakPolarHBondContact O-CB 3.43Å; L105-A109 PolarHBondContact O-N 2.92Å; A109-M253 HydrophobicContact CB-CE 3.67Å; A109-M253 HydrophobicContact CB-SD 3.5Å; A109-M253 WeakPolarHBondContact CB-SD 3.49Å; A109-F366 HydrophobicContact CB-CD1 3.72Å; A109-F366 HydrophobicContact CB-CE1 3.77Å |
| 110 | G | 91.4 | Very high | 84.1 | Confident | 14 Ų | 14 | 45.8 Ų | 45.8 | 14% | 0.144 | 26% | 0.26 | C | S | . | . | trans | 64.8 | -166.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | S106 K107 H258 | S106-G110 PolarHBondContact O-N 3.38Å; K107-G110 PolarHBondContact O-N 2.96Å; G110-H258 PolarHBondContact O-CE1 3.49Å; G110-H258 PolarHBondContact O-NE2 3.3Å | ||
| 111 | P | 89.3 | Confident | 83 | Confident | 72 Ų | 72 | 53.4 Ų | 53.4 | 47% | 0.468 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -70.1 | 142.3 | 177.2 | 29.4 | -33.5 | 0 | 0 | 0 | 111.2 | T120 M123 | P111-T120 HydrophobicContact CB-CG2 4.16Å; P111-M123 HydrophobicContact CB-SD 4.23Å |
| 112 | S | 85.5 | Confident | 82.2 | Confident | 16 Ų | 16 | 58.2 Ų | 58.2 | 11% | 0.112 | 32% | 0.319 | C | S | . | . | trans | -69.8 | 146.9 | 171.3 | 172.4 | 0 | 0 | 0 | 0 | 110.8 | A114 A115 A256 K257 | S112-A114 PolarHBondContact O-N 3.5Å; S112-A114 PolarHBondContact OG-N 3.29Å; S112-A114 VanDerWaalsContact OG-N 3.15Å; S112-A115 VanDerWaalsContact O-CB 3.23Å; S112-A115 WeakPolarHBondContact O-CB 3.21Å; S112-A115 PolarHBondContact O-N 3.05Å; S112-A256 WeakPolarHBondContact CB-O 3.42Å; S112-K257 WeakPolarHBondContact CB-O 3.22Å; S112-K257 PolarHBondContact OG-O 3.22Å | ||
| 113 | H | 76.7 | Confident | 81.5 | Confident | 207 Ų | 207 | 60.1 Ų | 60.1 | 96% | 0.958 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -22.9 | 170.8 | -71.1 | -66.3 | 0 | 0 | 0 | 113.1 | ||
| 114 | A | 72.6 | Confident | 80.9 | Confident | 82 Ų | 82 | 64 Ų | 64 | 68% | 0.678 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -2.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | S112 S116 | S112-A114 PolarHBondContact O-N 3.5Å; S112-A114 PolarHBondContact OG-N 3.29Å; S112-A114 VanDerWaalsContact OG-N 3.15Å; A114-S116 PolarHBondContact O-N 2.94Å |
| 115 | A | 71.1 | Confident | 80.3 | Confident | 17 Ų | 17 | 66.7 Ų | 66.7 | 14% | 0.14 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -71.9 | 127.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110 | S112 L119 T120 | S112-A115 VanDerWaalsContact O-CB 3.23Å; S112-A115 WeakPolarHBondContact O-CB 3.21Å; S112-A115 PolarHBondContact O-N 3.05Å; A115-L119 HydrophobicContact CB-CD1 4.44Å; A115-T120 HydrophobicContact CB-CG2 4.48Å |
| 116 | S | 67.9 | Low | 79.7 | Confident | 64 Ų | 64 | 68.2 Ų | 68.2 | 45% | 0.448 | 39% | 0.386 | S | S | . | . | trans | -60.4 | 145.8 | 172.7 | 174.4 | 0 | 0 | 0 | 0 | 110.8 | A114 L118 L119 T120 | A114-S116 PolarHBondContact O-N 2.94Å; S116-L118 PolarHBondContact O-N 3.36Å; S116-L118 PolarHBondContact OG-N 3.42Å; S116-L119 WeakPolarHBondContact O-CB 3.18Å; S116-L119 PolarHBondContact O-N 2.96Å; S116-T120 PolarHBondContact O-N 2.91Å | ||
| 117 | E | 66.2 | Low | 79.5 | Confident | 152 Ų | 152 | 68.1 Ų | 68.1 | 71% | 0.71 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -50.4 | -31.6 | 173.6 | -71.4 | -172.8 | 167.7 | 0 | 0 | 112.4 | T120 K121 | E117-T120 WeakPolarHBondContact CA-OG1 3.5Å; E117-T120 PolarHBondContact O-N 3.46Å; E117-T120 PolarHBondContact O-OG1 2.9Å; E117-K121 PolarHBondContact O-N 3.49Å |
| 118 | L | 62.1 | Low | 79.3 | Confident | 129 Ų | 129 | 65.9 Ų | 65.9 | 68% | 0.675 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -62 | -42.5 | 175.9 | -76.1 | 161.7 | 0 | 0 | 0 | 112.7 | S116 T120 K121 | S116-L118 PolarHBondContact O-N 3.36Å; S116-L118 PolarHBondContact OG-N 3.42Å; L118-T120 VanDerWaalsContact C-N 3.31Å; L118-T120 PolarHBondContact O-N 3.45Å; L118-K121 PolarHBondContact O-N 2.98Å |
| 119 | L | 69.3 | Low | 79 | Confident | 73 Ų | 73 | 68.5 Ų | 68.5 | 38% | 0.382 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64.7 | -40.6 | 177.1 | -70.2 | 171.2 | 0 | 0 | 0 | 110.4 | A115 S116 K121 D122 Y128 | A115-L119 HydrophobicContact CB-CD1 4.44Å; S116-L119 WeakPolarHBondContact O-CB 3.18Å; S116-L119 PolarHBondContact O-N 2.96Å; L119-K121 PolarHBondContact O-N 3.04Å; L119-D122 PolarHBondContact O-N 3.5Å; L119-Y128 HydrophobicContact CB-CE1 3.84Å; L119-Y128 WeakPolarHBondContact O-CE1 3.48Å |
| 120 | T | 68.1 | Low | 78.9 | Confident | 57 Ų | 57 | 69.7 Ų | 69.7 | 35% | 0.35 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.3 | -24.8 | -175.4 | 63.2 | 0 | 0 | 0 | 0 | 113.9 | P111 A115 S116 E117 L118 D122 | P111-T120 HydrophobicContact CB-CG2 4.16Å; A115-T120 HydrophobicContact CB-CG2 4.48Å; S116-T120 PolarHBondContact O-N 2.91Å; E117-T120 WeakPolarHBondContact CA-OG1 3.5Å; E117-T120 PolarHBondContact O-N 3.46Å; E117-T120 PolarHBondContact O-OG1 2.9Å; L118-T120 VanDerWaalsContact C-N 3.31Å; L118-T120 PolarHBondContact O-N 3.45Å; T120-D122 VanDerWaalsContact C-N 3.31Å; T120-D122 PolarHBondContact O-N 3.4Å |
| 121 | K | 67 | Low | 79 | Confident | 162 Ų | 162 | 69 Ų | 69 | 70% | 0.704 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -70.9 | -23.1 | 179.2 | -76.3 | 178.3 | 179.2 | 174.2 | 0 | 113.8 | E117 L118 L119 | E117-K121 PolarHBondContact O-N 3.49Å; L118-K121 PolarHBondContact O-N 2.98Å; L119-K121 PolarHBondContact O-N 3.04Å |
| 122 | D | 77.3 | Confident | 79.1 | Confident | 102 Ų | 102 | 67.7 Ų | 67.7 | 55% | 0.545 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -1 | -175.8 | -65.5 | -20 | 0 | 0 | 0 | 113.2 | L119 T120 V124 P129 | L119-D122 PolarHBondContact O-N 3.5Å; T120-D122 VanDerWaalsContact C-N 3.31Å; T120-D122 PolarHBondContact O-N 3.4Å; D122-V124 PolarHBondContact O-N 2.92Å; D122-P129 HydrophobicContact CB-CG 4.3Å; D122-P129 WeakPolarHBondContact O-CD 3.48Å; D122-P129 WeakPolarHBondContact O-CG 3.43Å |
| 123 | M | 81.4 | Confident | 79.3 | Confident | 40 Ų | 40 | 70 Ų | 70 | 20% | 0.197 | 39% | 0.391 | C | S | . | . | trans | -73.4 | 129 | -176.2 | -63.2 | 178 | 75.6 | 0 | 0 | 111.5 | P111 G126 I127 Y128 | P111-M123 HydrophobicContact CB-SD 4.23Å; M123-G126 WeakPolarHBondContact CE-O 3.4Å; M123-I127 WeakPolarHBondContact CA-O 3.45Å; M123-Y128 HydrophobicContact CE-CD2 4.25Å; M123-Y128 HydrophobicContact CE-CE1 4.42Å; M123-Y128 HydrophobicContact CE-CE2 3.92Å; M123-Y128 HydrophobicContact CG-CD1 3.47Å; M123-Y128 VanDerWaalsContact CG-CD1 3.47Å; M123-Y128 HydrophobicContact CG-CE1 3.42Å; M123-Y128 VanDerWaalsContact CG-CE1 3.42Å; M123-Y128 HydrophobicContact CG-CE2 4.49Å; M123-Y128 HydrophobicContact CG-CG 4.06Å; M123-Y128 HydrophobicContact SD-CD1 4.16Å; M123-Y128 HydrophobicContact SD-CE1 3.56Å; M123-Y128 VanDerWaalsContact SD-CE1 3.56Å; M123-Y128 HydrophobicContact SD-CE2 4.02Å | ||
| 124 | V | 79.6 | Confident | 80.2 | Confident | 87 Ų | 87 | 60.2 Ų | 60.2 | 53% | 0.527 | 35% | 0.345 | S | S | . | . | B | Isolated β-bridge | trans | -108.8 | 117 | 173.5 | -179.8 | 0 | 0 | 0 | 0 | 109.1 | D122 G126 I127 R132 | D122-V124 PolarHBondContact O-N 2.92Å; V124-G126 PolarHBondContact O-N 3.39Å; V124-I127 PolarHBondContact N-O 3.1Å; V124-I127 PolarHBondContact O-N 3.31Å; V124-R132 PolarHBondContact O-NH2 2.95Å |
| 125 | S | 82.3 | Confident | 81.1 | Confident | 56 Ų | 56 | 56.3 Ų | 56.3 | 39% | 0.392 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 32.8 | -174.5 | -61.3 | 0 | 0 | 0 | 0 | 113.9 | K107 | K107-S125 PolarHBondContact NZ-O 3.41Š|
| 126 | G | 85.9 | Confident | 81.9 | Confident | 31 Ų | 31 | 57.8 Ų | 57.8 | 32% | 0.32 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.9 | 20.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | M123 V124 | M123-G126 WeakPolarHBondContact CE-O 3.4Å; V124-G126 PolarHBondContact O-N 3.39Å |
| 127 | I | 90.3 | Very high | 83 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.297 | C | S | . | . | B | Isolated β-bridge | trans | -131.6 | 135.9 | 179.1 | -54.2 | 175.3 | 0 | 0 | 0 | 109 | V46 L103 K107 M123 V124 Q131 R132 | V46-I127 HydrophobicContact CB-CD1 4.12Å; V46-I127 HydrophobicContact CG1-CD1 4.19Å; L103-I127 HydrophobicContact CB-CD1 4.09Å; L103-I127 HydrophobicContact CD2-CD1 4.17Å; L103-I127 HydrophobicContact CD2-CG2 4.1Å; L103-I127 WeakPolarHBondContact O-CD1 3.29Å; K107-I127 HydrophobicContact CB-CD1 4.01Å; K107-I127 HydrophobicContact CB-CG1 3.82Å; K107-I127 HydrophobicContact CG-CG1 4.31Å; M123-I127 WeakPolarHBondContact CA-O 3.45Å; V124-I127 PolarHBondContact N-O 3.1Å; V124-I127 PolarHBondContact O-N 3.31Å; I127-Q131 HydrophobicContact CG2-CB 3.88Å; I127-R132 HydrophobicContact CG2-CG 3.84Å |
| 128 | Y | 90.8 | Very high | 84.3 | Confident | 9 Ų | 9 | 47.8 Ų | 47.8 | 4% | 0.035 | 26% | 0.263 | C | S | . | . | trans | -71.6 | 147.3 | 177 | -65.1 | -77.2 | 0 | 0 | 0 | 111.9 | L119 M123 S130 Q131 R132 A256 | L119-Y128 HydrophobicContact CB-CE1 3.84Å; L119-Y128 WeakPolarHBondContact O-CE1 3.48Å; M123-Y128 HydrophobicContact CE-CD2 4.25Å; M123-Y128 HydrophobicContact CE-CE1 4.42Å; M123-Y128 HydrophobicContact CE-CE2 3.92Å; M123-Y128 HydrophobicContact CG-CD1 3.47Å; M123-Y128 VanDerWaalsContact CG-CD1 3.47Å; M123-Y128 HydrophobicContact CG-CE1 3.42Å; M123-Y128 VanDerWaalsContact CG-CE1 3.42Å; M123-Y128 HydrophobicContact CG-CE2 4.49Å; M123-Y128 HydrophobicContact CG-CG 4.06Å; M123-Y128 HydrophobicContact SD-CD1 4.16Å; M123-Y128 HydrophobicContact SD-CE1 3.56Å; M123-Y128 VanDerWaalsContact SD-CE1 3.56Å; M123-Y128 HydrophobicContact SD-CE2 4.02Å; Y128-S130 VanDerWaalsContact C-N 3.26Å; Y128-S130 PolarHBondContact O-N 2.87Å; Y128-Q131 VanDerWaalsContact CD2-OE1 3.3Å; Y128-Q131 VanDerWaalsContact N-OE1 3.08Å; Y128-Q131 WeakPolarHBondContact O-CB 3.27Å; Y128-Q131 PolarHBondContact O-N 3.08Å; Y128-Q131 VanDerWaalsContact O-N 3.08Å; Y128-R132 PolarHBondContact O-N 3.41Å; Y128-R132 VanDerWaalsContact O-N 3.15Å; Y128-A256 HydrophobicContact CD2-CB 3.83Å; Y128-A256 HydrophobicContact CE2-CB 3.62Å | ||
| 129 | P | 89.4 | Confident | 85.5 | Confident | 59 Ų | 59 | 42.1 Ų | 42.1 | 38% | 0.383 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -55.7 | -39.9 | 175.3 | -26.6 | 35.4 | 0 | 0 | 0 | 113 | D122 Q131 R132 N133 | D122-P129 HydrophobicContact CB-CG 4.3Å; D122-P129 WeakPolarHBondContact O-CD 3.48Å; D122-P129 WeakPolarHBondContact O-CG 3.43Å; P129-Q131 VanDerWaalsContact C-N 3.32Å; P129-Q131 PolarHBondContact O-N 3.46Å; P129-R132 WeakPolarHBondContact O-CB 3.48Å; P129-R132 PolarHBondContact O-N 3.16Å; P129-R132 VanDerWaalsContact O-N 3.14Å; P129-N133 PolarHBondContact O-N 3.48Å; P129-N133 PolarHBondContact O-OD1 3.43Å |
| 130 | S | 92.5 | Very high | 86.3 | Confident | 34 Ų | 34 | 40.4 Ų | 40.4 | 24% | 0.238 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.9 | -36.6 | 176.7 | 57 | 0 | 0 | 0 | 0 | 113.1 | Y128 N133 L134 L192 L255 | Y128-S130 VanDerWaalsContact C-N 3.26Å; Y128-S130 PolarHBondContact O-N 2.87Å; S130-N133 PolarHBondContact O-N 3.49Å; S130-L134 WeakPolarHBondContact O-CB 3.48Å; S130-L134 PolarHBondContact O-N 3.39Å; S130-L192 WeakPolarHBondContact O-CD2 3.39Å; S130-L255 WeakPolarHBondContact O-CD1 3.16Å |
| 131 | Q | 94.1 | Very high | 87.4 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -70.1 | -34 | 175.2 | -69.7 | 173.6 | -41.6 | 0 | 0 | 112 | S106 I127 Y128 P129 L134 A135 A252 L255 | S106-Q131 VanDerWaalsContact CB-CD 3.47Å; S106-Q131 PolarHBondContact OG-NE2 3.06Å; I127-Q131 HydrophobicContact CG2-CB 3.88Å; Y128-Q131 VanDerWaalsContact CD2-OE1 3.3Å; Y128-Q131 VanDerWaalsContact N-OE1 3.08Å; Y128-Q131 WeakPolarHBondContact O-CB 3.27Å; Y128-Q131 PolarHBondContact O-N 3.08Å; Y128-Q131 VanDerWaalsContact O-N 3.08Å; P129-Q131 VanDerWaalsContact C-N 3.32Å; P129-Q131 PolarHBondContact O-N 3.46Å; Q131-L134 PolarHBondContact O-N 3.39Å; Q131-A135 PolarHBondContact O-N 3.22Å; Q131-A252 PolarHBondContact NE2-O 3.04Å; Q131-L255 HydrophobicContact CG-CB 4.19Å; Q131-L255 HydrophobicContact CG-CD1 4.42Å |
| 132 | R | 90.9 | Very high | 88.4 | Confident | 44 Ų | 44 | 31.2 Ų | 31.2 | 17% | 0.166 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.2 | -46.2 | 172.3 | -65.7 | -176.4 | 173.7 | -84.7 | -0.2 | 111.2 | V46 L103 V124 I127 Y128 P129 L134 A135 E136 | V46-R132 PolarHBondContact O-NH2 3.36Å; L103-R132 HydrophobicContact CD2-CB 4.29Å; L103-R132 HydrophobicContact CD2-CG 3.77Å; V124-R132 PolarHBondContact O-NH2 2.95Å; I127-R132 HydrophobicContact CG2-CG 3.84Å; Y128-R132 PolarHBondContact O-N 3.41Å; Y128-R132 VanDerWaalsContact O-N 3.15Å; P129-R132 WeakPolarHBondContact O-CB 3.48Å; P129-R132 PolarHBondContact O-N 3.16Å; P129-R132 VanDerWaalsContact O-N 3.14Å; R132-L134 VanDerWaalsContact C-N 3.28Å; R132-L134 PolarHBondContact O-N 2.9Å; R132-A135 WeakPolarHBondContact O-CB 3.43Å; R132-A135 PolarHBondContact O-N 2.95Å; R132-A135 VanDerWaalsContact O-N 3.11Å; R132-E136 PolarHBondContact O-N 3.4Å |
| 133 | N | 90.7 | Very high | 88.8 | Confident | 65 Ų | 65 | 27 Ų | 27 | 35% | 0.348 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -59.6 | -39.3 | 174 | -67.9 | 3.5 | 0 | 0 | 0 | 111.4 | P129 S130 E136 I137 L192 | P129-N133 PolarHBondContact O-N 3.48Å; P129-N133 PolarHBondContact O-OD1 3.43Å; S130-N133 PolarHBondContact O-N 3.49Å; N133-E136 WeakPolarHBondContact O-CB 3.17Å; N133-E136 PolarHBondContact O-N 3.43Å; N133-I137 VanDerWaalsContact O-CD1 3.31Å; N133-I137 WeakPolarHBondContact O-CD1 3.46Å; N133-I137 VanDerWaalsContact O-CG1 3.25Å; N133-I137 WeakPolarHBondContact O-CG1 3.47Å; N133-I137 PolarHBondContact O-N 2.9Å; N133-L192 HydrophobicContact CB-CD2 3.75Å |
| 134 | L | 94.9 | Very high | 89 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64 | -40 | 174.4 | 179.4 | 65.6 | 0 | 0 | 0 | 112.7 | S130 Q131 R132 E136 I137 T138 L192 V197 I201 A251 A252 L255 | S130-L134 WeakPolarHBondContact O-CB 3.48Å; S130-L134 PolarHBondContact O-N 3.39Å; Q131-L134 PolarHBondContact O-N 3.39Å; R132-L134 VanDerWaalsContact C-N 3.28Å; R132-L134 PolarHBondContact O-N 2.9Å; L134-E136 VanDerWaalsContact C-N 3.27Å; L134-E136 PolarHBondContact O-N 3.42Å; L134-I137 PolarHBondContact O-N 3.33Å; L134-T138 WeakPolarHBondContact O-CB 2.81Å; L134-T138 PolarHBondContact O-N 2.85Å; L134-T138 PolarHBondContact O-OG1 3.09Å; L134-L192 HydrophobicContact CB-CD1 4.3Å; L134-L192 HydrophobicContact CD1-CD1 4.2Å; L134-V197 HydrophobicContact CD1-CG1 4.14Å; L134-I201 HydrophobicContact CD1-CD1 4.12Å; L134-I201 HydrophobicContact CD1-CG1 4.03Å; L134-A251 HydrophobicContact CD1-CB 4.33Å; L134-A251 HydrophobicContact CD2-CB 3.61Å; L134-A252 HydrophobicContact CD2-CB 4.03Å; L134-A252 VanDerWaalsContact CD2-N 3.34Å; L134-L255 HydrophobicContact CB-CD1 3.81Å; L134-L255 HydrophobicContact CD2-CD1 3.69Å; L134-L255 HydrophobicContact CG-CD1 4.31Å |
| 135 | A | 92.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.2 | -39.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | V102 L103 Q131 R132 T138 E139 | V102-A135 HydrophobicContact CB-CB 4.2Å; V102-A135 HydrophobicContact CG1-CB 4.03Å; L103-A135 HydrophobicContact CD1-CB 4.39Å; L103-A135 HydrophobicContact CD2-CB 3.85Å; L103-A135 HydrophobicContact CG-CB 3.77Å; Q131-A135 PolarHBondContact O-N 3.22Å; R132-A135 WeakPolarHBondContact O-CB 3.43Å; R132-A135 PolarHBondContact O-N 2.95Å; R132-A135 VanDerWaalsContact O-N 3.11Å; A135-T138 PolarHBondContact O-N 3.21Å; A135-E139 PolarHBondContact O-N 3.33Å |
| 136 | E | 86.2 | Confident | 89.6 | Confident | 49 Ų | 49 | 22.7 Ų | 22.7 | 23% | 0.229 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60.6 | -53.4 | 173 | -74 | 179.6 | -165 | 0 | 0 | 113.4 | M53 R132 N133 L134 T138 E139 L140 | M53-E136 HydrophobicContact CB-CG 4.18Å; M53-E136 VanDerWaalsContact CE-CA 3.41Å; M53-E136 HydrophobicContact CE-CB 4.07Å; M53-E136 HydrophobicContact CE-CG 3.64Å; M53-E136 HydrophobicContact CG-CG 3.45Å; M53-E136 VanDerWaalsContact CG-CG 3.45Å; M53-E136 HydrophobicContact SD-CB 4.33Å; M53-E136 HydrophobicContact SD-CG 3.32Å; M53-E136 WeakPolarHBondContact SD-CG 3.31Å; R132-E136 PolarHBondContact O-N 3.4Å; N133-E136 WeakPolarHBondContact O-CB 3.17Å; N133-E136 PolarHBondContact O-N 3.43Å; L134-E136 VanDerWaalsContact C-N 3.27Å; L134-E136 PolarHBondContact O-N 3.42Å; E136-T138 VanDerWaalsContact C-N 3.26Å; E136-T138 PolarHBondContact O-N 3.08Å; E136-E139 PolarHBondContact O-N 2.76Å; E136-L140 WeakPolarHBondContact O-CG 3.45Å; E136-L140 PolarHBondContact O-N 3.21Å |
| 137 | I | 91.3 | Very high | 89.5 | Confident | 6 Ų | 6 | 21.5 Ų | 21.5 | 3% | 0.031 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -56 | -44.6 | 176.8 | -71.3 | 157.3 | 0 | 0 | 0 | 110.9 | N133 L134 E139 L140 I141 A185 G188 L189 L192 | N133-I137 VanDerWaalsContact O-CD1 3.31Å; N133-I137 WeakPolarHBondContact O-CD1 3.46Å; N133-I137 VanDerWaalsContact O-CG1 3.25Å; N133-I137 WeakPolarHBondContact O-CG1 3.47Å; N133-I137 PolarHBondContact O-N 2.9Å; L134-I137 PolarHBondContact O-N 3.33Å; I137-E139 VanDerWaalsContact C-N 3.29Å; I137-E139 PolarHBondContact O-N 2.96Å; I137-L140 PolarHBondContact O-N 3.04Å; I137-I141 HydrophobicContact CG2-CD1 3.77Å; I137-I141 HydrophobicContact CG2-CG1 4.46Å; I137-I141 VanDerWaalsContact O-CG1 3.31Å; I137-I141 WeakPolarHBondContact O-CG1 3.37Å; I137-I141 PolarHBondContact O-N 3.38Å; I137-A185 HydrophobicContact CG2-CB 4.34Å; I137-G188 WeakPolarHBondContact CD1-O 3.32Å; I137-L189 HydrophobicContact CD1-CD2 4.22Å; I137-L189 HydrophobicContact CD1-CG 4.26Å; I137-L189 HydrophobicContact CG2-CD1 4.15Å; I137-L189 HydrophobicContact CG2-CD2 3.7Å; I137-L189 HydrophobicContact CG2-CG 3.58Å; I137-L192 HydrophobicContact CD1-CD1 3.79Å; I137-L192 HydrophobicContact CD1-CD2 4.5Å; I137-L192 HydrophobicContact CD1-CG 4.07Å |
| 138 | T | 93.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.3 | -43.5 | -179.1 | -61 | 0 | 0 | 0 | 0 | 111 | R98 L134 A135 E136 H142 L244 S248 | R98-T138 HydrophobicContact CB-CG2 3.84Å; L134-T138 WeakPolarHBondContact O-CB 2.81Å; L134-T138 PolarHBondContact O-N 2.85Å; L134-T138 PolarHBondContact O-OG1 3.09Å; A135-T138 PolarHBondContact O-N 3.21Å; E136-T138 VanDerWaalsContact C-N 3.26Å; E136-T138 PolarHBondContact O-N 3.08Å; T138-H142 PolarHBondContact O-N 3.27Å; T138-H142 VanDerWaalsContact O-N 3.09Å; T138-L244 HydrophobicContact CG2-CD1 4.42Å; T138-L244 HydrophobicContact CG2-CD2 4.43Å; T138-L244 HydrophobicContact CG2-CG 4.09Å; T138-S248 VanDerWaalsContact CG2-OG 3.28Å; T138-S248 WeakPolarHBondContact CG2-OG 2.92Å; T138-S248 VanDerWaalsContact OG1-CB 3.32Å; T138-S248 WeakPolarHBondContact OG1-CB 3.43Å; T138-S248 PolarHBondContact OG1-OG 3.41Å |
| 139 | E | 87 | Confident | 89.2 | Confident | 10 Ų | 10 | 26.6 Ų | 26.6 | 5% | 0.047 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -73.3 | -36.8 | 179.5 | -154.6 | 61.2 | -124.7 | 0 | 0 | 112.1 | M53 L95 Q96 R98 G99 A135 E136 I137 I141 H142 T143 | M53-E139 HydrophobicContact CE-CB 3.9Å; L95-E139 VanDerWaalsContact O-CD 3.3Å; L95-E139 VanDerWaalsContact O-OE1 3.09Å; Q96-E139 VanDerWaalsContact CA-OE2 3.31Å; Q96-E139 WeakPolarHBondContact CA-OE2 3.31Å; Q96-E139 HydrophobicContact CB-CG 4.26Å; Q96-E139 HydrophobicContact CG-CG 4.03Å; R98-E139 WeakPolarHBondContact CB-OE2 3.4Å; R98-E139 PolarHBondContact N-OE2 3.06Å; G99-E139 PolarHBondContact N-OE2 3.48Å; G99-E139 VanDerWaalsContact N-OE2 3.12Å; A135-E139 PolarHBondContact O-N 3.33Å; E136-E139 PolarHBondContact O-N 2.76Å; I137-E139 VanDerWaalsContact C-N 3.29Å; I137-E139 PolarHBondContact O-N 2.96Å; E139-I141 PolarHBondContact O-N 3.31Å; E139-H142 PolarHBondContact O-N 3.42Å; E139-H142 IonicContact OE1-CD2 2.84Å; E139-T143 VanDerWaalsContact O-CB 3.24Å; E139-T143 WeakPolarHBondContact O-CB 3.42Å; E139-T143 PolarHBondContact O-N 3.25Å; E139-T143 PolarHBondContact O-OG1 2.95Å |
| 140 | L | 86.3 | Confident | 88.8 | Confident | 37 Ų | 37 | 23.9 Ų | 23.9 | 19% | 0.194 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.5 | -44.1 | 173.8 | -74.8 | 171.8 | 0 | 0 | 0 | 112 | E136 I137 T143 A144 L181 A185 | E136-L140 WeakPolarHBondContact O-CG 3.45Å; E136-L140 PolarHBondContact O-N 3.21Å; I137-L140 PolarHBondContact O-N 3.04Å; L140-T143 WeakPolarHBondContact O-CB 3.34Å; L140-T143 PolarHBondContact O-N 3.14Å; L140-A144 WeakPolarHBondContact O-CB 3.31Å; L140-A144 PolarHBondContact O-N 2.91Å; L140-L181 HydrophobicContact CD2-CD2 3.83Å; L140-A185 HydrophobicContact CB-CB 4.07Å |
| 141 | I | 91.9 | Very high | 88.6 | Confident | 4 Ų | 4 | 25.3 Ų | 25.3 | 2% | 0.021 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63.3 | -46 | 176.2 | -66.6 | 166.9 | 0 | 0 | 0 | 110.4 | I137 E139 T143 A144 F145 L182 A185 L189 I201 I205 L208 L244 | I137-I141 HydrophobicContact CG2-CD1 3.77Å; I137-I141 HydrophobicContact CG2-CG1 4.46Å; I137-I141 VanDerWaalsContact O-CG1 3.31Å; I137-I141 WeakPolarHBondContact O-CG1 3.37Å; I137-I141 PolarHBondContact O-N 3.38Å; E139-I141 PolarHBondContact O-N 3.31Å; I141-T143 PolarHBondContact O-N 3.15Å; I141-A144 PolarHBondContact O-N 2.64Å; I141-F145 WeakPolarHBondContact O-CB 3.37Å; I141-F145 PolarHBondContact O-N 3.48Å; I141-L182 HydrophobicContact CG1-CD1 4.29Å; I141-A185 HydrophobicContact CD1-CB 4.25Å; I141-A185 HydrophobicContact CG1-CB 3.57Å; I141-L189 HydrophobicContact CD1-CD1 4.47Å; I141-I201 HydrophobicContact CD1-CG2 3.29Å; I141-I205 HydrophobicContact CD1-CD1 4Å; I141-I205 HydrophobicContact CD1-CG1 4.24Å; I141-I205 HydrophobicContact CG1-CD1 4.44Å; I141-I205 HydrophobicContact CG2-CG1 3.87Å; I141-L208 HydrophobicContact CG2-CD1 4.31Å; I141-L244 HydrophobicContact CB-CD1 4.37Å; I141-L244 HydrophobicContact CB-CD2 4.23Å; I141-L244 HydrophobicContact CD1-CD1 4.39Å; I141-L244 HydrophobicContact CG2-CD1 4.01Å; I141-L244 HydrophobicContact CG2-CD2 3.9Å |
| 142 | H | 88.4 | Confident | 88.2 | Confident | 22 Ų | 22 | 26.7 Ų | 26.7 | 10% | 0.102 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.5 | -40.4 | 177.4 | -175.7 | 52 | 0 | 0 | 0 | 111.6 | R98 T138 E139 F145 L146 L244 | R98-H142 PolarHBondContact NH1-CD2 2.88Å; R98-H142 PolarHBondContact NH1-CE1 2.99Å; R98-H142 VanDerWaalsContact NH1-CE1 3.29Å; R98-H142 PolarHBondContact NH1-NE2 3.42Å; R98-H142 PolarHBondContact NH2-CE1 2.93Å; R98-H142 VanDerWaalsContact NH2-CE1 3.33Å; T138-H142 PolarHBondContact O-N 3.27Å; T138-H142 VanDerWaalsContact O-N 3.09Å; E139-H142 PolarHBondContact O-N 3.42Å; E139-H142 IonicContact OE1-CD2 2.84Å; H142-F145 WeakPolarHBondContact O-CB 3.1Å; H142-F145 PolarHBondContact O-N 3.44Å; H142-L146 WeakPolarHBondContact O-CG 3.38Å; H142-L146 PolarHBondContact O-N 3.33Å; H142-L244 HydrophobicContact CB-CD2 3.9Å |
| 143 | T | 84.3 | Confident | 88 | Confident | 13 Ų | 13 | 28.6 Ų | 28.6 | 8% | 0.08 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.5 | -48.3 | 178.2 | -60.8 | 0 | 0 | 0 | 0 | 111.7 | F87 E139 L140 I141 F145 L146 V147 L181 | F87-T143 HydrophobicContact CE1-CG2 3.33Å; F87-T143 HydrophobicContact CZ-CG2 3.27Å; E139-T143 VanDerWaalsContact O-CB 3.24Å; E139-T143 WeakPolarHBondContact O-CB 3.42Å; E139-T143 PolarHBondContact O-N 3.25Å; E139-T143 PolarHBondContact O-OG1 2.95Å; L140-T143 WeakPolarHBondContact O-CB 3.34Å; L140-T143 PolarHBondContact O-N 3.14Å; I141-T143 PolarHBondContact O-N 3.15Å; T143-F145 VanDerWaalsContact C-N 3.26Å; T143-F145 PolarHBondContact O-N 3.28Å; T143-L146 PolarHBondContact O-N 3.5Å; T143-V147 WeakPolarHBondContact O-CG2 3.37Å; T143-V147 PolarHBondContact O-N 3.34Å; T143-L181 HydrophobicContact CG2-CD1 3.62Å |
| 144 | A | 87.2 | Confident | 87.8 | Confident | 2 Ų | 2 | 28.2 Ų | 28.2 | 2% | 0.017 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -54.4 | -46.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111 | L140 I141 L146 V147 H148 G178 L181 L182 | L140-A144 WeakPolarHBondContact O-CB 3.31Å; L140-A144 PolarHBondContact O-N 2.91Å; I141-A144 PolarHBondContact O-N 2.64Å; A144-L146 PolarHBondContact O-N 2.81Å; A144-V147 PolarHBondContact O-N 3.3Å; A144-H148 PolarHBondContact O-N 3.43Å; A144-G178 WeakPolarHBondContact CB-O 3.44Å; A144-L181 HydrophobicContact CB-CB 3.75Å; A144-L181 HydrophobicContact CB-CD1 4.49Å; A144-L182 HydrophobicContact CB-CB 4.24Å |
| 145 | F | 89.1 | Confident | 87.4 | Confident | 26 Ų | 26 | 37.7 Ų | 37.7 | 11% | 0.114 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.4 | -44.2 | 177.6 | 178.7 | -105.5 | 0 | 0 | 0 | 112.8 | I141 H142 T143 H148 R149 L208 I212 | I141-F145 WeakPolarHBondContact O-CB 3.37Å; I141-F145 PolarHBondContact O-N 3.48Å; H142-F145 WeakPolarHBondContact O-CB 3.1Å; H142-F145 PolarHBondContact O-N 3.44Å; T143-F145 VanDerWaalsContact C-N 3.26Å; T143-F145 PolarHBondContact O-N 3.28Å; F145-H148 PolarHBondContact O-N 3.24Å; F145-R149 HydrophobicContact CE1-CG 4.41Å; F145-R149 HydrophobicContact CZ-CG 4.38Å; F145-R149 WeakPolarHBondContact O-CG 3.34Å; F145-R149 PolarHBondContact O-N 2.96Å; F145-L208 HydrophobicContact CD2-CB 4.18Å; F145-L208 HydrophobicContact CE1-CD2 4.46Å; F145-L208 HydrophobicContact CE2-CB 3.94Å; F145-L208 HydrophobicContact CE2-CD2 4.48Å; F145-L208 HydrophobicContact CZ-CD2 4.28Å; F145-I212 HydrophobicContact CE2-CD1 3.97Å; F145-I212 HydrophobicContact CE2-CG1 3.47Å; F145-I212 VanDerWaalsContact CE2-CG1 3.47Å; F145-I212 HydrophobicContact CZ-CD1 3.62Å; F145-I212 HydrophobicContact CZ-CG1 3.64Å |
| 146 | L | 84.4 | Confident | 87 | Confident | 64 Ų | 64 | 43.8 Ų | 43.8 | 34% | 0.335 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.4 | -42.2 | 176.1 | -69.8 | -179.5 | 0 | 0 | 0 | 112.3 | T83 H142 T143 A144 R149 G150 | T83-L146 HydrophobicContact CG2-CB 4.18Å; H142-L146 WeakPolarHBondContact O-CG 3.38Å; H142-L146 PolarHBondContact O-N 3.33Å; T143-L146 PolarHBondContact O-N 3.5Å; A144-L146 PolarHBondContact O-N 2.81Å; L146-R149 PolarHBondContact O-N 2.75Å; L146-G150 PolarHBondContact O-N 3.19Å |
| 147 | V | 84.6 | Confident | 87.1 | Confident | 6 Ų | 6 | 45.1 Ų | 45.1 | 4% | 0.036 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.4 | -47.8 | 177.5 | 168.8 | 0 | 0 | 0 | 0 | 110.7 | L80 T83 T143 A144 R149 G150 A174 L181 | L80-V147 HydrophobicContact CD1-CG1 3.87Å; L80-V147 HydrophobicContact CD1-CG2 4.44Å; T83-V147 HydrophobicContact CG2-CG2 3.78Å; T143-V147 WeakPolarHBondContact O-CG2 3.37Å; T143-V147 PolarHBondContact O-N 3.34Å; A144-V147 PolarHBondContact O-N 3.3Å; V147-R149 PolarHBondContact O-N 3.24Å; V147-G150 WeakPolarHBondContact O-CA 3.3Å; V147-G150 PolarHBondContact O-N 3.04Å; V147-A174 HydrophobicContact CG1-CB 4.49Å; V147-A174 VanDerWaalsContact CG1-O 3.24Å; V147-A174 WeakPolarHBondContact CG1-O 3.44Å; V147-L181 HydrophobicContact CG2-CD1 4.35Å |
| 148 | H | 89.3 | Confident | 86.7 | Confident | 53 Ų | 53 | 47.4 Ų | 47.4 | 25% | 0.245 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.2 | -36.8 | 176.6 | -76.1 | 162.9 | 0 | 0 | 0 | 113.2 | A144 F145 G150 I151 A174 V175 G178 D179 | A144-H148 PolarHBondContact O-N 3.43Å; F145-H148 PolarHBondContact O-N 3.24Å; H148-G150 PolarHBondContact O-N 2.9Å; H148-G150 VanDerWaalsContact O-N 3.17Å; H148-I151 WeakPolarHBondContact O-CD1 3.41Å; H148-I151 VanDerWaalsContact O-CG1 3.25Å; H148-I151 WeakPolarHBondContact O-CG1 3.36Å; H148-I151 PolarHBondContact O-N 2.86Å; H148-A174 PolarHBondContact CD2-O 2.79Å; H148-V175 PolarHBondContact NE2-O 2.89Å; H148-V175 VanDerWaalsContact NE2-O 3.14Å; H148-G178 WeakPolarHBondContact NE2-CA 3.38Å; H148-D179 IonicContact CE1-OD1 3.16Å; H148-D179 PolarHBondContact CE1-OD1 3.35Å; H148-D179 PolarHBondContact NE2-N 2.54Å; H148-D179 IonicContact NE2-OD1 2.95Å; H148-D179 PolarHBondContact NE2-OD1 2.75Å |
| 149 | R | 84.4 | Confident | 86.3 | Confident | 63 Ų | 63 | 53.2 Ų | 53.2 | 24% | 0.238 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.1 | -17.7 | 173.8 | -73.3 | -173.1 | 85.2 | -162.8 | 10.8 | 113.3 | F145 L146 V147 I151 I212 E215 | F145-R149 HydrophobicContact CE1-CG 4.41Å; F145-R149 HydrophobicContact CZ-CG 4.38Å; F145-R149 WeakPolarHBondContact O-CG 3.34Å; F145-R149 PolarHBondContact O-N 2.96Å; L146-R149 PolarHBondContact O-N 2.75Å; V147-R149 PolarHBondContact O-N 3.24Å; R149-I151 PolarHBondContact O-N 2.78Å; R149-I212 HydrophobicContact CG-CD1 4.32Å; R149-E215 IonicContact CZ-OE2 3.67Å; R149-E215 IonicContact NH2-OE1 3.85Å; R149-E215 PolarHBondContact NH2-OE1 3.14Å; R149-E215 IonicContact NH2-OE2 3.27Å; R149-E215 PolarHBondContact NH2-OE2 3.08Å |
| 150 | G | 82 | Confident | 86.2 | Confident | 2 Ų | 2 | 56 Ų | 56 | 2% | 0.021 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -0.3 | 176 | 0 | 0 | 0 | 0 | 0 | 115.5 | H78 L146 V147 H148 | H78-G150 PolarHBondContact CE1-O 2.91Å; L146-G150 PolarHBondContact O-N 3.19Å; V147-G150 WeakPolarHBondContact O-CA 3.3Å; V147-G150 PolarHBondContact O-N 3.04Å; H148-G150 PolarHBondContact O-N 2.9Å; H148-G150 VanDerWaalsContact O-N 3.17Å |
| 151 | I | 88.3 | Confident | 86.1 | Confident | 64 Ų | 64 | 56 Ų | 56 | 33% | 0.328 | 29% | 0.285 | S | S | . | . | trans | -69.1 | 128.3 | 175.3 | -64.8 | 166.2 | 0 | 0 | 0 | 110.1 | H148 R149 N171 A174 V175 | H148-I151 WeakPolarHBondContact O-CD1 3.41Å; H148-I151 VanDerWaalsContact O-CG1 3.25Å; H148-I151 WeakPolarHBondContact O-CG1 3.36Å; H148-I151 PolarHBondContact O-N 2.86Å; R149-I151 PolarHBondContact O-N 2.78Å; I151-N171 WeakPolarHBondContact CA-OD1 3.38Å; I151-A174 HydrophobicContact CG1-CB 3.82Å; I151-V175 HydrophobicContact CD1-CG2 3.5Å; I151-V175 VanDerWaalsContact CD1-CG2 3.5Å; I151-V175 HydrophobicContact CG1-CG2 4.24Å | ||
| 152 | V | 85.4 | Confident | 85.9 | Confident | 31 Ų | 31 | 56.3 Ų | 56.3 | 19% | 0.188 | 29% | 0.289 | C | S | . | . | trans | -93 | 144 | -179 | -60.5 | 0 | 0 | 0 | 0 | 112.6 | P79 L154 M167 N171 | P79-V152 HydrophobicContact CG-CG1 3.67Å; V152-L154 HydrophobicContact CG2-CD2 3.68Å; V152-L154 HydrophobicContact CG2-CG 4.39Å; V152-L154 PolarHBondContact O-N 3.05Å; V152-M167 HydrophobicContact CB-CE 4.47Å; V152-M167 HydrophobicContact CG1-CE 4.03Å; V152-M167 HydrophobicContact CG2-CE 3.96Å; V152-N171 VanDerWaalsContact CG2-OD1 3.27Å; V152-N171 WeakPolarHBondContact CG2-OD1 3.33Å; V152-N171 PolarHBondContact N-OD1 3.09Å; V152-N171 PolarHBondContact O-ND2 2.94Å | ||
| 153 | N | 85.8 | Confident | 86.1 | Confident | 84 Ų | 84 | 58.8 Ų | 58.8 | 45% | 0.449 | 31% | 0.307 | S | S | . | . | trans | -78.4 | 101.4 | 168.8 | -177.6 | 7.9 | 0 | 0 | 0 | 110 | K155 E156 | N153-K155 PolarHBondContact O-N 3.16Å; N153-K155 VanDerWaalsContact O-N 3.11Å; N153-K155 WeakPolarHBondContact OD1-CB 3.37Å; N153-K155 PolarHBondContact OD1-N 3.09Å; N153-K155 VanDerWaalsContact OD1-N 3.16Å; N153-E156 PolarHBondContact ND2-OE1 2.97Å; N153-E156 PolarHBondContact O-N 3.43Å; N153-E156 VanDerWaalsContact O-N 3.08Å | ||
| 154 | L | 88.2 | Confident | 86.5 | Confident | 57 Ų | 57 | 61.5 Ų | 61.5 | 30% | 0.298 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -65.9 | -13.6 | -177.8 | -61.5 | 174 | 0 | 0 | 0 | 113.9 | V152 E156 W157 L164 M167 E168 | V152-L154 HydrophobicContact CG2-CD2 3.68Å; V152-L154 HydrophobicContact CG2-CG 4.39Å; V152-L154 PolarHBondContact O-N 3.05Å; L154-E156 VanDerWaalsContact C-N 3.29Å; L154-W157 WeakPolarHBondContact O-CB 3.47Å; L154-L164 HydrophobicContact CD2-CD1 4.14Å; L154-M167 HydrophobicContact CD2-CB 3.88Å; L154-E168 HydrophobicContact CD1-CG 3.58Å |
| 155 | K | 86.7 | Confident | 86.7 | Confident | 198 Ų | 198 | 69.3 Ų | 69.3 | 86% | 0.861 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -71.1 | -25.7 | 173 | -63.7 | -178 | 179.2 | 178.8 | 0 | 112.9 | N153 | N153-K155 PolarHBondContact O-N 3.16Å; N153-K155 VanDerWaalsContact O-N 3.11Å; N153-K155 WeakPolarHBondContact OD1-CB 3.37Å; N153-K155 PolarHBondContact OD1-N 3.09Å; N153-K155 VanDerWaalsContact OD1-N 3.16Å |
| 156 | E | 82.6 | Confident | 86.8 | Confident | 129 Ų | 129 | 70.8 Ų | 70.8 | 60% | 0.603 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -101.3 | 6.5 | -179.8 | -68.9 | 171.8 | -139.1 | 0 | 0 | 112.3 | N153 L154 | N153-E156 PolarHBondContact ND2-OE1 2.97Å; N153-E156 PolarHBondContact O-N 3.43Å; N153-E156 VanDerWaalsContact O-N 3.08Å; L154-E156 VanDerWaalsContact C-N 3.29Å |
| 157 | W | 88.4 | Confident | 87.1 | Confident | 76 Ų | 76 | 68 Ų | 68 | 29% | 0.288 | 35% | 0.348 | S | S | . | . | trans | -64.8 | 147 | -177.8 | 170.1 | 84.4 | 0 | 0 | 0 | 112.6 | L154 V159 G162 L164 | L154-W157 WeakPolarHBondContact O-CB 3.47Å; W157-V159 HydrophobicContact CH2-CG2 3.97Å; W157-G162 VanDerWaalsContact CE2-O 3.3Å; W157-G162 WeakPolarHBondContact CZ2-O 3.28Å; W157-G162 PolarHBondContact NE1-O 3.01Å; W157-L164 HydrophobicContact CD2-CD1 4.11Å; W157-L164 HydrophobicContact CE3-CD1 4.37Å; W157-L164 HydrophobicContact CG-CD1 4.31Å; W157-L164 HydrophobicContact CH2-CB 4.25Å; W157-L164 HydrophobicContact CZ2-CB 4.09Å | ||
| 158 | T | 82.4 | Confident | 87.5 | Confident | 54 Ų | 54 | 72.1 Ų | 72.1 | 33% | 0.331 | 37% | 0.367 | S | S | . | . | trans | -130.8 | 157.3 | 176 | 67.7 | 0 | 0 | 0 | 0 | 111.4 | S160 D161 | T158-S160 PolarHBondContact O-N 3.11Å; T158-S160 VanDerWaalsContact O-N 3.08Å; T158-S160 PolarHBondContact OG1-OG 3.21Å; T158-D161 WeakPolarHBondContact CA-OD2 3.47Å; T158-D161 PolarHBondContact N-OD2 3.26Å; T158-D161 WeakPolarHBondContact O-CB 3.36Å; T158-D161 PolarHBondContact O-N 2.98Å; T158-D161 PolarHBondContact OG1-OD2 3.38Å | ||
| 159 | V | 84.9 | Confident | 87.6 | Confident | 122 Ų | 122 | 72.2 Ų | 72.2 | 74% | 0.739 | 37% | 0.367 | S | S | * | . | G | 310 helix | trans | -58.2 | -27.1 | 177.8 | -178.2 | 0 | 0 | 0 | 0 | 112.4 | W157 D161 G162 | W157-V159 HydrophobicContact CH2-CG2 3.97Å; V159-D161 PolarHBondContact O-N 3.45Å; V159-G162 PolarHBondContact O-N 3.22Å |
| 160 | S | 85.1 | Confident | 87.8 | Confident | 70 Ų | 70 | 69.2 Ų | 69.2 | 49% | 0.49 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | -67.9 | -15.8 | 175.1 | 37.8 | 0 | 0 | 0 | 0 | 114.6 | Q77 T158 G162 | Q77-S160 PolarHBondContact NE2-O 3.45Å; T158-S160 PolarHBondContact O-N 3.11Å; T158-S160 VanDerWaalsContact O-N 3.08Å; T158-S160 PolarHBondContact OG1-OG 3.21Å; S160-G162 VanDerWaalsContact C-N 3.32Å |
| 161 | D | 83.7 | Confident | 88.3 | Confident | 36 Ų | 36 | 70.2 Ų | 70.2 | 19% | 0.193 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -81.4 | -16.2 | 177.1 | -56.4 | -48.6 | 0 | 0 | 0 | 112.1 | T76 Q77 T158 V159 M167 | T76-D161 CarbonylContact C-O 3.44Å; T76-D161 WeakPolarHBondContact CA-O 3.04Å; T76-D161 WeakPolarHBondContact CB-O 3.34Å; Q77-D161 PolarHBondContact N-O 2.76Å; T158-D161 WeakPolarHBondContact CA-OD2 3.47Å; T158-D161 PolarHBondContact N-OD2 3.26Å; T158-D161 WeakPolarHBondContact O-CB 3.36Å; T158-D161 PolarHBondContact O-N 2.98Å; T158-D161 PolarHBondContact OG1-OD2 3.38Å; V159-D161 PolarHBondContact O-N 3.45Å; D161-M167 HydrophobicContact CB-CE 4.03Å; D161-M167 HydrophobicContact CB-SD 4.39Å; D161-M167 VanDerWaalsContact O-SD 3.37Å |
| 162 | G | 89.2 | Confident | 88.4 | Confident | 11 Ų | 11 | 73.7 Ų | 73.7 | 11% | 0.113 | 37% | 0.374 | C | S | . | . | trans | 111.5 | 172.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | W157 V159 S160 L164 | W157-G162 VanDerWaalsContact CE2-O 3.3Å; W157-G162 WeakPolarHBondContact CZ2-O 3.28Å; W157-G162 PolarHBondContact NE1-O 3.01Å; V159-G162 PolarHBondContact O-N 3.22Å; S160-G162 VanDerWaalsContact C-N 3.32Å; G162-L164 PolarHBondContact O-N 3.44Å | ||
| 163 | P | 92.4 | Very high | 88.5 | Confident | 74 Ų | 74 | 73 Ų | 73 | 48% | 0.481 | 37% | 0.368 | S | S | . | . | trans | -57.6 | 135.5 | -174.8 | -23.9 | 35 | 0 | 0 | 0 | 112.4 | K165 D166 M167 | P163-K165 PolarHBondContact O-N 3.28Å; P163-K165 VanDerWaalsContact O-N 3.15Å; P163-D166 HydrophobicContact CB-CB 4.42Å; P163-D166 VanDerWaalsContact CG-OD2 3.32Å; P163-D166 WeakPolarHBondContact CG-OD2 3.45Å; P163-D166 WeakPolarHBondContact O-CB 3.34Å; P163-D166 PolarHBondContact O-N 3.17Å; P163-M167 PolarHBondContact O-N 3.27Å; P163-M167 VanDerWaalsContact O-N 3.08Å | ||
| 164 | L | 91.6 | Very high | 88.7 | Confident | 70 Ų | 70 | 69 Ų | 69 | 37% | 0.366 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -52.6 | -42.2 | -177.2 | 179.8 | 62.7 | 0 | 0 | 0 | 112.7 | L154 W157 G162 D166 M167 E168 | L154-L164 HydrophobicContact CD2-CD1 4.14Å; W157-L164 HydrophobicContact CD2-CD1 4.11Å; W157-L164 HydrophobicContact CE3-CD1 4.37Å; W157-L164 HydrophobicContact CG-CD1 4.31Å; W157-L164 HydrophobicContact CH2-CB 4.25Å; W157-L164 HydrophobicContact CZ2-CB 4.09Å; G162-L164 PolarHBondContact O-N 3.44Å; L164-D166 VanDerWaalsContact C-N 3.28Å; L164-D166 PolarHBondContact O-N 3.45Å; L164-M167 PolarHBondContact O-N 3.45Å; L164-M167 VanDerWaalsContact O-N 3.14Å; L164-E168 HydrophobicContact CD1-CG 4.43Å; L164-E168 HydrophobicContact CG-CG 4.46Å; L164-E168 WeakPolarHBondContact O-CG 3.44Å; L164-E168 PolarHBondContact O-N 2.9Å |
| 165 | K | 91.9 | Very high | 88.8 | Confident | 166 Ų | 166 | 69 Ų | 69 | 72% | 0.722 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -60 | -36.7 | 177.7 | -68.5 | -173.9 | 177.7 | -178.1 | 0 | 112.9 | P163 F169 | P163-K165 PolarHBondContact O-N 3.28Å; P163-K165 VanDerWaalsContact O-N 3.15Å; K165-F169 VanDerWaalsContact O-CB 3.27Å; K165-F169 WeakPolarHBondContact O-CB 3.29Å; K165-F169 PolarHBondContact O-N 3.13Å |
| 166 | D | 91.1 | Very high | 88.9 | Confident | 57 Ų | 57 | 64 Ų | 64 | 31% | 0.305 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -74.8 | -34.6 | 178.7 | -61.1 | -22.6 | 0 | 0 | 0 | 110.4 | L73 T76 P163 L164 F169 G170 | L73-D166 WeakPolarHBondContact CD2-O 3.25Å; T76-D166 HydrophobicContact CG2-CB 3.77Å; P163-D166 HydrophobicContact CB-CB 4.42Å; P163-D166 VanDerWaalsContact CG-OD2 3.32Å; P163-D166 WeakPolarHBondContact CG-OD2 3.45Å; P163-D166 WeakPolarHBondContact O-CB 3.34Å; P163-D166 PolarHBondContact O-N 3.17Å; L164-D166 VanDerWaalsContact C-N 3.28Å; L164-D166 PolarHBondContact O-N 3.45Å; D166-F169 PolarHBondContact O-N 2.95Å; D166-G170 PolarHBondContact O-N 3Å |
| 167 | M | 91.8 | Very high | 89 | Confident | 4 Ų | 4 | 58.1 Ų | 58.1 | 2% | 0.02 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.6 | -42.4 | 173.9 | -59.1 | -58.8 | -69.7 | 0 | 0 | 112.2 | T76 H78 V152 L154 D161 P163 L164 F169 G170 N171 | T76-M167 HydrophobicContact CG2-SD 4.48Å; H78-M167 HydrophobicContact CB-CE 4.14Å; H78-M167 HydrophobicContact CB-SD 3.96Å; V152-M167 HydrophobicContact CB-CE 4.47Å; V152-M167 HydrophobicContact CG1-CE 4.03Å; V152-M167 HydrophobicContact CG2-CE 3.96Å; L154-M167 HydrophobicContact CD2-CB 3.88Å; D161-M167 HydrophobicContact CB-CE 4.03Å; D161-M167 HydrophobicContact CB-SD 4.39Å; D161-M167 VanDerWaalsContact O-SD 3.37Å; P163-M167 PolarHBondContact O-N 3.27Å; P163-M167 VanDerWaalsContact O-N 3.08Å; L164-M167 PolarHBondContact O-N 3.45Å; L164-M167 VanDerWaalsContact O-N 3.14Å; M167-F169 VanDerWaalsContact C-N 3.35Å; M167-G170 PolarHBondContact O-N 3.13Å; M167-N171 PolarHBondContact O-N 3.49Å |
| 168 | E | 92.3 | Very high | 89 | Confident | 93 Ų | 93 | 54.5 Ų | 54.5 | 44% | 0.435 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.7 | -44.2 | 171.9 | -74.1 | 173.5 | 156.5 | 0 | 0 | 111.7 | L154 L164 G170 N171 K172 | L154-E168 HydrophobicContact CD1-CG 3.58Å; L164-E168 HydrophobicContact CD1-CG 4.43Å; L164-E168 HydrophobicContact CG-CG 4.46Å; L164-E168 WeakPolarHBondContact O-CG 3.44Å; L164-E168 PolarHBondContact O-N 2.9Å; E168-G170 VanDerWaalsContact C-N 3.32Å; E168-G170 PolarHBondContact O-N 2.74Å; E168-N171 PolarHBondContact O-N 3.29Å; E168-K172 PolarHBondContact O-N 2.89Å |
| 169 | F | 90.4 | Very high | 89.4 | Confident | 56 Ų | 56 | 55.7 Ų | 55.7 | 25% | 0.246 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.4 | -42.8 | 175 | 179.3 | -101.3 | 0 | 0 | 0 | 111.4 | H69 K72 L73 K165 D166 M167 N171 K172 M173 | H69-F169 HydrophobicContact CB-CE1 4.23Å; H69-F169 HydrophobicContact CB-CZ 3.92Å; K72-F169 HydrophobicContact CB-CE1 4.11Å; K72-F169 HydrophobicContact CD-CE1 4.11Å; K72-F169 HydrophobicContact CD-CZ 4.18Å; L73-F169 HydrophobicContact CD2-CD1 3.97Å; K165-F169 VanDerWaalsContact O-CB 3.27Å; K165-F169 WeakPolarHBondContact O-CB 3.29Å; K165-F169 PolarHBondContact O-N 3.13Å; D166-F169 PolarHBondContact O-N 2.95Å; M167-F169 VanDerWaalsContact C-N 3.35Å; F169-N171 VanDerWaalsContact C-N 3.35Å; F169-N171 PolarHBondContact O-N 3.19Å; F169-K172 WeakPolarHBondContact O-CB 3.28Å; F169-K172 PolarHBondContact O-N 2.95Å; F169-M173 HydrophobicContact CD1-CG 4.22Å; F169-M173 HydrophobicContact CE1-CG 3.71Å; F169-M173 HydrophobicContact CE1-SD 4.49Å; F169-M173 HydrophobicContact CE2-CG 4.21Å; F169-M173 HydrophobicContact CE2-SD 4.26Å; F169-M173 HydrophobicContact CZ-CG 3.7Å; F169-M173 HydrophobicContact CZ-SD 3.9Å; F169-M173 WeakPolarHBondContact O-CG 3.37Å; F169-M173 PolarHBondContact O-N 3.12Å |
| 170 | G | 89.4 | Confident | 89.5 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.6 | -41.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | H78 D166 M167 E168 M173 A174 | H78-G170 PolarHBondContact CE1-O 3.4Å; H78-G170 WeakPolarHBondContact NE2-CA 3.48Å; D166-G170 PolarHBondContact O-N 3Å; M167-G170 PolarHBondContact O-N 3.13Å; E168-G170 VanDerWaalsContact C-N 3.32Å; E168-G170 PolarHBondContact O-N 2.74Å; G170-M173 PolarHBondContact O-N 3.46Å; G170-A174 WeakPolarHBondContact O-CB 3.34Å; G170-A174 PolarHBondContact O-N 2.98Å |
| 171 | N | 92.3 | Very high | 89.5 | Confident | 23 Ų | 23 | 50 Ų | 50 | 12% | 0.123 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.8 | -45.7 | 174.2 | -86.3 | -5.4 | 0 | 0 | 0 | 111.6 | H78 I151 V152 M167 E168 F169 M173 A174 V175 | H78-N171 PolarHBondContact NE2-N 3.35Å; H78-N171 VanDerWaalsContact NE2-N 3.16Å; H78-N171 PolarHBondContact NE2-OD1 3.45Å; I151-N171 WeakPolarHBondContact CA-OD1 3.38Å; V152-N171 VanDerWaalsContact CG2-OD1 3.27Å; V152-N171 WeakPolarHBondContact CG2-OD1 3.33Å; V152-N171 PolarHBondContact N-OD1 3.09Å; V152-N171 PolarHBondContact O-ND2 2.94Å; M167-N171 PolarHBondContact O-N 3.49Å; E168-N171 PolarHBondContact O-N 3.29Å; F169-N171 VanDerWaalsContact C-N 3.35Å; F169-N171 PolarHBondContact O-N 3.19Å; N171-M173 VanDerWaalsContact C-N 3.31Å; N171-M173 PolarHBondContact O-N 3.37Å; N171-A174 PolarHBondContact O-N 3.06Å; N171-V175 WeakPolarHBondContact O-CG2 3.34Å; N171-V175 PolarHBondContact O-N 3.13Å |
| 172 | K | 91.5 | Very high | 89.8 | Confident | 137 Ų | 137 | 50.5 Ų | 50.5 | 60% | 0.596 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -59.5 | -43.7 | 176.8 | -175.9 | 175.5 | -178.9 | 177.1 | 0 | 111.5 | E168 F169 L176 | E168-K172 PolarHBondContact O-N 2.89Å; F169-K172 WeakPolarHBondContact O-CB 3.28Å; F169-K172 PolarHBondContact O-N 2.95Å; K172-L176 HydrophobicContact CG-CD1 4.01Å; K172-L176 WeakPolarHBondContact O-CG 3.32Å; K172-L176 PolarHBondContact O-N 3.29Å; K172-L176 VanDerWaalsContact O-N 3.15Å |
| 173 | M | 87.8 | Confident | 89.9 | Confident | 15 Ų | 15 | 52.5 Ų | 52.5 | 7% | 0.074 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.3 | -41.2 | 177.3 | -69.8 | -52.3 | -49.7 | 0 | 0 | 112.1 | V66 H69 L80 F169 G170 N171 V175 L176 S177 | V66-M173 HydrophobicContact CG2-CE 4.49Å; H69-M173 HydrophobicContact CB-CE 3.64Å; H69-M173 HydrophobicContact CB-CG 4.19Å; H69-M173 HydrophobicContact CB-SD 3.79Å; L80-M173 HydrophobicContact CD2-CB 3.72Å; F169-M173 HydrophobicContact CD1-CG 4.22Å; F169-M173 HydrophobicContact CE1-CG 3.71Å; F169-M173 HydrophobicContact CE1-SD 4.49Å; F169-M173 HydrophobicContact CE2-CG 4.21Å; F169-M173 HydrophobicContact CE2-SD 4.26Å; F169-M173 HydrophobicContact CZ-CG 3.7Å; F169-M173 HydrophobicContact CZ-SD 3.9Å; F169-M173 WeakPolarHBondContact O-CG 3.37Å; F169-M173 PolarHBondContact O-N 3.12Å; G170-M173 PolarHBondContact O-N 3.46Å; N171-M173 VanDerWaalsContact C-N 3.31Å; N171-M173 PolarHBondContact O-N 3.37Å; M173-V175 PolarHBondContact O-N 3.31Å; M173-L176 PolarHBondContact O-N 3.49Å; M173-S177 WeakPolarHBondContact O-CB 3.42Å; M173-S177 PolarHBondContact O-N 2.93Å; M173-S177 PolarHBondContact O-OG 3.01Å |
| 174 | A | 88.3 | Confident | 89.6 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.9 | -45.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L80 V147 H148 I151 G170 N171 G178 | L80-A174 HydrophobicContact CD1-CB 4.42Å; L80-A174 HydrophobicContact CD2-CB 4.42Å; V147-A174 HydrophobicContact CG1-CB 4.49Å; V147-A174 VanDerWaalsContact CG1-O 3.24Å; V147-A174 WeakPolarHBondContact CG1-O 3.44Å; H148-A174 PolarHBondContact CD2-O 2.79Å; I151-A174 HydrophobicContact CG1-CB 3.82Å; G170-A174 WeakPolarHBondContact O-CB 3.34Å; G170-A174 PolarHBondContact O-N 2.98Å; N171-A174 PolarHBondContact O-N 3.06Å; A174-G178 PolarHBondContact O-N 3.38Å; A174-G178 VanDerWaalsContact O-N 3.11Å |
| 175 | V | 91.8 | Very high | 89.6 | Confident | 59 Ų | 59 | 48.9 Ų | 48.9 | 36% | 0.358 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -60 | -56.5 | 176.1 | 175.1 | 0 | 0 | 0 | 0 | 110.9 | H148 I151 N171 M173 S177 G178 D179 | H148-V175 PolarHBondContact NE2-O 2.89Å; H148-V175 VanDerWaalsContact NE2-O 3.14Å; I151-V175 HydrophobicContact CD1-CG2 3.5Å; I151-V175 VanDerWaalsContact CD1-CG2 3.5Å; I151-V175 HydrophobicContact CG1-CG2 4.24Å; N171-V175 WeakPolarHBondContact O-CG2 3.34Å; N171-V175 PolarHBondContact O-N 3.13Å; M173-V175 PolarHBondContact O-N 3.31Å; V175-S177 PolarHBondContact O-N 2.93Å; V175-G178 PolarHBondContact O-N 3.21Å; V175-D179 VanDerWaalsContact O-CG 3.23Å; V175-D179 PolarHBondContact O-N 3.42Å |
| 176 | L | 88.4 | Confident | 89.7 | Confident | 91 Ų | 91 | 43.8 Ų | 43.8 | 48% | 0.476 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.8 | -40.8 | -174.1 | -67.6 | 173.5 | 0 | 0 | 0 | 112.9 | K172 M173 D179 F180 | K172-L176 HydrophobicContact CG-CD1 4.01Å; K172-L176 WeakPolarHBondContact O-CG 3.32Å; K172-L176 PolarHBondContact O-N 3.29Å; K172-L176 VanDerWaalsContact O-N 3.15Å; M173-L176 PolarHBondContact O-N 3.49Å; L176-D179 PolarHBondContact O-N 2.89Å; L176-F180 WeakPolarHBondContact O-CB 3.48Å; L176-F180 PolarHBondContact O-N 2.72Å |
| 177 | S | 84.7 | Confident | 89.7 | Confident | 7 Ų | 7 | 44.7 Ų | 44.7 | 5% | 0.049 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -68.9 | -38.5 | 179 | -63.8 | 0 | 0 | 0 | 0 | 112.2 | V66 M173 V175 L181 | V66-S177 WeakPolarHBondContact CG1-OG 3.44Å; V66-S177 VanDerWaalsContact CG2-OG 3.27Å; V66-S177 WeakPolarHBondContact CG2-OG 3.4Å; M173-S177 WeakPolarHBondContact O-CB 3.42Å; M173-S177 PolarHBondContact O-N 2.93Å; M173-S177 PolarHBondContact O-OG 3.01Å; V175-S177 PolarHBondContact O-N 2.93Å; S177-L181 VanDerWaalsContact O-CG 3.31Å; S177-L181 WeakPolarHBondContact O-CG 3.31Å; S177-L181 PolarHBondContact O-N 3.3Å; S177-L181 VanDerWaalsContact O-N 3.13Å |
| 178 | G | 87.3 | Confident | 89.6 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.8 | -42.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | A144 H148 A174 V175 F180 L181 L182 | A144-G178 WeakPolarHBondContact CB-O 3.44Å; H148-G178 WeakPolarHBondContact NE2-CA 3.38Å; A174-G178 PolarHBondContact O-N 3.38Å; A174-G178 VanDerWaalsContact O-N 3.11Å; V175-G178 PolarHBondContact O-N 3.21Å; G178-F180 VanDerWaalsContact C-N 3.35Å; G178-F180 PolarHBondContact O-N 2.89Å; G178-L181 PolarHBondContact O-N 3.06Å; G178-L182 WeakPolarHBondContact O-CB 3.35Å; G178-L182 PolarHBondContact O-N 2.93Å |
| 179 | D | 91.3 | Very high | 89.8 | Confident | 79 Ų | 79 | 40.9 Ų | 40.9 | 42% | 0.422 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.2 | -41.6 | 178.3 | -67.2 | -7.8 | 0 | 0 | 0 | 111.6 | H148 V175 L176 L182 A183 | H148-D179 IonicContact CE1-OD1 3.16Å; H148-D179 PolarHBondContact CE1-OD1 3.35Å; H148-D179 PolarHBondContact NE2-N 2.54Å; H148-D179 IonicContact NE2-OD1 2.95Å; H148-D179 PolarHBondContact NE2-OD1 2.75Å; V175-D179 VanDerWaalsContact O-CG 3.23Å; V175-D179 PolarHBondContact O-N 3.42Å; L176-D179 PolarHBondContact O-N 2.89Å; D179-L182 PolarHBondContact O-N 3.21Å; D179-A183 WeakPolarHBondContact O-CB 3.38Å; D179-A183 PolarHBondContact O-N 3Å |
| 180 | F | 86.6 | Confident | 90 | Very high | 64 Ų | 64 | 41.2 Ų | 41.2 | 28% | 0.281 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -60.6 | -48.1 | 176.1 | 175.7 | -100 | 0 | 0 | 0 | 112.4 | E62 L176 G178 L182 A183 N184 | E62-F180 HydrophobicContact CB-CE1 3.75Å; E62-F180 HydrophobicContact CB-CE2 3.9Å; E62-F180 HydrophobicContact CB-CZ 3.26Å; E62-F180 HydrophobicContact CG-CE2 3.91Å; E62-F180 HydrophobicContact CG-CZ 3.61Å; L176-F180 WeakPolarHBondContact O-CB 3.48Å; L176-F180 PolarHBondContact O-N 2.72Å; G178-F180 VanDerWaalsContact C-N 3.35Å; G178-F180 PolarHBondContact O-N 2.89Å; F180-L182 VanDerWaalsContact C-N 3.32Å; F180-L182 PolarHBondContact O-N 3.22Å; F180-A183 PolarHBondContact O-N 3.21Å; F180-N184 WeakPolarHBondContact CE1-ND2 3.38Å; F180-N184 WeakPolarHBondContact CZ-ND2 3.25Å; F180-N184 PolarHBondContact O-N 3.17Å; F180-N184 PolarHBondContact O-ND2 3.46Å |
| 181 | L | 85.4 | Confident | 90.2 | Very high | 8 Ų | 8 | 47.3 Ų | 47.3 | 4% | 0.042 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.2 | -41.4 | 177.7 | -72.9 | 170.9 | 0 | 0 | 0 | 111.7 | L63 L140 T143 A144 V147 S177 G178 N184 A185 | L63-L181 HydrophobicContact CD1-CD2 3.91Å; L140-L181 HydrophobicContact CD2-CD2 3.83Å; T143-L181 HydrophobicContact CG2-CD1 3.62Å; A144-L181 HydrophobicContact CB-CB 3.75Å; A144-L181 HydrophobicContact CB-CD1 4.49Å; V147-L181 HydrophobicContact CG2-CD1 4.35Å; S177-L181 VanDerWaalsContact O-CG 3.31Å; S177-L181 WeakPolarHBondContact O-CG 3.31Å; S177-L181 PolarHBondContact O-N 3.3Å; S177-L181 VanDerWaalsContact O-N 3.13Å; G178-L181 PolarHBondContact O-N 3.06Å; L181-N184 PolarHBondContact O-N 2.94Å; L181-A185 PolarHBondContact O-N 3Å |
| 182 | L | 91.5 | Very high | 90.3 | Very high | 47 Ų | 47 | 47.1 Ų | 47.1 | 25% | 0.246 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.5 | -40.5 | 177.8 | -171.4 | 61.3 | 0 | 0 | 0 | 111.7 | I141 A144 G178 D179 F180 N184 A185 C186 I205 | I141-L182 HydrophobicContact CG1-CD1 4.29Å; A144-L182 HydrophobicContact CB-CB 4.24Å; G178-L182 WeakPolarHBondContact O-CB 3.35Å; G178-L182 PolarHBondContact O-N 2.93Å; D179-L182 PolarHBondContact O-N 3.21Å; F180-L182 VanDerWaalsContact C-N 3.32Å; F180-L182 PolarHBondContact O-N 3.22Å; L182-N184 PolarHBondContact O-N 3.39Å; L182-A185 PolarHBondContact O-N 3.12Å; L182-C186 PolarHBondContact O-N 3.34Å; L182-C186 PolarHBondContact O-SG 3.47Å; L182-I205 HydrophobicContact CD1-CD1 3.91Å; L182-I205 HydrophobicContact CD1-CG1 4.41Å |
| 183 | A | 90.8 | Very high | 90.5 | Very high | 52 Ų | 52 | 47.7 Ų | 47.7 | 43% | 0.43 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.3 | -45.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | D179 F180 A185 C186 T187 | D179-A183 WeakPolarHBondContact O-CB 3.38Å; D179-A183 PolarHBondContact O-N 3Å; F180-A183 PolarHBondContact O-N 3.21Å; A183-A185 VanDerWaalsContact C-N 3.35Å; A183-A185 PolarHBondContact O-N 3.11Å; A183-C186 WeakPolarHBondContact O-CB 3.43Å; A183-C186 PolarHBondContact O-N 3.44Å; A183-T187 PolarHBondContact O-N 2.9Å; A183-T187 PolarHBondContact O-OG1 3.45Å |
| 184 | N | 85.5 | Confident | 90.9 | Very high | 68 Ų | 68 | 47.8 Ų | 47.8 | 36% | 0.364 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.3 | -39.9 | 175.5 | -73.5 | -27 | 0 | 0 | 0 | 112.5 | F180 L181 L182 C186 T187 G188 | F180-N184 WeakPolarHBondContact CE1-ND2 3.38Å; F180-N184 WeakPolarHBondContact CZ-ND2 3.25Å; F180-N184 PolarHBondContact O-N 3.17Å; F180-N184 PolarHBondContact O-ND2 3.46Å; L181-N184 PolarHBondContact O-N 2.94Å; L182-N184 PolarHBondContact O-N 3.39Å; N184-C186 VanDerWaalsContact C-N 3.34Å; N184-C186 PolarHBondContact O-N 3.36Å; N184-T187 PolarHBondContact O-N 2.91Å; N184-G188 PolarHBondContact O-N 3.16Å |
| 185 | A | 91.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.6 | -40.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | I137 L140 I141 L181 L182 A183 G188 L189 | I137-A185 HydrophobicContact CG2-CB 4.34Å; L140-A185 HydrophobicContact CB-CB 4.07Å; I141-A185 HydrophobicContact CD1-CB 4.25Å; I141-A185 HydrophobicContact CG1-CB 3.57Å; L181-A185 PolarHBondContact O-N 3Å; L182-A185 PolarHBondContact O-N 3.12Å; A183-A185 VanDerWaalsContact C-N 3.35Å; A183-A185 PolarHBondContact O-N 3.11Å; A185-G188 PolarHBondContact O-N 2.9Å; A185-L189 WeakPolarHBondContact O-CG 3.47Å; A185-L189 PolarHBondContact O-N 3.24Å |
| 186 | C | 94.2 | Very high | 91.7 | Very high | 60 Ų | 60 | 54.9 Ų | 54.9 | 41% | 0.405 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.1 | -41.3 | 175.4 | -71.3 | 0 | 0 | 0 | 0 | 112.5 | L182 A183 N184 L189 A190 | L182-C186 PolarHBondContact O-N 3.34Å; L182-C186 PolarHBondContact O-SG 3.47Å; A183-C186 WeakPolarHBondContact O-CB 3.43Å; A183-C186 PolarHBondContact O-N 3.44Å; N184-C186 VanDerWaalsContact C-N 3.34Å; N184-C186 PolarHBondContact O-N 3.36Å; C186-L189 WeakPolarHBondContact O-CB 3.4Å; C186-L189 PolarHBondContact O-N 2.97Å; C186-A190 PolarHBondContact O-N 2.79Å; C186-A190 VanDerWaalsContact O-N 3.08Å |
| 187 | T | 91.8 | Very high | 92.2 | Very high | 76 Ų | 76 | 50.6 Ų | 50.6 | 47% | 0.466 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.5 | -48.7 | 173.2 | -58.1 | 0 | 0 | 0 | 0 | 110.8 | A183 N184 L189 A190 E191 | A183-T187 PolarHBondContact O-N 2.9Å; A183-T187 PolarHBondContact O-OG1 3.45Å; N184-T187 PolarHBondContact O-N 2.91Å; T187-L189 VanDerWaalsContact C-N 3.31Å; T187-L189 PolarHBondContact O-N 2.93Å; T187-A190 WeakPolarHBondContact O-CB 3.24Å; T187-A190 PolarHBondContact O-N 2.91Å; T187-A190 VanDerWaalsContact O-N 3.14Å; T187-E191 WeakPolarHBondContact O-CG 3.43Å; T187-E191 PolarHBondContact O-N 2.98Å; T187-E191 VanDerWaalsContact O-N 3.09Å |
| 188 | G | 90.4 | Very high | 92.8 | Very high | 14 Ų | 14 | 52.5 Ų | 52.5 | 14% | 0.144 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.7 | -37.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | I137 N184 A185 E191 L192 | I137-G188 WeakPolarHBondContact CD1-O 3.32Å; N184-G188 PolarHBondContact O-N 3.16Å; A185-G188 PolarHBondContact O-N 2.9Å; G188-E191 PolarHBondContact O-N 3.15Å; G188-L192 PolarHBondContact O-N 2.78Å |
| 189 | L | 94.6 | Very high | 93.3 | Very high | 3 Ų | 3 | 57.8 Ų | 57.8 | 2% | 0.016 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.6 | -42.6 | 174.2 | -80.2 | 170.1 | 0 | 0 | 0 | 112.4 | I137 I141 A185 C186 T187 E191 L192 V197 V198 I201 | I137-L189 HydrophobicContact CD1-CD2 4.22Å; I137-L189 HydrophobicContact CD1-CG 4.26Å; I137-L189 HydrophobicContact CG2-CD1 4.15Å; I137-L189 HydrophobicContact CG2-CD2 3.7Å; I137-L189 HydrophobicContact CG2-CG 3.58Å; I141-L189 HydrophobicContact CD1-CD1 4.47Å; A185-L189 WeakPolarHBondContact O-CG 3.47Å; A185-L189 PolarHBondContact O-N 3.24Å; C186-L189 WeakPolarHBondContact O-CB 3.4Å; C186-L189 PolarHBondContact O-N 2.97Å; T187-L189 VanDerWaalsContact C-N 3.31Å; T187-L189 PolarHBondContact O-N 2.93Å; L189-E191 VanDerWaalsContact C-N 3.32Å; L189-L192 HydrophobicContact CD2-CD1 4.25Å; L189-L192 WeakPolarHBondContact O-CB 3.4Å; L189-L192 PolarHBondContact O-N 2.75Å; L189-V197 HydrophobicContact CD2-CG1 4.45Å; L189-V198 HydrophobicContact CB-CG2 4.44Å; L189-I201 HydrophobicContact CD1-CB 3.99Å; L189-I201 HydrophobicContact CD1-CG2 3.66Å; L189-I201 HydrophobicContact CD2-CB 3.76Å; L189-I201 HydrophobicContact CD2-CG1 3.81Å; L189-I201 HydrophobicContact CD2-CG2 3.94Å; L189-I201 HydrophobicContact CG-CG2 4.38Å |
| 190 | A | 95.8 | Very high | 93.7 | Very high | 63 Ų | 63 | 54.6 Ų | 54.6 | 52% | 0.521 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.4 | -38.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | C186 T187 L192 N193 | C186-A190 PolarHBondContact O-N 2.79Å; C186-A190 VanDerWaalsContact O-N 3.08Å; T187-A190 WeakPolarHBondContact O-CB 3.24Å; T187-A190 PolarHBondContact O-N 2.91Å; T187-A190 VanDerWaalsContact O-N 3.14Å; A190-L192 PolarHBondContact O-N 2.81Å; A190-N193 PolarHBondContact O-N 3.47Å |
| 191 | E | 93.9 | Very high | 94.2 | Very high | 127 Ų | 127 | 51.6 Ų | 51.6 | 59% | 0.593 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -64.3 | -21.3 | 177.2 | -68.9 | 172.8 | 175.1 | 0 | 0 | 113.6 | T187 G188 L189 N193 | T187-E191 WeakPolarHBondContact O-CG 3.43Å; T187-E191 PolarHBondContact O-N 2.98Å; T187-E191 VanDerWaalsContact O-N 3.09Å; G188-E191 PolarHBondContact O-N 3.15Å; L189-E191 VanDerWaalsContact C-N 3.32Å; E191-N193 PolarHBondContact O-N 2.93Å; E191-N193 PolarHBondContact O-ND2 3.43Å |
| 192 | L | 93.6 | Very high | 94.8 | Very high | 19 Ų | 19 | 53.8 Ų | 53.8 | 10% | 0.099 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -18.4 | 173.1 | -63.6 | 180 | 0 | 0 | 0 | 113.1 | S130 N133 L134 I137 G188 L189 A190 D194 V197 L255 | S130-L192 WeakPolarHBondContact O-CD2 3.39Å; N133-L192 HydrophobicContact CB-CD2 3.75Å; L134-L192 HydrophobicContact CB-CD1 4.3Å; L134-L192 HydrophobicContact CD1-CD1 4.2Å; I137-L192 HydrophobicContact CD1-CD1 3.79Å; I137-L192 HydrophobicContact CD1-CD2 4.5Å; I137-L192 HydrophobicContact CD1-CG 4.07Å; G188-L192 PolarHBondContact O-N 2.78Å; L189-L192 HydrophobicContact CD2-CD1 4.25Å; L189-L192 WeakPolarHBondContact O-CB 3.4Å; L189-L192 PolarHBondContact O-N 2.75Å; A190-L192 PolarHBondContact O-N 2.81Å; L192-D194 PolarHBondContact O-N 3.4Å; L192-D194 VanDerWaalsContact O-N 3.13Å; L192-V197 HydrophobicContact CD1-CG1 3.79Å; L192-L255 HydrophobicContact CD1-CD1 4.37Å |
| 193 | N | 95.3 | Very high | 95.2 | Very high | 149 Ų | 149 | 53.5 Ų | 53.5 | 80% | 0.797 | 31% | 0.314 | S | S | * | . | trans | 52.9 | 31.1 | 177.8 | -66.7 | -68.3 | 0 | 0 | 0 | 114.8 | A190 E191 | A190-N193 PolarHBondContact O-N 3.47Å; E191-N193 PolarHBondContact O-N 2.93Å; E191-N193 PolarHBondContact O-ND2 3.43Å | ||
| 194 | D | 97.1 | Very high | 95.5 | Very high | 18 Ų | 18 | 51 Ų | 51 | 10% | 0.096 | 29% | 0.294 | C | S | . | . | trans | -126.1 | 103.8 | 174.1 | -169 | -55.1 | 0 | 0 | 0 | 109.4 | L192 K196 V197 V198 L255 K257 | L192-D194 PolarHBondContact O-N 3.4Å; L192-D194 VanDerWaalsContact O-N 3.13Å; D194-K196 PolarHBondContact O-N 3.46Å; D194-K196 WeakPolarHBondContact OD1-CB 3.33Å; D194-K196 PolarHBondContact OD1-N 2.78Å; D194-K196 VanDerWaalsContact OD1-N 3.11Å; D194-V197 HydrophobicContact CB-CB 4.08Å; D194-V197 HydrophobicContact CB-CG2 3.89Å; D194-V197 WeakPolarHBondContact O-CB 3.37Å; D194-V197 PolarHBondContact O-N 3.47Å; D194-V197 VanDerWaalsContact O-N 3.09Å; D194-V197 PolarHBondContact OD1-N 3.26Å; D194-V197 VanDerWaalsContact OD1-N 3.16Å; D194-V198 PolarHBondContact O-N 3.47Å; D194-L255 HydrophobicContact CB-CD2 4.16Å; D194-K257 IonicContact OD2-NZ 3.41Å; D194-K257 PolarHBondContact OD2-NZ 3.45Å | ||
| 195 | T | 97.8 | Very high | 96.1 | Very high | 127 Ų | 127 | 49.3 Ų | 49.3 | 78% | 0.779 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -61.9 | -28.4 | -175.3 | 53.1 | 0 | 0 | 0 | 0 | 112.8 | V198 E199 | T195-V198 PolarHBondContact O-N 3Å; T195-E199 WeakPolarHBondContact O-CB 3.23Å; T195-E199 PolarHBondContact O-N 2.6Å |
| 196 | K | 98.3 | Very high | 96.3 | Very high | 81 Ų | 81 | 52 Ų | 52 | 35% | 0.352 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -72.2 | -37.3 | 177.5 | -170.7 | 64.5 | -168.1 | 169.7 | 0 | 111.3 | D194 E199 L200 Q254 | D194-K196 PolarHBondContact O-N 3.46Å; D194-K196 WeakPolarHBondContact OD1-CB 3.33Å; D194-K196 PolarHBondContact OD1-N 2.78Å; D194-K196 VanDerWaalsContact OD1-N 3.11Å; K196-E199 WeakPolarHBondContact CD-OE2 3.24Å; K196-E199 IonicContact NZ-OE1 3.65Å; K196-E199 PolarHBondContact NZ-OE1 2.85Å; K196-E199 IonicContact NZ-OE2 2.67Å; K196-E199 PolarHBondContact NZ-OE2 2.94Å; K196-E199 PolarHBondContact O-N 3.09Å; K196-L200 VanDerWaalsContact O-CG 3.3Å; K196-L200 WeakPolarHBondContact O-CG 3.49Å; K196-L200 PolarHBondContact O-N 3.47Å; K196-Q254 HydrophobicContact CB-CG 4.38Å; K196-Q254 HydrophobicContact CG-CG 4.45Å |
| 197 | V | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.1 | -43.8 | 172.6 | 172.2 | 0 | 0 | 0 | 0 | 110.8 | L134 L189 L192 D194 E199 L200 I201 A251 Q254 L255 | L134-V197 HydrophobicContact CD1-CG1 4.14Å; L189-V197 HydrophobicContact CD2-CG1 4.45Å; L192-V197 HydrophobicContact CD1-CG1 3.79Å; D194-V197 HydrophobicContact CB-CB 4.08Å; D194-V197 HydrophobicContact CB-CG2 3.89Å; D194-V197 WeakPolarHBondContact O-CB 3.37Å; D194-V197 PolarHBondContact O-N 3.47Å; D194-V197 VanDerWaalsContact O-N 3.09Å; D194-V197 PolarHBondContact OD1-N 3.26Å; D194-V197 VanDerWaalsContact OD1-N 3.16Å; V197-E199 PolarHBondContact O-N 2.84Å; V197-L200 PolarHBondContact O-N 2.81Å; V197-I201 HydrophobicContact CG1-CG1 4.4Å; V197-I201 WeakPolarHBondContact O-CG1 3.17Å; V197-I201 PolarHBondContact O-N 3.41Å; V197-A251 HydrophobicContact CB-CB 4.49Å; V197-A251 HydrophobicContact CG1-CB 3.99Å; V197-A251 HydrophobicContact CG2-CB 4.19Å; V197-Q254 HydrophobicContact CG2-CB 4.24Å; V197-Q254 HydrophobicContact CG2-CG 3.78Å; V197-L255 HydrophobicContact CG2-CD2 3.79Å; V197-L255 HydrophobicContact CG2-CG 3.81Å |
| 198 | V | 98.4 | Very high | 96.5 | Very high | 48 Ų | 48 | 47 Ų | 47 | 29% | 0.291 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -57.2 | -49.2 | 174.7 | 177.4 | 0 | 0 | 0 | 0 | 110.6 | L189 D194 T195 L200 I201 S202 | L189-V198 HydrophobicContact CB-CG2 4.44Å; D194-V198 PolarHBondContact O-N 3.47Å; T195-V198 PolarHBondContact O-N 3Å; V198-L200 PolarHBondContact O-N 3.12Å; V198-I201 PolarHBondContact O-N 3.28Å; V198-S202 VanDerWaalsContact O-CB 3.28Å; V198-S202 WeakPolarHBondContact O-CB 3.41Å; V198-S202 PolarHBondContact O-N 2.97Å; V198-S202 PolarHBondContact O-OG 3.48Å |
| 199 | E | 98.4 | Very high | 96.6 | Very high | 110 Ų | 110 | 50.9 Ų | 50.9 | 51% | 0.514 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -58.1 | -45.6 | 177.4 | -171.1 | -162.1 | 145 | 0 | 0 | 112.5 | T195 K196 V197 S203 | T195-E199 WeakPolarHBondContact O-CB 3.23Å; T195-E199 PolarHBondContact O-N 2.6Å; K196-E199 WeakPolarHBondContact CD-OE2 3.24Å; K196-E199 IonicContact NZ-OE1 3.65Å; K196-E199 PolarHBondContact NZ-OE1 2.85Å; K196-E199 IonicContact NZ-OE2 2.67Å; K196-E199 PolarHBondContact NZ-OE2 2.94Å; K196-E199 PolarHBondContact O-N 3.09Å; V197-E199 PolarHBondContact O-N 2.84Å; E199-S203 VanDerWaalsContact O-CB 3.32Å; E199-S203 WeakPolarHBondContact O-CB 3.41Å; E199-S203 PolarHBondContact O-N 3.34Å; E199-S203 PolarHBondContact O-OG 3.48Å; E199-S203 VanDerWaalsContact O-OG 3.12Å |
| 200 | L | 98.5 | Very high | 96.4 | Very high | 13 Ų | 13 | 54.8 Ų | 54.8 | 7% | 0.068 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.9 | -49.2 | 178 | -75.3 | 172.9 | 0 | 0 | 0 | 111.2 | K196 V197 V198 S203 A204 K247 Q250 A251 | K196-L200 VanDerWaalsContact O-CG 3.3Å; K196-L200 WeakPolarHBondContact O-CG 3.49Å; K196-L200 PolarHBondContact O-N 3.47Å; V197-L200 PolarHBondContact O-N 2.81Å; V198-L200 PolarHBondContact O-N 3.12Å; L200-S203 PolarHBondContact O-N 3.46Å; L200-S203 PolarHBondContact O-OG 2.99Å; L200-A204 PolarHBondContact O-N 3.24Å; L200-K247 WeakPolarHBondContact O-CD 3.49Å; L200-Q250 HydrophobicContact CD1-CB 4.46Å; L200-Q250 HydrophobicContact CD1-CG 4.11Å; L200-A251 HydrophobicContact CD1-CB 4.13Å |
| 201 | I | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -74.9 | -38.8 | -176.2 | -57.1 | -56.1 | 0 | 0 | 0 | 111.9 | L134 I141 L189 V197 V198 S203 A204 I205 S248 A251 | L134-I201 HydrophobicContact CD1-CD1 4.12Å; L134-I201 HydrophobicContact CD1-CG1 4.03Å; I141-I201 HydrophobicContact CD1-CG2 3.29Å; L189-I201 HydrophobicContact CD1-CB 3.99Å; L189-I201 HydrophobicContact CD1-CG2 3.66Å; L189-I201 HydrophobicContact CD2-CB 3.76Å; L189-I201 HydrophobicContact CD2-CG1 3.81Å; L189-I201 HydrophobicContact CD2-CG2 3.94Å; L189-I201 HydrophobicContact CG-CG2 4.38Å; V197-I201 HydrophobicContact CG1-CG1 4.4Å; V197-I201 WeakPolarHBondContact O-CG1 3.17Å; V197-I201 PolarHBondContact O-N 3.41Å; V198-I201 PolarHBondContact O-N 3.28Å; I201-S203 VanDerWaalsContact C-N 3.31Å; I201-S203 PolarHBondContact O-N 3.43Å; I201-A204 WeakPolarHBondContact O-CA 3.23Å; I201-A204 VanDerWaalsContact O-CB 3.31Å; I201-A204 WeakPolarHBondContact O-CB 3.46Å; I201-A204 PolarHBondContact O-N 3.2Å; I201-I205 WeakPolarHBondContact O-CG1 3.22Å; I201-I205 PolarHBondContact O-N 2.95Å; I201-S248 WeakPolarHBondContact CD1-OG 3.35Å; I201-A251 HydrophobicContact CD1-CB 4.23Å |
| 202 | S | 97.9 | Very high | 95.5 | Very high | 55 Ų | 55 | 47.1 Ų | 47.1 | 39% | 0.385 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.3 | -40.9 | 173.2 | -64.3 | 0 | 0 | 0 | 0 | 112 | V198 A204 I205 A206 | V198-S202 VanDerWaalsContact O-CB 3.28Å; V198-S202 WeakPolarHBondContact O-CB 3.41Å; V198-S202 PolarHBondContact O-N 2.97Å; V198-S202 PolarHBondContact O-OG 3.48Å; S202-A204 VanDerWaalsContact C-N 3.29Å; S202-A204 PolarHBondContact O-N 3.06Å; S202-I205 PolarHBondContact O-N 3.43Å; S202-A206 PolarHBondContact O-N 3.41Å; S202-A206 VanDerWaalsContact O-N 3.11Å |
| 203 | S | 98.4 | Very high | 95 | Very high | 40 Ų | 40 | 54.1 Ų | 54.1 | 28% | 0.28 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -67.5 | -29.7 | 174 | 71.5 | 0 | 0 | 0 | 0 | 112.5 | E199 L200 I201 A206 D207 K247 | E199-S203 VanDerWaalsContact O-CB 3.32Å; E199-S203 WeakPolarHBondContact O-CB 3.41Å; E199-S203 PolarHBondContact O-N 3.34Å; E199-S203 PolarHBondContact O-OG 3.48Å; E199-S203 VanDerWaalsContact O-OG 3.12Å; L200-S203 PolarHBondContact O-N 3.46Å; L200-S203 PolarHBondContact O-OG 2.99Å; I201-S203 VanDerWaalsContact C-N 3.31Å; I201-S203 PolarHBondContact O-N 3.43Å; S203-A206 PolarHBondContact O-N 3.14Å; S203-D207 PolarHBondContact O-N 3.44Å; S203-K247 PolarHBondContact O-NZ 3.3Å; S203-K247 PolarHBondContact OG-NZ 2.99Å |
| 204 | A | 98.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67.6 | -37.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L200 I201 S202 A206 D207 L208 L244 K247 | L200-A204 PolarHBondContact O-N 3.24Å; I201-A204 WeakPolarHBondContact O-CA 3.23Å; I201-A204 VanDerWaalsContact O-CB 3.31Å; I201-A204 WeakPolarHBondContact O-CB 3.46Å; I201-A204 PolarHBondContact O-N 3.2Å; S202-A204 VanDerWaalsContact C-N 3.29Å; S202-A204 PolarHBondContact O-N 3.06Å; A204-A206 VanDerWaalsContact C-N 3.34Å; A204-D207 PolarHBondContact O-N 3.04Å; A204-L208 WeakPolarHBondContact O-CG 3.41Å; A204-L208 PolarHBondContact O-N 2.98Å; A204-L244 HydrophobicContact CB-CD1 4.18Å; A204-K247 HydrophobicContact CB-CB 4.07Å; A204-K247 HydrophobicContact CB-CD 3.6Å; A204-K247 HydrophobicContact CB-CG 4.41Å |
| 205 | I | 96.9 | Very high | 93.2 | Very high | 32 Ų | 32 | 50.2 Ų | 50.2 | 16% | 0.164 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.3 | -44.6 | 173.6 | -65.2 | 161.6 | 0 | 0 | 0 | 110 | I141 L182 I201 S202 L208 V209 | I141-I205 HydrophobicContact CD1-CD1 4Å; I141-I205 HydrophobicContact CD1-CG1 4.24Å; I141-I205 HydrophobicContact CG1-CD1 4.44Å; I141-I205 HydrophobicContact CG2-CG1 3.87Å; L182-I205 HydrophobicContact CD1-CD1 3.91Å; L182-I205 HydrophobicContact CD1-CG1 4.41Å; I201-I205 WeakPolarHBondContact O-CG1 3.22Å; I201-I205 PolarHBondContact O-N 2.95Å; S202-I205 PolarHBondContact O-N 3.43Å; I205-L208 PolarHBondContact O-N 3.03Å; I205-V209 WeakPolarHBondContact O-CG2 3.32Å; I205-V209 PolarHBondContact O-N 2.85Å; I205-V209 VanDerWaalsContact O-N 3.14Å |
| 206 | A | 96.9 | Very high | 91.9 | Very high | 57 Ų | 57 | 46.1 Ų | 46.1 | 47% | 0.471 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -59.6 | -46.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | S202 S203 A204 L208 V209 Q210 | S202-A206 PolarHBondContact O-N 3.41Å; S202-A206 VanDerWaalsContact O-N 3.11Å; S203-A206 PolarHBondContact O-N 3.14Å; A204-A206 VanDerWaalsContact C-N 3.34Å; A206-L208 VanDerWaalsContact C-N 3.35Å; A206-L208 PolarHBondContact O-N 2.94Å; A206-V209 PolarHBondContact O-N 3.46Å; A206-Q210 WeakPolarHBondContact O-CB 3.23Å; A206-Q210 PolarHBondContact O-N 2.79Å |
| 207 | D | 96.6 | Very high | 90.3 | Very high | 26 Ų | 26 | 47.4 Ų | 47.4 | 14% | 0.139 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.5 | -45.1 | 176.6 | -67.4 | -11.9 | 0 | 0 | 0 | 112 | S203 A204 V209 Q210 G211 L239 A243 K247 | S203-D207 PolarHBondContact O-N 3.44Å; A204-D207 PolarHBondContact O-N 3.04Å; D207-V209 PolarHBondContact O-N 3.07Å; D207-Q210 PolarHBondContact O-N 2.84Å; D207-G211 PolarHBondContact O-N 3Å; D207-L239 CarbonylContact C-O 3.51Å; D207-L239 HydrophobicContact CB-CD2 3.66Å; D207-L239 WeakPolarHBondContact O-CB 3.27Å; D207-A243 HydrophobicContact CB-CB 3.57Å; D207-A243 WeakPolarHBondContact OD2-CB 3.49Å; D207-K247 IonicContact OD1-NZ 2.83Å; D207-K247 VanDerWaalsContact OD2-CE 3.23Å; D207-K247 WeakPolarHBondContact OD2-CE 3.46Å; D207-K247 IonicContact OD2-NZ 2.84Å; D207-K247 PolarHBondContact OD2-NZ 3.32Å |
| 208 | L | 92.9 | Very high | 88.4 | Confident | 6 Ų | 6 | 50.7 Ų | 50.7 | 3% | 0.031 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59 | -46.8 | 178.1 | -71.4 | 170.9 | 0 | 0 | 0 | 111.6 | I141 F145 A204 I205 A206 G211 I212 L239 L244 | I141-L208 HydrophobicContact CG2-CD1 4.31Å; F145-L208 HydrophobicContact CD2-CB 4.18Å; F145-L208 HydrophobicContact CE1-CD2 4.46Å; F145-L208 HydrophobicContact CE2-CB 3.94Å; F145-L208 HydrophobicContact CE2-CD2 4.48Å; F145-L208 HydrophobicContact CZ-CD2 4.28Å; A204-L208 WeakPolarHBondContact O-CG 3.41Å; A204-L208 PolarHBondContact O-N 2.98Å; I205-L208 PolarHBondContact O-N 3.03Å; A206-L208 VanDerWaalsContact C-N 3.35Å; A206-L208 PolarHBondContact O-N 2.94Å; L208-G211 PolarHBondContact O-N 2.97Å; L208-I212 WeakPolarHBondContact O-CG1 3.49Å; L208-I212 PolarHBondContact O-N 3.19Å; L208-I212 VanDerWaalsContact O-N 3.15Å; L208-L239 VanDerWaalsContact CA-O 3.27Å; L208-L239 WeakPolarHBondContact CA-O 3.25Å; L208-L239 PolarHBondContact N-O 2.86Å; L208-L244 HydrophobicContact CD1-CB 4.12Å; L208-L244 HydrophobicContact CD1-CD2 4.13Å |
| 209 | V | 91.4 | Very high | 86.4 | Confident | 95 Ų | 95 | 52.3 Ų | 52.3 | 58% | 0.576 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -65.1 | -43.7 | 179.7 | 175.2 | 0 | 0 | 0 | 0 | 110.7 | I205 A206 D207 G211 I212 Y213 | I205-V209 WeakPolarHBondContact O-CG2 3.32Å; I205-V209 PolarHBondContact O-N 2.85Å; I205-V209 VanDerWaalsContact O-N 3.14Å; A206-V209 PolarHBondContact O-N 3.46Å; D207-V209 PolarHBondContact O-N 3.07Å; V209-G211 VanDerWaalsContact C-N 3.34Å; V209-G211 PolarHBondContact O-N 3.34Å; V209-I212 PolarHBondContact O-N 2.72Å; V209-Y213 PolarHBondContact O-N 3.37Å; V209-Y213 VanDerWaalsContact O-N 3.07Å |
| 210 | Q | 90.8 | Very high | 84.1 | Confident | 84 Ų | 84 | 52.8 Ų | 52.8 | 39% | 0.393 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.1 | -43.2 | 176.2 | -175 | 175.7 | 6.1 | 0 | 0 | 111.6 | A206 D207 I212 Y213 Y214 L239 | A206-Q210 WeakPolarHBondContact O-CB 3.23Å; A206-Q210 PolarHBondContact O-N 2.79Å; D207-Q210 PolarHBondContact O-N 2.84Å; Q210-I212 VanDerWaalsContact C-N 3.29Å; Q210-I212 PolarHBondContact O-N 3.01Å; Q210-Y213 WeakPolarHBondContact O-CB 3.19Å; Q210-Y213 PolarHBondContact O-N 3.31Å; Q210-Y213 VanDerWaalsContact O-N 3.09Å; Q210-Y214 HydrophobicContact CG-CD2 4.11Å; Q210-Y214 HydrophobicContact CG-CE2 3.5Å; Q210-Y214 VanDerWaalsContact CG-CE2 3.5Å; Q210-Y214 PolarHBondContact NE2-OH 3.32Å; Q210-Y214 WeakPolarHBondContact O-CD2 3.4Å; Q210-Y214 PolarHBondContact O-N 3.27Å; Q210-Y214 VanDerWaalsContact O-N 3.08Å; Q210-L239 HydrophobicContact CG-CD1 4.32Å |
| 211 | G | 88.7 | Confident | 81.7 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.2 | -37.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | D207 L208 V209 E215 | D207-G211 PolarHBondContact O-N 3Å; L208-G211 PolarHBondContact O-N 2.97Å; V209-G211 VanDerWaalsContact C-N 3.34Å; V209-G211 PolarHBondContact O-N 3.34Å; G211-E215 PolarHBondContact O-N 3.24Å |
| 212 | I | 82.6 | Confident | 79.2 | Confident | 29 Ų | 29 | 58.9 Ų | 58.9 | 15% | 0.149 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -69.2 | -37.7 | 174.4 | -67.1 | -58.9 | 0 | 0 | 0 | 111.9 | F145 R149 L208 V209 Q210 Y214 E215 N216 | F145-I212 HydrophobicContact CE2-CD1 3.97Å; F145-I212 HydrophobicContact CE2-CG1 3.47Å; F145-I212 VanDerWaalsContact CE2-CG1 3.47Å; F145-I212 HydrophobicContact CZ-CD1 3.62Å; F145-I212 HydrophobicContact CZ-CG1 3.64Å; R149-I212 HydrophobicContact CG-CD1 4.32Å; L208-I212 WeakPolarHBondContact O-CG1 3.49Å; L208-I212 PolarHBondContact O-N 3.19Å; L208-I212 VanDerWaalsContact O-N 3.15Å; V209-I212 PolarHBondContact O-N 2.72Å; Q210-I212 VanDerWaalsContact C-N 3.29Å; Q210-I212 PolarHBondContact O-N 3.01Å; I212-Y214 VanDerWaalsContact C-N 3.32Å; I212-Y214 PolarHBondContact O-N 3.33Å; I212-E215 PolarHBondContact O-N 3.09Å; I212-N216 PolarHBondContact O-N 2.61Å; I212-N216 PolarHBondContact O-ND2 2.96Å; I212-N216 PolarHBondContact O-OD1 3.47Å |
| 213 | Y | 83.3 | Confident | 76.6 | Confident | 166 Ų | 166 | 58.3 Ų | 58.3 | 65% | 0.651 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -60.2 | -46.1 | 176.4 | -166.2 | -94.8 | 0 | 0 | 0 | 111 | V209 Q210 N216 Y217 | V209-Y213 PolarHBondContact O-N 3.37Å; V209-Y213 VanDerWaalsContact O-N 3.07Å; Q210-Y213 WeakPolarHBondContact O-CB 3.19Å; Q210-Y213 PolarHBondContact O-N 3.31Å; Q210-Y213 VanDerWaalsContact O-N 3.09Å; Y213-N216 PolarHBondContact O-N 3.32Å; Y213-Y217 PolarHBondContact O-N 3.33Å |
| 214 | Y | 80.2 | Confident | 73.8 | Confident | 61 Ų | 61 | 65 Ų | 65 | 24% | 0.239 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62 | -44.6 | 174.4 | -64.2 | -39.6 | 0 | 0 | 0 | 112.5 | Q210 I212 N216 Y217 Y218 L239 | Q210-Y214 HydrophobicContact CG-CD2 4.11Å; Q210-Y214 HydrophobicContact CG-CE2 3.5Å; Q210-Y214 VanDerWaalsContact CG-CE2 3.5Å; Q210-Y214 PolarHBondContact NE2-OH 3.32Å; Q210-Y214 WeakPolarHBondContact O-CD2 3.4Å; Q210-Y214 PolarHBondContact O-N 3.27Å; Q210-Y214 VanDerWaalsContact O-N 3.08Å; I212-Y214 VanDerWaalsContact C-N 3.32Å; I212-Y214 PolarHBondContact O-N 3.33Å; Y214-N216 PolarHBondContact O-N 2.88Å; Y214-Y217 PolarHBondContact O-N 3.35Å; Y214-Y218 WeakPolarHBondContact O-CD2 3.46Å; Y214-Y218 PolarHBondContact O-N 3.32Å; Y214-L239 HydrophobicContact CD2-CD1 3.91Å; Y214-L239 HydrophobicContact CE2-CD1 3.74Å |
| 215 | E | 74.2 | Confident | 71 | Confident | 25 Ų | 25 | 66.3 Ų | 66.3 | 12% | 0.117 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -55.4 | -39.2 | 175.1 | -172.7 | 176.5 | -157.9 | 0 | 0 | 112.3 | R149 G211 I212 N219 S300 | R149-E215 IonicContact CZ-OE2 3.67Å; R149-E215 IonicContact NH2-OE1 3.85Å; R149-E215 PolarHBondContact NH2-OE1 3.14Å; R149-E215 IonicContact NH2-OE2 3.27Å; R149-E215 PolarHBondContact NH2-OE2 3.08Å; G211-E215 PolarHBondContact O-N 3.24Å; I212-E215 PolarHBondContact O-N 3.09Å; E215-N219 PolarHBondContact O-ND2 3.26Å; E215-S300 PolarHBondContact OE1-OG 2.73Å |
| 216 | N | 70.7 | Confident | 68.3 | Low | 40 Ų | 40 | 73.3 Ų | 73.3 | 21% | 0.214 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -76 | -39.4 | -178.5 | -62.9 | -17.9 | 0 | 0 | 0 | 112.5 | R21 I212 Y213 Y214 N219 V220 | R21-N216 PolarHBondContact NH1-OD1 2.87Å; R21-N216 PolarHBondContact NH2-OD1 3.21Å; I212-N216 PolarHBondContact O-N 2.61Å; I212-N216 PolarHBondContact O-ND2 2.96Å; I212-N216 PolarHBondContact O-OD1 3.47Å; Y213-N216 PolarHBondContact O-N 3.32Å; Y214-N216 PolarHBondContact O-N 2.88Å; N216-N219 PolarHBondContact O-N 3.11Å; N216-V220 WeakPolarHBondContact O-CG2 3.2Å; N216-V220 PolarHBondContact O-N 2.94Å |
| 217 | Y | 65.4 | Low | 65.6 | Low | 109 Ų | 109 | 73.7 Ų | 73.7 | 43% | 0.427 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.1 | -48.2 | 179.5 | -174 | -106.5 | 0 | 0 | 0 | 111.8 | Y213 Y214 N219 V220 E221 | Y213-Y217 PolarHBondContact O-N 3.33Å; Y214-Y217 PolarHBondContact O-N 3.35Å; Y217-N219 PolarHBondContact O-N 2.89Å; Y217-V220 PolarHBondContact O-N 3.19Å; Y217-V220 VanDerWaalsContact O-N 3.1Å; Y217-E221 HydrophobicContact CE2-CG 4.22Å; Y217-E221 WeakPolarHBondContact CE2-OE1 3.31Å; Y217-E221 VanDerWaalsContact CZ-OE2 3.31Å; Y217-E221 PolarHBondContact O-N 3.33Å; Y217-E221 PolarHBondContact OH-OE1 2.88Å; Y217-E221 PolarHBondContact OH-OE2 3.29Å |
| 218 | Y | 58.6 | Low | 63.3 | Low | 69 Ų | 69 | 79.3 Ų | 79.3 | 27% | 0.271 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -66.4 | -21.8 | 179 | -69 | -63.4 | 0 | 0 | 0 | 114.5 | Y214 D229 T231 | Y214-Y218 WeakPolarHBondContact O-CD2 3.46Å; Y214-Y218 PolarHBondContact O-N 3.32Å; Y218-D229 PolarHBondContact OH-O 2.67Å; Y218-T231 PolarHBondContact OH-N 3.37Å |
| 219 | N | 55.8 | Low | 61.1 | Low | 82 Ų | 82 | 83.8 Ų | 83.8 | 44% | 0.439 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -82.1 | -21.2 | 175.9 | -76.3 | -45.3 | 0 | 0 | 0 | 112.8 | E215 N216 Y217 | E215-N219 PolarHBondContact O-ND2 3.26Å; N216-N219 PolarHBondContact O-N 3.11Å; Y217-N219 PolarHBondContact O-N 2.89Å |
| 220 | V | 49.5 | Very low | 59.2 | Low | 119 Ų | 119 | 84.7 Ų | 84.7 | 72% | 0.721 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -94.5 | -34 | -176.9 | 175.6 | 0 | 0 | 0 | 0 | 111.7 | N216 Y217 D222 | N216-V220 WeakPolarHBondContact O-CG2 3.2Å; N216-V220 PolarHBondContact O-N 2.94Å; Y217-V220 PolarHBondContact O-N 3.19Å; Y217-V220 VanDerWaalsContact O-N 3.1Å; V220-D222 VanDerWaalsContact C-N 3.28Å; V220-D222 PolarHBondContact O-N 3.31Å |
| 221 | E | 47.6 | Very low | 57.8 | Low | 68 Ų | 68 | 82 Ų | 82 | 32% | 0.318 | 45% | 0.453 | S | S | . | . | trans | -88.5 | 40.1 | -179.8 | -68.8 | -164.5 | 172.3 | 0 | 0 | 114.9 | Y217 G223 | Y217-E221 HydrophobicContact CE2-CG 4.22Å; Y217-E221 WeakPolarHBondContact CE2-OE1 3.31Å; Y217-E221 VanDerWaalsContact CZ-OE2 3.31Å; Y217-E221 PolarHBondContact O-N 3.33Å; Y217-E221 PolarHBondContact OH-OE1 2.88Å; Y217-E221 PolarHBondContact OH-OE2 3.29Å; E221-G223 PolarHBondContact O-N 2.82Å | ||
| 222 | D | 47.2 | Very low | 57.5 | Low | 74 Ų | 74 | 85.1 Ų | 85.1 | 40% | 0.396 | 47% | 0.473 | S | S | . | . | S | Bend | trans | -70.4 | 7.1 | 153.3 | -147.7 | 37.9 | 0 | 0 | 0 | 111.2 | V220 H317 | V220-D222 VanDerWaalsContact C-N 3.28Å; V220-D222 PolarHBondContact O-N 3.31Å; D222-H317 IonicContact OD1-CD2 2.78Å; D222-H317 IonicContact OD1-CE1 2.86Å; D222-H317 IonicContact OD1-NE2 2.95Å; D222-H317 PolarHBondContact OD1-NE2 2.99Å |
| 223 | G | 41.9 | Very low | 57.8 | Low | 43 Ų | 43 | 84.2 Ų | 84.2 | 44% | 0.443 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -132.9 | 114.6 | 166 | 0 | 0 | 0 | 0 | 0 | 111.7 | E221 | E221-G223 PolarHBondContact O-N 2.82Š|
| 224 | L | 40.7 | Very low | 58.2 | Low | 181 Ų | 181 | 79.5 Ų | 79.5 | 95% | 0.948 | 45% | 0.452 | S | S | * | . | trans | 75.2 | 28.5 | 150.3 | -51.4 | 170.3 | 0 | 0 | 0 | 119.9 | ||||
| 225 | G | 39.8 | Very low | 58.8 | Low | 27 Ų | 27 | 80.3 Ų | 80.3 | 28% | 0.278 | 46% | 0.46 | S | S | . | . | trans | -92.5 | 102.9 | 163.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 226 | D | 39.6 | Very low | 59.5 | Low | 178 Ų | 178 | 80.2 Ų | 80.2 | 95% | 0.952 | 46% | 0.46 | S | S | * | . | trans | -88.1 | 82.9 | 160.7 | -176.8 | 30.1 | 0 | 0 | 0 | 107.3 | ||||
| 227 | G | 39.7 | Very low | 60.5 | Low | 65 Ų | 65 | 78.5 Ų | 78.5 | 67% | 0.67 | 45% | 0.451 | S | S | * | . | trans | -167.2 | 106.5 | -170.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | D229 | G227-D229 PolarHBondContact O-N 3.49Š| ||
| 228 | V | 48.2 | Very low | 61.9 | Low | 145 Ų | 145 | 74.3 Ų | 74.3 | 88% | 0.879 | 44% | 0.435 | S | S | * | . | trans | -57.5 | 101.7 | 170.8 | 175.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 229 | D | 46.7 | Very low | 63.6 | Low | 99 Ų | 99 | 72.2 Ų | 72.2 | 53% | 0.529 | 43% | 0.428 | S | S | . | . | trans | -148.2 | 77.6 | 147.7 | -157.9 | -4.6 | 0 | 0 | 0 | 108.8 | Y218 G227 T231 | Y218-D229 PolarHBondContact OH-O 2.67Å; G227-D229 PolarHBondContact O-N 3.49Å; D229-T231 PolarHBondContact O-N 3.19Å; D229-T231 VanDerWaalsContact O-N 3.11Å | ||
| 230 | T | 52.4 | Low | 65.3 | Low | 115 Ų | 115 | 69.1 Ų | 69.1 | 71% | 0.706 | 41% | 0.413 | S | S | * | . | trans | -80.5 | 75.4 | 170.1 | 50 | 0 | 0 | 0 | 0 | 107.9 | P232 | T230-P232 VanDerWaalsContact O-CD 3.28Å; T230-P232 WeakPolarHBondContact O-CD 3.48Å; T230-P232 VanDerWaalsContact O-N 3.15Å | ||
| 231 | T | 60.6 | Low | 67.2 | Low | 28 Ų | 28 | 65 Ų | 65 | 17% | 0.172 | 39% | 0.386 | C | S | . | . | trans | -57.3 | 122.6 | 166.8 | -63.9 | 0 | 0 | 0 | 0 | 107 | Y218 D229 D235 | Y218-T231 PolarHBondContact OH-N 3.37Å; D229-T231 PolarHBondContact O-N 3.19Å; D229-T231 VanDerWaalsContact O-N 3.11Å; T231-D235 HydrophobicContact CG2-CB 3.61Å | ||
| 232 | P | 81.8 | Confident | 69.5 | Low | 64 Ų | 64 | 61.7 Ų | 61.7 | 42% | 0.416 | 37% | 0.371 | S | S | . | . | trans | -52.2 | 144 | 178 | -26.4 | 33.9 | 0 | 0 | 0 | 110.9 | T230 E234 D235 Q236 | T230-P232 VanDerWaalsContact O-CD 3.28Å; T230-P232 WeakPolarHBondContact O-CD 3.48Å; T230-P232 VanDerWaalsContact O-N 3.15Å; P232-E234 PolarHBondContact O-N 3.15Å; P232-E234 VanDerWaalsContact O-N 3.09Å; P232-D235 WeakPolarHBondContact CD-OD2 3.28Å; P232-D235 PolarHBondContact O-N 3.38Å; P232-Q236 PolarHBondContact O-N 3.41Å | ||
| 233 | W | 89.6 | Confident | 71.9 | Confident | 11 Ų | 11 | 58.2 Ų | 58.2 | 4% | 0.042 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -51.2 | -38.1 | 178.5 | 174.5 | 88.8 | 0 | 0 | 0 | 112.1 | D235 Q236 A237 K278 L279 S300 A302 V305 F306 L351 | W233-D235 PolarHBondContact O-N 3.19Å; W233-Q236 PolarHBondContact O-N 3.09Å; W233-A237 HydrophobicContact CD2-CB 4.22Å; W233-A237 HydrophobicContact CE3-CB 4.21Å; W233-A237 HydrophobicContact CH2-CB 3.66Å; W233-A237 HydrophobicContact CZ2-CB 3.75Å; W233-A237 HydrophobicContact CZ3-CB 3.93Å; W233-A237 WeakPolarHBondContact O-CB 3.43Å; W233-A237 PolarHBondContact O-N 3.34Å; W233-K278 HydrophobicContact CH2-CB 4.45Å; W233-K278 HydrophobicContact CH2-CG 4.15Å; W233-K278 HydrophobicContact CZ2-CG 3.89Å; W233-L279 HydrophobicContact CE3-CD2 4.34Å; W233-L279 HydrophobicContact CH2-CD1 4.21Å; W233-L279 HydrophobicContact CH2-CD2 3.5Å; W233-L279 VanDerWaalsContact CH2-CD2 3.5Å; W233-L279 HydrophobicContact CH2-CG 3.45Å; W233-L279 VanDerWaalsContact CH2-CG 3.45Å; W233-L279 HydrophobicContact CZ2-CD2 3.98Å; W233-L279 HydrophobicContact CZ2-CG 4.27Å; W233-L279 HydrophobicContact CZ3-CD1 4.09Å; W233-L279 HydrophobicContact CZ3-CD2 3.67Å; W233-L279 HydrophobicContact CZ3-CG 3.78Å; W233-S300 PolarHBondContact NE1-O 2.94Å; W233-A302 HydrophobicContact CD2-CB 3.84Å; W233-A302 HydrophobicContact CE3-CB 4.41Å; W233-A302 HydrophobicContact CG-CB 4.34Å; W233-A302 HydrophobicContact CH2-CB 4.32Å; W233-A302 HydrophobicContact CZ2-CB 3.64Å; W233-V305 HydrophobicContact CB-CG1 4.19Å; W233-F306 HydrophobicContact CB-CE1 4.07Å; W233-F306 HydrophobicContact CB-CZ 4.45Å; W233-F306 HydrophobicContact CD2-CZ 4.45Å; W233-F306 HydrophobicContact CE3-CZ 4.35Å; W233-F306 HydrophobicContact CG-CE1 4.48Å; W233-F306 HydrophobicContact CG-CZ 4.49Å; W233-L351 HydrophobicContact CE3-CD2 4.11Å; W233-L351 HydrophobicContact CZ3-CD2 4.14Å |
| 234 | E | 92.4 | Very high | 74.5 | Confident | 66 Ų | 66 | 56.1 Ų | 56.1 | 31% | 0.308 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.3 | -40.6 | 178.7 | -68.5 | -175.3 | 121.6 | 0 | 0 | 113 | P232 A237 F238 L351 H355 | P232-E234 PolarHBondContact O-N 3.15Å; P232-E234 VanDerWaalsContact O-N 3.09Å; E234-A237 PolarHBondContact O-N 3.07Å; E234-F238 VanDerWaalsContact O-CB 3.22Å; E234-F238 WeakPolarHBondContact O-CB 3.42Å; E234-F238 PolarHBondContact O-N 3.15Å; E234-L351 HydrophobicContact CG-CD2 4Å; E234-L351 WeakPolarHBondContact OE1-CD1 3.17Å; E234-H355 IonicContact OE1-CE1 3.33Å; E234-H355 PolarHBondContact OE1-CE1 3.22Å; E234-H355 IonicContact OE1-NE2 3.65Å; E234-H355 PolarHBondContact OE1-NE2 2.87Å; E234-H355 VanDerWaalsContact OE1-NE2 3.09Å |
| 235 | D | 91.4 | Very high | 77.2 | Confident | 78 Ų | 78 | 47.8 Ų | 47.8 | 42% | 0.417 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -69.2 | -45.5 | -178.6 | -71.2 | -27.3 | 0 | 0 | 0 | 110.2 | T231 P232 W233 A237 F238 L239 | T231-D235 HydrophobicContact CG2-CB 3.61Å; P232-D235 WeakPolarHBondContact CD-OD2 3.28Å; P232-D235 PolarHBondContact O-N 3.38Å; W233-D235 PolarHBondContact O-N 3.19Å; D235-A237 PolarHBondContact O-N 2.93Å; D235-F238 PolarHBondContact O-N 3.38Å; D235-L239 WeakPolarHBondContact O-CG 3.49Å; D235-L239 PolarHBondContact O-N 3.23Å |
| 236 | Q | 89.7 | Confident | 80 | Confident | 24 Ų | 24 | 46.5 Ų | 46.5 | 11% | 0.112 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.2 | -42.8 | 175.2 | -173.3 | -175.5 | -3.8 | 0 | 0 | 111.8 | P232 W233 F238 L239 S240 | P232-Q236 PolarHBondContact O-N 3.41Å; W233-Q236 PolarHBondContact O-N 3.09Å; Q236-F238 VanDerWaalsContact C-N 3.32Å; Q236-L239 PolarHBondContact O-N 3.27Å; Q236-S240 WeakPolarHBondContact O-CB 3.44Å; Q236-S240 PolarHBondContact O-N 2.75Å; Q236-S240 PolarHBondContact O-OG 3.05Å |
| 237 | A | 91.8 | Very high | 82.8 | Confident | 4 Ų | 4 | 39.2 Ų | 39.2 | 3% | 0.033 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.2 | -37.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | W233 E234 D235 H241 G242 L275 | W233-A237 HydrophobicContact CD2-CB 4.22Å; W233-A237 HydrophobicContact CE3-CB 4.21Å; W233-A237 HydrophobicContact CH2-CB 3.66Å; W233-A237 HydrophobicContact CZ2-CB 3.75Å; W233-A237 HydrophobicContact CZ3-CB 3.93Å; W233-A237 WeakPolarHBondContact O-CB 3.43Å; W233-A237 PolarHBondContact O-N 3.34Å; E234-A237 PolarHBondContact O-N 3.07Å; D235-A237 PolarHBondContact O-N 2.93Å; A237-H241 WeakPolarHBondContact O-CA 3.27Å; A237-H241 WeakPolarHBondContact O-CB 3.36Å; A237-H241 PolarHBondContact O-N 3.11Å; A237-G242 PolarHBondContact O-N 3.01Å; A237-L275 HydrophobicContact CB-CD2 3.75Å |
| 238 | F | 95.7 | Very high | 85.7 | Confident | 21 Ų | 21 | 36.1 Ų | 36.1 | 9% | 0.092 | 20% | 0.202 | C | C | . | . | I | π-helix | trans | -63.7 | -51.7 | 175.6 | 178.3 | -105.4 | 0 | 0 | 0 | 110.7 | E234 D235 Q236 S240 G242 A243 A246 Y267 K271 L275 | E234-F238 VanDerWaalsContact O-CB 3.22Å; E234-F238 WeakPolarHBondContact O-CB 3.42Å; E234-F238 PolarHBondContact O-N 3.15Å; D235-F238 PolarHBondContact O-N 3.38Å; Q236-F238 VanDerWaalsContact C-N 3.32Å; F238-S240 PolarHBondContact O-N 3.46Å; F238-G242 CarbonylContact O-C 3.5Å; F238-G242 WeakPolarHBondContact O-CA 3.42Å; F238-G242 PolarHBondContact O-N 2.91Å; F238-A243 HydrophobicContact CE1-CB 4.05Å; F238-A243 HydrophobicContact CZ-CB 4.05Å; F238-A243 PolarHBondContact O-N 2.83Å; F238-A246 HydrophobicContact CE2-CB 3.89Å; F238-A246 HydrophobicContact CZ-CB 4.27Å; F238-Y267 HydrophobicContact CZ-CE2 4.12Å; F238-Y267 AromaticContact CZ-CZ 3.88Å; F238-Y267 WeakPolarHBondContact CZ-OH 3.49Å; F238-K271 HydrophobicContact CD2-CB 4.46Å; F238-K271 HydrophobicContact CD2-CD 4.15Å; F238-K271 HydrophobicContact CD2-CG 3.78Å; F238-K271 HydrophobicContact CE2-CB 3.99Å; F238-K271 HydrophobicContact CE2-CD 3.99Å; F238-K271 HydrophobicContact CE2-CG 3.73Å; F238-L275 HydrophobicContact CB-CD2 4.22Å |
| 239 | L | 94.5 | Very high | 88.1 | Confident | 24 Ų | 24 | 29.2 Ų | 29.2 | 13% | 0.126 | 16% | 0.16 | C | C | . | . | I | π-helix | trans | -58.3 | -49.9 | 179 | -68.8 | 177.7 | 0 | 0 | 0 | 111.7 | D207 L208 Q210 Y214 D235 Q236 | D207-L239 CarbonylContact C-O 3.51Å; D207-L239 HydrophobicContact CB-CD2 3.66Å; D207-L239 WeakPolarHBondContact O-CB 3.27Å; L208-L239 VanDerWaalsContact CA-O 3.27Å; L208-L239 WeakPolarHBondContact CA-O 3.25Å; L208-L239 PolarHBondContact N-O 2.86Å; Q210-L239 HydrophobicContact CG-CD1 4.32Å; Y214-L239 HydrophobicContact CD2-CD1 3.91Å; Y214-L239 HydrophobicContact CE2-CD1 3.74Å; D235-L239 WeakPolarHBondContact O-CG 3.49Å; D235-L239 PolarHBondContact O-N 3.23Å; Q236-L239 PolarHBondContact O-N 3.27Å |
| 240 | S | 90.6 | Very high | 90.5 | Very high | 17 Ų | 17 | 26.5 Ų | 26.5 | 12% | 0.119 | 14% | 0.144 | C | C | . | . | I | π-helix | trans | -80.3 | -17.1 | -174 | 61.6 | 0 | 0 | 0 | 0 | 115.6 | Q236 F238 | Q236-S240 WeakPolarHBondContact O-CB 3.44Å; Q236-S240 PolarHBondContact O-N 2.75Å; Q236-S240 PolarHBondContact O-OG 3.05Å; F238-S240 PolarHBondContact O-N 3.46Å |
| 241 | H | 90.4 | Very high | 92.7 | Very high | 32 Ų | 32 | 21 Ų | 21 | 15% | 0.148 | 11% | 0.11 | C | C | . | . | I | π-helix | trans | -134.9 | -39.1 | -172.9 | -164.1 | 80.9 | 0 | 0 | 0 | 114.8 | A237 S274 H277 | A237-H241 WeakPolarHBondContact O-CA 3.27Å; A237-H241 WeakPolarHBondContact O-CB 3.36Å; A237-H241 PolarHBondContact O-N 3.11Å; H241-S274 PolarHBondContact CD2-O 3.41Å; H241-H277 AromaticContact CE1-ND1 3.97Å; H241-H277 AromaticContact NE2-ND1 3.32Å; H241-H277 PolarHBondContact NE2-ND1 3.35Å |
| 242 | G | 94.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.102 | C | C | . | . | I | π-helix | trans | -98.5 | -28.1 | -167.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | A237 F238 L244 L245 A246 S274 | A237-G242 PolarHBondContact O-N 3.01Å; F238-G242 CarbonylContact O-C 3.5Å; F238-G242 WeakPolarHBondContact O-CA 3.42Å; F238-G242 PolarHBondContact O-N 2.91Å; G242-L244 VanDerWaalsContact C-N 3.33Å; G242-L244 PolarHBondContact O-N 3.08Å; G242-L245 PolarHBondContact O-N 2.96Å; G242-A246 WeakPolarHBondContact O-CB 3.37Å; G242-A246 PolarHBondContact O-N 3Å; G242-S274 WeakPolarHBondContact CA-OG 3.41Å |
| 243 | A | 97.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -55.9 | -45.6 | -172.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | D207 F238 A246 K247 | D207-A243 HydrophobicContact CB-CB 3.57Å; D207-A243 WeakPolarHBondContact OD2-CB 3.49Å; F238-A243 HydrophobicContact CE1-CB 4.05Å; F238-A243 HydrophobicContact CZ-CB 4.05Å; F238-A243 PolarHBondContact O-N 2.83Å; A243-A246 PolarHBondContact O-N 2.85Å; A243-K247 WeakPolarHBondContact O-CB 3.49Å; A243-K247 WeakPolarHBondContact O-CG 3.31Å; A243-K247 PolarHBondContact O-N 2.91Å |
| 244 | L | 97.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -59 | -51 | 178.1 | -176 | 59.8 | 0 | 0 | 0 | 112.2 | T138 I141 H142 A204 L208 G242 A246 S248 | T138-L244 HydrophobicContact CG2-CD1 4.42Å; T138-L244 HydrophobicContact CG2-CD2 4.43Å; T138-L244 HydrophobicContact CG2-CG 4.09Å; I141-L244 HydrophobicContact CB-CD1 4.37Å; I141-L244 HydrophobicContact CB-CD2 4.23Å; I141-L244 HydrophobicContact CD1-CD1 4.39Å; I141-L244 HydrophobicContact CG2-CD1 4.01Å; I141-L244 HydrophobicContact CG2-CD2 3.9Å; H142-L244 HydrophobicContact CB-CD2 3.9Å; A204-L244 HydrophobicContact CB-CD1 4.18Å; L208-L244 HydrophobicContact CD1-CB 4.12Å; L208-L244 HydrophobicContact CD1-CD2 4.13Å; G242-L244 VanDerWaalsContact C-N 3.33Å; G242-L244 PolarHBondContact O-N 3.08Å; L244-A246 PolarHBondContact O-N 3.34Å; L244-S248 VanDerWaalsContact O-CB 3.25Å; L244-S248 WeakPolarHBondContact O-CB 3.48Å; L244-S248 PolarHBondContact O-N 3.39Å; L244-S248 PolarHBondContact O-OG 3.32Å |
| 245 | L | 97.6 | Very high | 95.8 | Very high | 5 Ų | 5 | 15.3 Ų | 15.3 | 3% | 0.026 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -65.8 | -43.5 | -178.3 | -177.3 | 58.2 | 0 | 0 | 0 | 111.6 | R98 I101 V102 G242 S248 C249 L273 | R98-L245 HydrophobicContact CB-CD1 4.11Å; R98-L245 HydrophobicContact CG-CD1 4.22Å; I101-L245 HydrophobicContact CB-CD1 4.08Å; I101-L245 HydrophobicContact CG2-CD1 3.89Å; I101-L245 HydrophobicContact CG2-CD2 4.47Å; V102-L245 HydrophobicContact CG2-CD1 4.48Å; G242-L245 PolarHBondContact O-N 2.96Å; L245-S248 PolarHBondContact O-N 3.42Å; L245-C249 WeakPolarHBondContact O-CB 3.28Å; L245-C249 PolarHBondContact O-N 3.49Å; L245-C249 PolarHBondContact O-SG 3.27Å; L245-L273 HydrophobicContact CD2-CD2 4.31Å |
| 246 | A | 98.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -59.8 | -49.7 | 179 | 0 | 0 | 0 | 0 | 0 | 111.8 | F238 G242 A243 L244 C249 Q250 Y267 K271 | F238-A246 HydrophobicContact CE2-CB 3.89Å; F238-A246 HydrophobicContact CZ-CB 4.27Å; G242-A246 WeakPolarHBondContact O-CB 3.37Å; G242-A246 PolarHBondContact O-N 3Å; A243-A246 PolarHBondContact O-N 2.85Å; L244-A246 PolarHBondContact O-N 3.34Å; A246-C249 PolarHBondContact O-N 2.78Å; A246-Q250 PolarHBondContact O-N 2.77Å; A246-Q250 VanDerWaalsContact O-N 3.08Å; A246-Y267 HydrophobicContact CB-CD2 3.72Å; A246-Y267 HydrophobicContact CB-CE2 3.67Å; A246-Y267 HydrophobicContact CB-CG 4.38Å; A246-Y267 WeakPolarHBondContact O-CA 3.34Å; A246-K271 HydrophobicContact CB-CB 3.94Å |
| 247 | K | 98.8 | Very high | 96.2 | Very high | 25 Ų | 25 | 15 Ų | 15 | 11% | 0.109 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -71.7 | -32.7 | -179 | -69 | 174.9 | 171.4 | -175 | 0 | 112.2 | L200 S203 A204 D207 A243 Q250 A251 Y267 | L200-K247 WeakPolarHBondContact O-CD 3.49Å; S203-K247 PolarHBondContact O-NZ 3.3Å; S203-K247 PolarHBondContact OG-NZ 2.99Å; A204-K247 HydrophobicContact CB-CB 4.07Å; A204-K247 HydrophobicContact CB-CD 3.6Å; A204-K247 HydrophobicContact CB-CG 4.41Å; D207-K247 IonicContact OD1-NZ 2.83Å; D207-K247 VanDerWaalsContact OD2-CE 3.23Å; D207-K247 WeakPolarHBondContact OD2-CE 3.46Å; D207-K247 IonicContact OD2-NZ 2.84Å; D207-K247 PolarHBondContact OD2-NZ 3.32Å; A243-K247 WeakPolarHBondContact O-CB 3.49Å; A243-K247 WeakPolarHBondContact O-CG 3.31Å; A243-K247 PolarHBondContact O-N 2.91Å; K247-Q250 WeakPolarHBondContact O-CB 3.24Å; K247-Q250 PolarHBondContact O-N 3.32Å; K247-A251 VanDerWaalsContact O-CB 3.28Å; K247-A251 WeakPolarHBondContact O-CB 3.44Å; K247-A251 PolarHBondContact O-N 2.95Å; K247-Y267 HydrophobicContact CG-CD2 4.47Å; K247-Y267 HydrophobicContact CG-CE2 4.2Å |
| 248 | S | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -66.4 | -40 | 171.4 | -67.4 | 0 | 0 | 0 | 0 | 112.8 | T138 I201 L244 L245 Q250 A251 A252 | T138-S248 VanDerWaalsContact CG2-OG 3.28Å; T138-S248 WeakPolarHBondContact CG2-OG 2.92Å; T138-S248 VanDerWaalsContact OG1-CB 3.32Å; T138-S248 WeakPolarHBondContact OG1-CB 3.43Å; T138-S248 PolarHBondContact OG1-OG 3.41Å; I201-S248 WeakPolarHBondContact CD1-OG 3.35Å; L244-S248 VanDerWaalsContact O-CB 3.25Å; L244-S248 WeakPolarHBondContact O-CB 3.48Å; L244-S248 PolarHBondContact O-N 3.39Å; L244-S248 PolarHBondContact O-OG 3.32Å; L245-S248 PolarHBondContact O-N 3.42Å; S248-Q250 VanDerWaalsContact C-N 3.33Å; S248-Q250 PolarHBondContact O-N 3Å; S248-A251 PolarHBondContact O-N 2.74Å; S248-A252 PolarHBondContact O-N 3.41Å |
| 249 | C | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -61.4 | -44 | 173.6 | -70.3 | 0 | 0 | 0 | 0 | 111.2 | L105 L245 A246 A252 M253 A266 | L105-C249 HydrophobicContact CD2-CB 3.44Å; L105-C249 VanDerWaalsContact CD2-CB 3.44Å; L245-C249 WeakPolarHBondContact O-CB 3.28Å; L245-C249 PolarHBondContact O-N 3.49Å; L245-C249 PolarHBondContact O-SG 3.27Å; A246-C249 PolarHBondContact O-N 2.78Å; C249-A252 PolarHBondContact O-N 3.14Å; C249-M253 PolarHBondContact O-N 3.39Å; C249-A266 HydrophobicContact CB-CB 4.27Å; C249-A266 WeakPolarHBondContact CB-O 3.35Å; C249-A266 WeakPolarHBondContact O-CB 3.28Å |
| 250 | Q | 98.8 | Very high | 96.4 | Very high | 42 Ų | 42 | 29.6 Ų | 29.6 | 20% | 0.196 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.8 | -47.4 | 174.2 | -169.9 | 179.6 | 3.8 | 0 | 0 | 112.3 | L200 A246 K247 S248 A252 M253 Q254 Q263 | L200-Q250 HydrophobicContact CD1-CB 4.46Å; L200-Q250 HydrophobicContact CD1-CG 4.11Å; A246-Q250 PolarHBondContact O-N 2.77Å; A246-Q250 VanDerWaalsContact O-N 3.08Å; K247-Q250 WeakPolarHBondContact O-CB 3.24Å; K247-Q250 PolarHBondContact O-N 3.32Å; S248-Q250 VanDerWaalsContact C-N 3.33Å; S248-Q250 PolarHBondContact O-N 3Å; Q250-A252 VanDerWaalsContact C-N 3.27Å; Q250-A252 PolarHBondContact O-N 3.32Å; Q250-M253 WeakPolarHBondContact O-CB 3.43Å; Q250-M253 PolarHBondContact O-N 3.33Å; Q250-M253 VanDerWaalsContact O-N 3.16Å; Q250-Q254 PolarHBondContact O-N 3.14Å; Q250-Q263 HydrophobicContact CG-CB 4.09Å |
| 251 | A | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.1 | -34.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L134 V197 L200 I201 K247 S248 M253 Q254 L255 | L134-A251 HydrophobicContact CD1-CB 4.33Å; L134-A251 HydrophobicContact CD2-CB 3.61Å; V197-A251 HydrophobicContact CB-CB 4.49Å; V197-A251 HydrophobicContact CG1-CB 3.99Å; V197-A251 HydrophobicContact CG2-CB 4.19Å; L200-A251 HydrophobicContact CD1-CB 4.13Å; I201-A251 HydrophobicContact CD1-CB 4.23Å; K247-A251 VanDerWaalsContact O-CB 3.28Å; K247-A251 WeakPolarHBondContact O-CB 3.44Å; K247-A251 PolarHBondContact O-N 2.95Å; S248-A251 PolarHBondContact O-N 2.74Å; A251-M253 VanDerWaalsContact C-N 3.31Å; A251-M253 PolarHBondContact O-N 3.45Å; A251-Q254 WeakPolarHBondContact O-CB 3.22Å; A251-Q254 PolarHBondContact O-N 3.26Å; A251-L255 WeakPolarHBondContact O-CG 3.24Å; A251-L255 PolarHBondContact O-N 2.98Å |
| 252 | A | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.6 | -38 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | V102 Q131 L134 S248 C249 Q250 A256 | V102-A252 HydrophobicContact CG1-CB 3.99Å; Q131-A252 PolarHBondContact NE2-O 3.04Å; L134-A252 HydrophobicContact CD2-CB 4.03Å; L134-A252 VanDerWaalsContact CD2-N 3.34Å; S248-A252 PolarHBondContact O-N 3.41Å; C249-A252 PolarHBondContact O-N 3.14Å; Q250-A252 VanDerWaalsContact C-N 3.27Å; Q250-A252 PolarHBondContact O-N 3.32Å; A252-A256 PolarHBondContact O-N 3.45Å |
| 253 | M | 97.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -70.5 | -39.2 | 174.5 | -65.2 | -55.4 | 98.5 | 0 | 0 | 111.7 | L105 A109 C249 Q250 A251 A256 K257 H258 Q263 A266 F366 | L105-M253 HydrophobicContact CG-CE 4.25Å; A109-M253 HydrophobicContact CB-CE 3.67Å; A109-M253 HydrophobicContact CB-SD 3.5Å; A109-M253 WeakPolarHBondContact CB-SD 3.49Å; C249-M253 PolarHBondContact O-N 3.39Å; Q250-M253 WeakPolarHBondContact O-CB 3.43Å; Q250-M253 PolarHBondContact O-N 3.33Å; Q250-M253 VanDerWaalsContact O-N 3.16Å; A251-M253 VanDerWaalsContact C-N 3.31Å; A251-M253 PolarHBondContact O-N 3.45Å; M253-A256 CarbonylContact O-C 3.57Å; M253-A256 PolarHBondContact O-N 2.84Å; M253-K257 PolarHBondContact O-N 3.11Å; M253-H258 HydrophobicContact CB-CB 4.14Å; M253-H258 PolarHBondContact O-N 3.32Å; M253-H258 HydrophobicContact SD-CB 4.48Å; M253-Q263 HydrophobicContact CB-CB 4.31Å; M253-Q263 HydrophobicContact CB-CG 3.63Å; M253-A266 HydrophobicContact CG-CB 3.42Å; M253-A266 VanDerWaalsContact CG-CB 3.42Å; M253-F366 HydrophobicContact SD-CE1 3.8Å; M253-F366 HydrophobicContact SD-CZ 4.39Å |
| 254 | Q | 97.4 | Very high | 97.4 | Very high | 35 Ų | 35 | 38.9 Ų | 38.9 | 16% | 0.164 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.4 | -43.3 | 174.5 | 172.7 | 64.3 | 16.4 | 0 | 0 | 112 | K196 V197 Q250 A251 A256 K257 | K196-Q254 HydrophobicContact CB-CG 4.38Å; K196-Q254 HydrophobicContact CG-CG 4.45Å; V197-Q254 HydrophobicContact CG2-CB 4.24Å; V197-Q254 HydrophobicContact CG2-CG 3.78Å; Q250-Q254 PolarHBondContact O-N 3.14Å; A251-Q254 WeakPolarHBondContact O-CB 3.22Å; A251-Q254 PolarHBondContact O-N 3.26Å; Q254-A256 VanDerWaalsContact C-N 3.29Å; Q254-A256 PolarHBondContact O-N 2.97Å; Q254-K257 PolarHBondContact O-N 3.07Å; Q254-K257 VanDerWaalsContact O-N 3.1Å |
| 255 | L | 95.6 | Very high | 97.4 | Very high | 15 Ų | 15 | 40 Ų | 40 | 8% | 0.079 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.7 | -37.2 | 177 | -74.3 | 172.9 | 0 | 0 | 0 | 112.6 | S130 Q131 L134 L192 D194 V197 A251 K257 | S130-L255 WeakPolarHBondContact O-CD1 3.16Å; Q131-L255 HydrophobicContact CG-CB 4.19Å; Q131-L255 HydrophobicContact CG-CD1 4.42Å; L134-L255 HydrophobicContact CB-CD1 3.81Å; L134-L255 HydrophobicContact CD2-CD1 3.69Å; L134-L255 HydrophobicContact CG-CD1 4.31Å; L192-L255 HydrophobicContact CD1-CD1 4.37Å; D194-L255 HydrophobicContact CB-CD2 4.16Å; V197-L255 HydrophobicContact CG2-CD2 3.79Å; V197-L255 HydrophobicContact CG2-CG 3.81Å; A251-L255 WeakPolarHBondContact O-CG 3.24Å; A251-L255 PolarHBondContact O-N 2.98Å; L255-K257 VanDerWaalsContact C-N 3.26Å; L255-K257 PolarHBondContact O-N 3.3Å |
| 256 | A | 94.1 | Very high | 97.5 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.008 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | 4.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | S112 Y128 A252 M253 Q254 H258 | S112-A256 WeakPolarHBondContact CB-O 3.42Å; Y128-A256 HydrophobicContact CD2-CB 3.83Å; Y128-A256 HydrophobicContact CE2-CB 3.62Å; A252-A256 PolarHBondContact O-N 3.45Å; M253-A256 CarbonylContact O-C 3.57Å; M253-A256 PolarHBondContact O-N 2.84Å; Q254-A256 VanDerWaalsContact C-N 3.29Å; Q254-A256 PolarHBondContact O-N 2.97Å; A256-H258 PolarHBondContact O-N 3.07Å |
| 257 | K | 94.7 | Very high | 97.5 | Very high | 95 Ų | 95 | 42.3 Ų | 42.3 | 41% | 0.413 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 35.9 | 179.9 | -49.7 | -59.5 | 174 | -165.8 | 0 | 113.1 | S112 D194 M253 Q254 L255 | S112-K257 WeakPolarHBondContact CB-O 3.22Å; S112-K257 PolarHBondContact OG-O 3.22Å; D194-K257 IonicContact OD2-NZ 3.41Å; D194-K257 PolarHBondContact OD2-NZ 3.45Å; M253-K257 PolarHBondContact O-N 3.11Å; Q254-K257 PolarHBondContact O-N 3.07Å; Q254-K257 VanDerWaalsContact O-N 3.1Å; L255-K257 VanDerWaalsContact C-N 3.26Å; L255-K257 PolarHBondContact O-N 3.3Å |
| 258 | H | 95.4 | Very high | 97.5 | Very high | 28 Ų | 28 | 43.1 Ų | 43.1 | 13% | 0.13 | 19% | 0.192 | C | C | . | . | trans | -72.2 | 155.5 | 167.1 | -77.3 | -70.2 | 0 | 0 | 0 | 110.6 | G110 M253 A256 A262 Q263 | G110-H258 PolarHBondContact O-CE1 3.49Å; G110-H258 PolarHBondContact O-NE2 3.3Å; M253-H258 HydrophobicContact CB-CB 4.14Å; M253-H258 PolarHBondContact O-N 3.32Å; M253-H258 HydrophobicContact SD-CB 4.48Å; A256-H258 PolarHBondContact O-N 3.07Å; H258-A262 HydrophobicContact CB-CB 3.88Å; H258-Q263 PolarHBondContact O-NE2 3.25Å | ||
| 259 | D | 95.7 | Very high | 97.5 | Very high | 105 Ų | 105 | 43.1 Ų | 43.1 | 56% | 0.561 | 19% | 0.192 | S | C | * | . | trans | -66.4 | 172.8 | -178.8 | 70.6 | 21.9 | 0 | 0 | 0 | 113 | E261 A262 Q263 | D259-E261 PolarHBondContact O-N 2.97Å; D259-E261 PolarHBondContact OD1-N 3.5Å; D259-A262 PolarHBondContact O-N 3.37Å; D259-A262 WeakPolarHBondContact OD1-CB 3.07Å; D259-A262 PolarHBondContact OD1-N 2.91Å; D259-Q263 VanDerWaalsContact O-CG 3.27Å; D259-Q263 WeakPolarHBondContact O-CG 3.09Å; D259-Q263 PolarHBondContact O-N 2.84Å; D259-Q263 VanDerWaalsContact O-N 3.09Å | ||
| 260 | R | 96.8 | Very high | 97.5 | Very high | 222 Ų | 222 | 43.1 Ų | 43.1 | 84% | 0.838 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -63.5 | -27.8 | -178.3 | -70.2 | -171.9 | 179.8 | -175.1 | 1 | 113 | R264 | R260-R264 WeakPolarHBondContact O-CB 3.49Å; R260-R264 PolarHBondContact O-N 3.36Å |
| 261 | E | 97.4 | Very high | 97.4 | Very high | 87 Ų | 87 | 43.9 Ų | 43.9 | 41% | 0.407 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -76.5 | -45.2 | -177.4 | -178.2 | 55 | -160 | 0 | 0 | 110.7 | D259 Q263 R264 L265 | D259-E261 PolarHBondContact O-N 2.97Å; D259-E261 PolarHBondContact OD1-N 3.5Å; E261-Q263 VanDerWaalsContact C-N 3.3Å; E261-Q263 PolarHBondContact O-N 3.18Å; E261-R264 WeakPolarHBondContact O-CB 3.07Å; E261-R264 PolarHBondContact O-N 3.22Å; E261-R264 VanDerWaalsContact O-N 3.11Å; E261-R264 IonicContact OE1-CZ 2.77Å; E261-R264 IonicContact OE1-NE 3.34Å; E261-R264 PolarHBondContact OE1-NE 2.99Å; E261-R264 IonicContact OE1-NH2 3.22Å; E261-R264 PolarHBondContact OE1-NH2 3.32Å; E261-R264 IonicContact OE2-CZ 3.16Å; E261-R264 IonicContact OE2-NE 2.84Å; E261-R264 PolarHBondContact OE2-NE 3.35Å; E261-R264 IonicContact OE2-NH2 2.62Å; E261-L265 HydrophobicContact CG-CD1 4.04Å; E261-L265 WeakPolarHBondContact O-CG 3.08Å; E261-L265 PolarHBondContact O-N 3.01Å |
| 262 | A | 97.5 | Very high | 97.4 | Very high | 16 Ų | 16 | 44.9 Ų | 44.9 | 13% | 0.132 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.6 | -41.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | H258 D259 R264 L265 A266 | H258-A262 HydrophobicContact CB-CB 3.88Å; D259-A262 PolarHBondContact O-N 3.37Å; D259-A262 WeakPolarHBondContact OD1-CB 3.07Å; D259-A262 PolarHBondContact OD1-N 2.91Å; A262-R264 PolarHBondContact O-N 3.14Å; A262-L265 PolarHBondContact O-N 3.34Å; A262-A266 VanDerWaalsContact O-CB 3.28Å; A262-A266 WeakPolarHBondContact O-CB 3.28Å; A262-A266 PolarHBondContact O-N 3.49Å |
| 263 | Q | 98.5 | Very high | 97.3 | Very high | 23 Ų | 23 | 45 Ų | 45 | 11% | 0.107 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.5 | -43.9 | 172.9 | -71.2 | 180 | 38.5 | 0 | 0 | 112.3 | Q250 M253 H258 D259 E261 Y267 | Q250-Q263 HydrophobicContact CG-CB 4.09Å; M253-Q263 HydrophobicContact CB-CB 4.31Å; M253-Q263 HydrophobicContact CB-CG 3.63Å; H258-Q263 PolarHBondContact O-NE2 3.25Å; D259-Q263 VanDerWaalsContact O-CG 3.27Å; D259-Q263 WeakPolarHBondContact O-CG 3.09Å; D259-Q263 PolarHBondContact O-N 2.84Å; D259-Q263 VanDerWaalsContact O-N 3.09Å; E261-Q263 VanDerWaalsContact C-N 3.3Å; E261-Q263 PolarHBondContact O-N 3.18Å; Q263-Y267 PolarHBondContact O-N 2.98Å |
| 264 | R | 98.7 | Very high | 97.2 | Very high | 117 Ų | 117 | 45.2 Ų | 45.2 | 44% | 0.442 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -65.7 | -43.7 | 178.3 | -171.8 | -169.7 | 74.6 | 82.7 | 5.4 | 111.9 | R260 E261 A262 Y267 L268 | R260-R264 WeakPolarHBondContact O-CB 3.49Å; R260-R264 PolarHBondContact O-N 3.36Å; E261-R264 WeakPolarHBondContact O-CB 3.07Å; E261-R264 PolarHBondContact O-N 3.22Å; E261-R264 VanDerWaalsContact O-N 3.11Å; E261-R264 IonicContact OE1-CZ 2.77Å; E261-R264 IonicContact OE1-NE 3.34Å; E261-R264 PolarHBondContact OE1-NE 2.99Å; E261-R264 IonicContact OE1-NH2 3.22Å; E261-R264 PolarHBondContact OE1-NH2 3.32Å; E261-R264 IonicContact OE2-CZ 3.16Å; E261-R264 IonicContact OE2-NE 2.84Å; E261-R264 PolarHBondContact OE2-NE 3.35Å; E261-R264 IonicContact OE2-NH2 2.62Å; A262-R264 PolarHBondContact O-N 3.14Å; R264-Y267 WeakPolarHBondContact O-CB 3.48Å; R264-Y267 PolarHBondContact O-N 3.47Å; R264-L268 WeakPolarHBondContact O-CG 3.41Å; R264-L268 PolarHBondContact O-N 2.99Å |
| 265 | L | 98.6 | Very high | 97.1 | Very high | 25 Ų | 25 | 43.7 Ų | 43.7 | 13% | 0.131 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.4 | -40.9 | 178.2 | -69.7 | 164.4 | 0 | 0 | 0 | 111.4 | E261 A262 Y267 L268 Y269 A365 F366 | E261-L265 HydrophobicContact CG-CD1 4.04Å; E261-L265 WeakPolarHBondContact O-CG 3.08Å; E261-L265 PolarHBondContact O-N 3.01Å; A262-L265 PolarHBondContact O-N 3.34Å; L265-Y267 PolarHBondContact O-N 2.87Å; L265-L268 PolarHBondContact O-N 3.43Å; L265-Y269 PolarHBondContact O-N 3.36Å; L265-A365 HydrophobicContact CD1-CB 3.6Å; L265-A365 HydrophobicContact CD2-CB 4.47Å; L265-F366 HydrophobicContact CB-CE2 3.84Å; L265-F366 HydrophobicContact CB-CZ 4.26Å |
| 266 | A | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.3 | -45.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L105 C249 M253 A262 Y269 G270 F366 | L105-A266 HydrophobicContact CD2-CB 3.59Å; L105-A266 HydrophobicContact CG-CB 4.49Å; C249-A266 HydrophobicContact CB-CB 4.27Å; C249-A266 WeakPolarHBondContact CB-O 3.35Å; C249-A266 WeakPolarHBondContact O-CB 3.28Å; M253-A266 HydrophobicContact CG-CB 3.42Å; M253-A266 VanDerWaalsContact CG-CB 3.42Å; A262-A266 VanDerWaalsContact O-CB 3.28Å; A262-A266 WeakPolarHBondContact O-CB 3.28Å; A262-A266 PolarHBondContact O-N 3.49Å; A266-Y269 PolarHBondContact O-N 3.47Å; A266-G270 PolarHBondContact O-N 3.04Å; A266-G270 VanDerWaalsContact O-N 3.1Å; A266-F366 HydrophobicContact CB-CZ 4.16Å |
| 267 | Y | 98.8 | Very high | 96.8 | Very high | 53 Ų | 53 | 44 Ų | 44 | 21% | 0.208 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -57.7 | -48.4 | 173.6 | 172.6 | -91.5 | 0 | 0 | 0 | 111.7 | F238 A246 K247 Q263 R264 L265 Y269 G270 K271 | F238-Y267 HydrophobicContact CZ-CE2 4.12Å; F238-Y267 AromaticContact CZ-CZ 3.88Å; F238-Y267 WeakPolarHBondContact CZ-OH 3.49Å; A246-Y267 HydrophobicContact CB-CD2 3.72Å; A246-Y267 HydrophobicContact CB-CE2 3.67Å; A246-Y267 HydrophobicContact CB-CG 4.38Å; A246-Y267 WeakPolarHBondContact O-CA 3.34Å; K247-Y267 HydrophobicContact CG-CD2 4.47Å; K247-Y267 HydrophobicContact CG-CE2 4.2Å; Q263-Y267 PolarHBondContact O-N 2.98Å; R264-Y267 WeakPolarHBondContact O-CB 3.48Å; R264-Y267 PolarHBondContact O-N 3.47Å; L265-Y267 PolarHBondContact O-N 2.87Å; Y267-Y269 PolarHBondContact O-N 3.07Å; Y267-G270 PolarHBondContact O-N 2.96Å; Y267-K271 HydrophobicContact CE1-CB 4.44Å; Y267-K271 HydrophobicContact CE1-CD 4.02Å; Y267-K271 WeakPolarHBondContact O-CB 3.31Å; Y267-K271 PolarHBondContact O-N 3.28Å |
| 268 | L | 98.8 | Very high | 96.6 | Very high | 42 Ų | 42 | 40.9 Ų | 40.9 | 22% | 0.22 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.3 | -41.4 | -179.3 | -74.1 | 178.9 | 0 | 0 | 0 | 112.3 | R264 L265 K271 H272 A362 | R264-L268 WeakPolarHBondContact O-CG 3.41Å; R264-L268 PolarHBondContact O-N 2.99Å; L265-L268 PolarHBondContact O-N 3.43Å; L268-K271 PolarHBondContact O-N 2.97Å; L268-H272 WeakPolarHBondContact O-CB 3.12Å; L268-H272 PolarHBondContact O-CD2 3.17Å; L268-H272 PolarHBondContact O-N 3.1Å; L268-A362 HydrophobicContact CB-CB 4.14Å |
| 269 | Y | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57 | -53.4 | 174 | 177.8 | -95.8 | 0 | 0 | 0 | 111 | I101 L105 L265 A266 Y267 K271 H272 L273 A359 I363 L375 A379 | I101-Y269 HydrophobicContact CG2-CD1 4.38Å; I101-Y269 HydrophobicContact CG2-CE1 3.79Å; L105-Y269 HydrophobicContact CD1-CD1 4.45Å; L265-Y269 PolarHBondContact O-N 3.36Å; A266-Y269 PolarHBondContact O-N 3.47Å; Y267-Y269 PolarHBondContact O-N 3.07Å; Y269-K271 PolarHBondContact O-N 3.18Å; Y269-H272 PolarHBondContact O-N 2.93Å; Y269-L273 HydrophobicContact CE1-CD2 3.79Å; Y269-L273 WeakPolarHBondContact O-CB 3.5Å; Y269-L273 PolarHBondContact O-N 3.41Å; Y269-A359 HydrophobicContact CD2-CB 4.1Å; Y269-A359 VanDerWaalsContact CD2-O 3.32Å; Y269-A359 WeakPolarHBondContact CD2-O 3.21Å; Y269-A359 HydrophobicContact CE2-CB 4.22Å; Y269-I363 HydrophobicContact CD2-CB 3.7Å; Y269-I363 HydrophobicContact CD2-CD1 4.46Å; Y269-I363 HydrophobicContact CD2-CG1 4.34Å; Y269-I363 HydrophobicContact CD2-CG2 4.3Å; Y269-I363 HydrophobicContact CE2-CB 3.93Å; Y269-I363 HydrophobicContact CE2-CG1 4.32Å; Y269-I363 HydrophobicContact CE2-CG2 4.18Å; Y269-L375 HydrophobicContact CE1-CD2 3.68Å; Y269-L375 HydrophobicContact CE2-CB 4.26Å; Y269-L375 WeakPolarHBondContact OH-CA 3.38Å; Y269-L375 WeakPolarHBondContact OH-CB 3.27Å; Y269-L375 VanDerWaalsContact OH-CD2 3.27Å; Y269-L375 WeakPolarHBondContact OH-CD2 3.34Å; Y269-L375 PolarHBondContact OH-O 3.31Å; Y269-L375 VanDerWaalsContact OH-O 3.09Å; Y269-A379 HydrophobicContact CE2-CB 4.43Å |
| 270 | G | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.3 | -39 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | A266 Y267 S274 | A266-G270 PolarHBondContact O-N 3.04Å; A266-G270 VanDerWaalsContact O-N 3.1Å; Y267-G270 PolarHBondContact O-N 2.96Å; G270-S274 WeakPolarHBondContact O-CB 3.42Å; G270-S274 PolarHBondContact O-N 3.06Å; G270-S274 VanDerWaalsContact O-N 3.13Å; G270-S274 PolarHBondContact O-OG 3.47Å |
| 271 | K | 98.3 | Very high | 95.7 | Very high | 58 Ų | 58 | 26.4 Ų | 26.4 | 25% | 0.252 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -61.3 | -53.6 | 175.8 | 172.8 | 172.6 | -179.1 | 175.6 | 0 | 111.4 | F238 A246 Y267 L268 Y269 S274 L275 | F238-K271 HydrophobicContact CD2-CB 4.46Å; F238-K271 HydrophobicContact CD2-CD 4.15Å; F238-K271 HydrophobicContact CD2-CG 3.78Å; F238-K271 HydrophobicContact CE2-CB 3.99Å; F238-K271 HydrophobicContact CE2-CD 3.99Å; F238-K271 HydrophobicContact CE2-CG 3.73Å; A246-K271 HydrophobicContact CB-CB 3.94Å; Y267-K271 HydrophobicContact CE1-CB 4.44Å; Y267-K271 HydrophobicContact CE1-CD 4.02Å; Y267-K271 WeakPolarHBondContact O-CB 3.31Å; Y267-K271 PolarHBondContact O-N 3.28Å; L268-K271 PolarHBondContact O-N 2.97Å; Y269-K271 PolarHBondContact O-N 3.18Å; K271-S274 PolarHBondContact O-OG 2.81Å; K271-L275 HydrophobicContact CG-CD1 4.04Å; K271-L275 WeakPolarHBondContact O-CG 3.45Å; K271-L275 PolarHBondContact O-N 3.35Å; K271-L275 VanDerWaalsContact O-N 3.13Å |
| 272 | H | 98.1 | Very high | 95.3 | Very high | 20 Ų | 20 | 22.7 Ų | 22.7 | 9% | 0.093 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -72.3 | -38.1 | -175.2 | -74 | -56.5 | 0 | 0 | 0 | 112.2 | L268 Y269 S274 L275 G276 H355 R358 A359 | L268-H272 WeakPolarHBondContact O-CB 3.12Å; L268-H272 PolarHBondContact O-CD2 3.17Å; L268-H272 PolarHBondContact O-N 3.1Å; Y269-H272 PolarHBondContact O-N 2.93Å; H272-S274 PolarHBondContact O-N 3.44Å; H272-L275 PolarHBondContact O-N 3.18Å; H272-G276 PolarHBondContact O-N 3.36Å; H272-H355 HydrophobicContact CB-CB 4.43Å; H272-H355 WeakPolarHBondContact CB-O 3.32Å; H272-H355 AromaticContact CE1-ND1 3.76Å; H272-H355 AromaticContact ND1-CE1 3.81Å; H272-H355 AromaticContact ND1-CG 3.95Å; H272-H355 AromaticContact ND1-ND1 3.06Å; H272-H355 PolarHBondContact ND1-ND1 2.97Å; H272-H355 WeakPolarHBondContact O-CB 3.31Å; H272-R358 HydrophobicContact CB-CB 4.15Å; H272-R358 VanDerWaalsContact CD2-CB 3.48Å; H272-R358 WeakPolarHBondContact CD2-CB 3.09Å; H272-A359 HydrophobicContact CB-CB 3.93Å |
| 273 | L | 96.2 | Very high | 94.9 | Very high | 3 Ų | 3 | 21.9 Ų | 21.9 | 2% | 0.016 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -60.2 | -46.1 | 175.5 | -179.6 | 66.9 | 0 | 0 | 0 | 111.7 | I101 L245 Y269 G276 H277 A359 I378 A379 V382 | I101-L273 HydrophobicContact CD1-CD2 3.57Å; I101-L273 HydrophobicContact CG1-CD2 3.84Å; I101-L273 HydrophobicContact CG2-CD2 4.2Å; L245-L273 HydrophobicContact CD2-CD2 4.31Å; Y269-L273 HydrophobicContact CE1-CD2 3.79Å; Y269-L273 WeakPolarHBondContact O-CB 3.5Å; Y269-L273 PolarHBondContact O-N 3.41Å; L273-G276 PolarHBondContact O-N 2.78Å; L273-H277 WeakPolarHBondContact O-CB 3.31Å; L273-H277 PolarHBondContact O-N 3.23Å; L273-A359 HydrophobicContact CB-CB 4.5Å; L273-I378 HydrophobicContact CD1-CG2 3.99Å; L273-I378 HydrophobicContact CD2-CG2 4.31Å; L273-A379 HydrophobicContact CD1-CB 4.31Å; L273-V382 HydrophobicContact CD1-CG2 3.87Å |
| 274 | S | 94.7 | Very high | 94.3 | Very high | 5 Ų | 5 | 23 Ų | 23 | 4% | 0.035 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -67.4 | -40.8 | -179.1 | 54.4 | 0 | 0 | 0 | 0 | 113 | H241 G242 G270 K271 H272 H277 K278 | H241-S274 PolarHBondContact CD2-O 3.41Å; G242-S274 WeakPolarHBondContact CA-OG 3.41Å; G270-S274 WeakPolarHBondContact O-CB 3.42Å; G270-S274 PolarHBondContact O-N 3.06Å; G270-S274 VanDerWaalsContact O-N 3.13Å; G270-S274 PolarHBondContact O-OG 3.47Å; K271-S274 PolarHBondContact O-OG 2.81Å; H272-S274 PolarHBondContact O-N 3.44Å; S274-H277 PolarHBondContact O-N 3.22Å; S274-K278 PolarHBondContact O-N 2.6Å |
| 275 | L | 95.3 | Very high | 93.6 | Very high | 2 Ų | 2 | 18.3 Ų | 18.3 | 1% | 0.01 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -65.1 | -43.9 | 174.6 | -70.8 | 171.5 | 0 | 0 | 0 | 111.8 | A237 F238 K271 H272 H277 K278 L279 H355 | A237-L275 HydrophobicContact CB-CD2 3.75Å; F238-L275 HydrophobicContact CB-CD2 4.22Å; K271-L275 HydrophobicContact CG-CD1 4.04Å; K271-L275 WeakPolarHBondContact O-CG 3.45Å; K271-L275 PolarHBondContact O-N 3.35Å; K271-L275 VanDerWaalsContact O-N 3.13Å; H272-L275 PolarHBondContact O-N 3.18Å; L275-H277 VanDerWaalsContact C-N 3.33Å; L275-H277 PolarHBondContact O-N 3.29Å; L275-K278 PolarHBondContact O-N 3.38Å; L275-L279 WeakPolarHBondContact O-CG 3.17Å; L275-L279 PolarHBondContact O-N 3.28Å; L275-H355 WeakPolarHBondContact CB-CD2 3.32Å |
| 276 | G | 93.8 | Very high | 93 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -58.3 | -45.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | H272 L273 K278 L279 N280 C352 V382 | H272-G276 PolarHBondContact O-N 3.36Å; L273-G276 PolarHBondContact O-N 2.78Å; G276-K278 PolarHBondContact O-N 2.88Å; G276-L279 PolarHBondContact O-N 3.37Å; G276-N280 PolarHBondContact O-N 3.22Å; G276-C352 PolarHBondContact O-SG 3Å; G276-C352 VanDerWaalsContact O-SG 3.4Å; G276-V382 VanDerWaalsContact O-CG1 3.27Å; G276-V382 WeakPolarHBondContact O-CG1 3.42Å |
| 277 | H | 90.6 | Very high | 92.2 | Very high | 22 Ų | 22 | 20.7 Ų | 20.7 | 10% | 0.102 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61.9 | -42.9 | 177.4 | 175.4 | -93 | 0 | 0 | 0 | 111.9 | M97 H241 L273 S274 L275 N280 S281 V382 | M97-H277 WeakPolarHBondContact CE-NE2 3.48Å; H241-H277 AromaticContact CE1-ND1 3.97Å; H241-H277 AromaticContact NE2-ND1 3.32Å; H241-H277 PolarHBondContact NE2-ND1 3.35Å; L273-H277 WeakPolarHBondContact O-CB 3.31Å; L273-H277 PolarHBondContact O-N 3.23Å; S274-H277 PolarHBondContact O-N 3.22Å; L275-H277 VanDerWaalsContact C-N 3.33Å; L275-H277 PolarHBondContact O-N 3.29Å; H277-N280 PolarHBondContact O-N 3.27Å; H277-S281 PolarHBondContact O-N 3.01Å; H277-V382 HydrophobicContact CB-CG2 4.47Å |
| 278 | K | 91 | Very high | 90.9 | Very high | 31 Ų | 31 | 21.4 Ų | 21.4 | 14% | 0.135 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.6 | -44 | 175.4 | -177.3 | 60.3 | 171.4 | 76.8 | 0 | 111.8 | W233 S274 L275 G276 S281 D282 | W233-K278 HydrophobicContact CH2-CB 4.45Å; W233-K278 HydrophobicContact CH2-CG 4.15Å; W233-K278 HydrophobicContact CZ2-CG 3.89Å; S274-K278 PolarHBondContact O-N 2.6Å; L275-K278 PolarHBondContact O-N 3.38Å; G276-K278 PolarHBondContact O-N 2.88Å; K278-S281 PolarHBondContact O-N 3.33Å; K278-D282 IonicContact NZ-OD1 3.44Å; K278-D282 PolarHBondContact NZ-OD1 3.09Å; K278-D282 IonicContact NZ-OD2 3.84Å; K278-D282 PolarHBondContact NZ-OD2 3.34Å; K278-D282 WeakPolarHBondContact O-CB 3.39Å; K278-D282 PolarHBondContact O-N 3.08Å |
| 279 | L | 92.1 | Very high | 89 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.6 | -44.5 | 175.3 | -75.6 | 161.6 | 0 | 0 | 0 | 111.8 | W233 L275 G276 S281 D282 L283 A302 A348 L351 C352 | W233-L279 HydrophobicContact CE3-CD2 4.34Å; W233-L279 HydrophobicContact CH2-CD1 4.21Å; W233-L279 HydrophobicContact CH2-CD2 3.5Å; W233-L279 VanDerWaalsContact CH2-CD2 3.5Å; W233-L279 HydrophobicContact CH2-CG 3.45Å; W233-L279 VanDerWaalsContact CH2-CG 3.45Å; W233-L279 HydrophobicContact CZ2-CD2 3.98Å; W233-L279 HydrophobicContact CZ2-CG 4.27Å; W233-L279 HydrophobicContact CZ3-CD1 4.09Å; W233-L279 HydrophobicContact CZ3-CD2 3.67Å; W233-L279 HydrophobicContact CZ3-CG 3.78Å; L275-L279 WeakPolarHBondContact O-CG 3.17Å; L275-L279 PolarHBondContact O-N 3.28Å; G276-L279 PolarHBondContact O-N 3.37Å; L279-S281 VanDerWaalsContact C-N 3.32Å; L279-S281 PolarHBondContact O-N 3.12Å; L279-D282 PolarHBondContact O-N 2.98Å; L279-L283 WeakPolarHBondContact O-CB 3.13Å; L279-L283 WeakPolarHBondContact O-CD1 3.13Å; L279-L283 VanDerWaalsContact O-CG 3.29Å; L279-L283 WeakPolarHBondContact O-CG 3.14Å; L279-L283 PolarHBondContact O-N 3.43Å; L279-A302 HydrophobicContact CD2-CB 3.42Å; L279-A302 VanDerWaalsContact CD2-CB 3.42Å; L279-A348 HydrophobicContact CD2-CB 4.32Å; L279-L351 HydrophobicContact CD1-CB 3.99Å; L279-L351 HydrophobicContact CD1-CD2 3.96Å; L279-L351 HydrophobicContact CD1-CG 3.72Å; L279-L351 HydrophobicContact CD2-CD2 4.21Å; L279-C352 HydrophobicContact CB-CB 3.76Å; L279-C352 HydrophobicContact CD1-CB 4.09Å; L279-C352 HydrophobicContact CG-CB 4.5Å |
| 280 | N | 89.6 | Confident | 86.9 | Confident | 24 Ų | 24 | 29.3 Ų | 29.3 | 13% | 0.128 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58 | -47.7 | 177.7 | -176.4 | -78.2 | 0 | 0 | 0 | 111.2 | G276 H277 D282 L283 Q284 V382 K384 F385 | G276-N280 PolarHBondContact O-N 3.22Å; H277-N280 PolarHBondContact O-N 3.27Å; N280-D282 PolarHBondContact O-N 3.48Å; N280-L283 PolarHBondContact O-N 2.92Å; N280-Q284 WeakPolarHBondContact O-CG 3.03Å; N280-Q284 PolarHBondContact O-N 3.24Å; N280-Q284 PolarHBondContact OD1-NE2 3Å; N280-V382 HydrophobicContact CB-CG1 4.35Å; N280-V382 WeakPolarHBondContact CB-O 3.37Å; N280-V382 PolarHBondContact ND2-O 3.08Å; N280-K384 PolarHBondContact ND2-O 2.96Å; N280-F385 HydrophobicContact CB-CE1 4.35Å; N280-F385 WeakPolarHBondContact ND2-CE1 3.48Å |
| 281 | S | 85.8 | Confident | 84.5 | Confident | 26 Ų | 26 | 38.2 Ų | 38.2 | 18% | 0.182 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59 | -45.2 | 176.2 | 178.8 | 0 | 0 | 0 | 0 | 112.2 | L25 H277 K278 L279 L283 Q284 | L25-S281 VanDerWaalsContact CD2-OG 3.24Å; L25-S281 WeakPolarHBondContact CD2-OG 3.45Å; H277-S281 PolarHBondContact O-N 3.01Å; K278-S281 PolarHBondContact O-N 3.33Å; L279-S281 VanDerWaalsContact C-N 3.32Å; L279-S281 PolarHBondContact O-N 3.12Å; S281-L283 PolarHBondContact O-N 3.26Å; S281-Q284 PolarHBondContact O-N 3.41Å |
| 282 | D | 88.9 | Confident | 82 | Confident | 9 Ų | 9 | 39.6 Ų | 39.6 | 5% | 0.048 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.8 | -26.7 | 178.5 | -76.1 | -7 | 0 | 0 | 0 | 113.3 | K278 L279 N280 P285 F286 A301 A302 | K278-D282 IonicContact NZ-OD1 3.44Å; K278-D282 PolarHBondContact NZ-OD1 3.09Å; K278-D282 IonicContact NZ-OD2 3.84Å; K278-D282 PolarHBondContact NZ-OD2 3.34Å; K278-D282 WeakPolarHBondContact O-CB 3.39Å; K278-D282 PolarHBondContact O-N 3.08Å; L279-D282 PolarHBondContact O-N 2.98Å; N280-D282 PolarHBondContact O-N 3.48Å; D282-P285 WeakPolarHBondContact O-CD 3.48Å; D282-F286 VanDerWaalsContact O-CD2 3.25Å; D282-F286 WeakPolarHBondContact O-CD2 3.39Å; D282-F286 VanDerWaalsContact O-CE2 3.27Å; D282-F286 WeakPolarHBondContact O-CE2 3.45Å; D282-A301 HydrophobicContact CB-CB 3.96Å; D282-A301 WeakPolarHBondContact OD2-CA 3.42Å; D282-A302 PolarHBondContact OD2-N 3.19Å |
| 283 | L | 89.4 | Confident | 79.9 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -82.6 | -23.2 | 179.6 | -79.4 | 163.8 | 0 | 0 | 0 | 113.5 | L279 N280 S281 P285 F286 V287 P303 V345 A348 V349 C352 F385 | L279-L283 WeakPolarHBondContact O-CB 3.13Å; L279-L283 WeakPolarHBondContact O-CD1 3.13Å; L279-L283 VanDerWaalsContact O-CG 3.29Å; L279-L283 WeakPolarHBondContact O-CG 3.14Å; L279-L283 PolarHBondContact O-N 3.43Å; N280-L283 PolarHBondContact O-N 2.92Å; S281-L283 PolarHBondContact O-N 3.26Å; L283-P285 VanDerWaalsContact C-CD 3.45Å; L283-P285 VanDerWaalsContact C-N 3.35Å; L283-F286 PolarHBondContact O-N 3.07Å; L283-V287 HydrophobicContact CB-CG2 4.37Å; L283-V287 PolarHBondContact O-N 3.3Å; L283-P303 HydrophobicContact CD2-CG 3.84Å; L283-P303 HydrophobicContact CG-CG 4.3Å; L283-V345 HydrophobicContact CD2-CG1 3.99Å; L283-A348 HydrophobicContact CD1-CB 4.31Å; L283-A348 HydrophobicContact CD2-CB 3.81Å; L283-A348 HydrophobicContact CG-CB 4.16Å; L283-V349 HydrophobicContact CD1-CG2 3.92Å; L283-V349 HydrophobicContact CD2-CG2 3.77Å; L283-C352 HydrophobicContact CD1-CB 4.27Å; L283-F385 HydrophobicContact CB-CD1 4.16Å; L283-F385 HydrophobicContact CB-CE1 3.98Å; L283-F385 HydrophobicContact CD1-CD1 4.17Å; L283-F385 HydrophobicContact CD1-CE1 3.3Å; L283-F385 HydrophobicContact CD1-CZ 3.61Å; L283-F385 HydrophobicContact CG-CE1 4.27Å |
| 284 | Q | 86.1 | Confident | 78.1 | Confident | 46 Ų | 46 | 49.8 Ų | 49.8 | 22% | 0.215 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -50.7 | -45.5 | -176.6 | -67.2 | -57.7 | -45.1 | 0 | 0 | 113.7 | N280 S281 F286 K288 | N280-Q284 WeakPolarHBondContact O-CG 3.03Å; N280-Q284 PolarHBondContact O-N 3.24Å; N280-Q284 PolarHBondContact OD1-NE2 3Å; S281-Q284 PolarHBondContact O-N 3.41Å; Q284-F286 PolarHBondContact O-N 3.43Å; Q284-K288 PolarHBondContact O-N 3.3Å |
| 285 | P | 84.8 | Confident | 76.9 | Confident | 19 Ų | 19 | 51.5 Ų | 51.5 | 12% | 0.123 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.5 | -27.2 | 177.9 | -25.2 | 37.4 | 0 | 0 | 0 | 114 | D282 L283 S289 T295 F297 L336 | D282-P285 WeakPolarHBondContact O-CD 3.48Å; L283-P285 VanDerWaalsContact C-CD 3.45Å; L283-P285 VanDerWaalsContact C-N 3.35Å; P285-S289 VanDerWaalsContact O-CB 3.28Å; P285-S289 WeakPolarHBondContact O-CB 3.1Å; P285-T295 HydrophobicContact CB-CG2 3.69Å; P285-T295 HydrophobicContact CG-CG2 4.39Å; P285-F297 HydrophobicContact CB-CB 4.01Å; P285-F297 HydrophobicContact CG-CB 3.85Å; P285-L336 HydrophobicContact CB-CD1 4.43Å |
| 286 | F | 85.8 | Confident | 75.8 | Confident | 8 Ų | 8 | 54.3 Ų | 54.3 | 4% | 0.035 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -93.1 | -38.1 | -172.8 | -56.8 | -87.7 | 0 | 0 | 0 | 111.8 | D282 L283 Q284 F297 P303 V304 L336 V339 K340 V345 | D282-F286 VanDerWaalsContact O-CD2 3.25Å; D282-F286 WeakPolarHBondContact O-CD2 3.39Å; D282-F286 VanDerWaalsContact O-CE2 3.27Å; D282-F286 WeakPolarHBondContact O-CE2 3.45Å; L283-F286 PolarHBondContact O-N 3.07Å; Q284-F286 PolarHBondContact O-N 3.43Å; F286-F297 HydrophobicContact CE2-CG 4.45Å; F286-F297 HydrophobicContact CZ-CB 4.49Å; F286-F297 HydrophobicContact CZ-CD1 4.24Å; F286-F297 AromaticContact CZ-CD2 3.9Å; F286-F297 HydrophobicContact CZ-CD2 3.9Å; F286-F297 HydrophobicContact CZ-CE1 4.44Å; F286-F297 HydrophobicContact CZ-CE2 4.13Å; F286-F297 AromaticContact CZ-CG 3.96Å; F286-F297 HydrophobicContact CZ-CG 3.96Å; F286-F297 HydrophobicContact CZ-CZ 4.37Å; F286-P303 HydrophobicContact CD2-CB 4.05Å; F286-P303 HydrophobicContact CD2-CG 3.8Å; F286-P303 HydrophobicContact CE1-CB 4.43Å; F286-P303 HydrophobicContact CE2-CB 3.91Å; F286-P303 HydrophobicContact CE2-CG 3.84Å; F286-P303 HydrophobicContact CG-CB 4.38Å; F286-P303 HydrophobicContact CG-CG 4.47Å; F286-P303 HydrophobicContact CZ-CB 4.13Å; F286-V304 HydrophobicContact CZ-CG2 3.8Å; F286-L336 HydrophobicContact CD1-CD1 3.54Å; F286-L336 HydrophobicContact CD1-CG 4.47Å; F286-L336 HydrophobicContact CE1-CD1 3.54Å; F286-L336 HydrophobicContact CG-CD1 4.23Å; F286-L336 HydrophobicContact CZ-CD1 4.23Å; F286-V339 HydrophobicContact CD1-CB 4.4Å; F286-V339 HydrophobicContact CD1-CG1 3.89Å; F286-V339 HydrophobicContact CE1-CB 3.78Å; F286-V339 HydrophobicContact CE1-CG1 3.39Å; F286-V339 HydrophobicContact CE1-CG2 4.46Å; F286-V339 HydrophobicContact CZ-CG1 4.09Å; F286-K340 HydrophobicContact CD1-CG 4.27Å; F286-K340 WeakPolarHBondContact O-CE 3.21Å; F286-K340 PolarHBondContact O-NZ 3.29Å; F286-V345 HydrophobicContact CB-CG1 4.15Å; F286-V345 HydrophobicContact CB-CG2 4.01Å; F286-V345 HydrophobicContact CD1-CG2 3.97Å; F286-V345 HydrophobicContact CG-CG2 4.11Å |
| 287 | V | 82 | Confident | 75.2 | Confident | 67 Ų | 67 | 55.1 Ų | 55.1 | 41% | 0.406 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -84.4 | -38.3 | -176.6 | -175.3 | 0 | 0 | 0 | 0 | 112.4 | L283 F385 | L283-V287 HydrophobicContact CB-CG2 4.37Å; L283-V287 PolarHBondContact O-N 3.3Å; V287-F385 HydrophobicContact CB-CB 4.35Å; V287-F385 HydrophobicContact CG1-CB 3.81Å; V287-F385 HydrophobicContact CG2-CB 4.35Å |
| 288 | K | 70 | Confident | 74.8 | Confident | 68 Ų | 68 | 56.1 Ų | 56.1 | 30% | 0.296 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -102.6 | 2.5 | -171.6 | -65.1 | -168.3 | -172.5 | 157.1 | 0 | 116.1 | S31 Q284 R290 F385 | S31-K288 PolarHBondContact OG-NZ 3.34Å; Q284-K288 PolarHBondContact O-N 3.3Å; K288-R290 PolarHBondContact O-N 2.99Å; K288-F385 WeakPolarHBondContact CE-OXT 3.32Å |
| 289 | S | 60.6 | Low | 74.4 | Confident | 33 Ų | 33 | 57.2 Ų | 57.2 | 23% | 0.231 | 33% | 0.328 | C | S | . | . | trans | -60.4 | 108 | -178.9 | 175.5 | 0 | 0 | 0 | 0 | 110.2 | P285 | P285-S289 VanDerWaalsContact O-CB 3.28Å; P285-S289 WeakPolarHBondContact O-CB 3.1Å | ||
| 290 | R | 54 | Low | 74.1 | Confident | 175 Ų | 175 | 58 Ų | 58 | 66% | 0.66 | 33% | 0.334 | S | S | * | . | trans | -68.4 | 137.2 | 166.9 | -62.7 | -172 | -169.4 | -144.9 | 3.7 | 107.9 | S29 K288 G292 A293 | S29-R290 PolarHBondContact OG-NH2 2.77Å; K288-R290 PolarHBondContact O-N 2.99Å; R290-G292 PolarHBondContact O-N 3.23Å; R290-G292 VanDerWaalsContact O-N 3.07Å; R290-A293 PolarHBondContact O-N 3.15Å; R290-A293 VanDerWaalsContact O-N 3.15Å | ||
| 291 | L | 47.3 | Very low | 74 | Confident | 187 Ų | 187 | 57 Ų | 57 | 98% | 0.979 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.6 | 119.2 | 173.4 | -111.8 | 82.4 | 0 | 0 | 0 | 109.5 | ||
| 292 | G | 46.1 | Very low | 74.3 | Confident | 86 Ų | 86 | 55.7 Ų | 55.7 | 89% | 0.887 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 99.2 | -6.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | R290 | R290-G292 PolarHBondContact O-N 3.23Å; R290-G292 VanDerWaalsContact O-N 3.07Å |
| 293 | A | 54.1 | Low | 74.4 | Confident | 57 Ų | 57 | 55.3 Ų | 55.3 | 47% | 0.471 | 32% | 0.317 | S | S | . | . | trans | -84.4 | 121.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | R290 T295 | R290-A293 PolarHBondContact O-N 3.15Å; R290-A293 VanDerWaalsContact O-N 3.15Å; A293-T295 PolarHBondContact O-N 3.47Å; A293-T295 PolarHBondContact O-OG1 3.37Å | ||
| 294 | M | 57.9 | Low | 74.5 | Confident | 181 Ų | 181 | 55.3 Ų | 55.3 | 89% | 0.892 | 32% | 0.317 | S | S | * | . | trans | -60.5 | 106.4 | 170.2 | -83.3 | -172.9 | 76.4 | 0 | 0 | 109.2 | ||||
| 295 | T | 68.9 | Low | 74.6 | Confident | 41 Ų | 41 | 54.5 Ų | 54.5 | 25% | 0.252 | 32% | 0.315 | S | S | . | . | trans | -113.5 | 114.6 | -179.9 | -43.8 | 0 | 0 | 0 | 0 | 108.2 | P285 A293 | P285-T295 HydrophobicContact CB-CG2 3.69Å; P285-T295 HydrophobicContact CG-CG2 4.39Å; A293-T295 PolarHBondContact O-N 3.47Å; A293-T295 PolarHBondContact O-OG1 3.37Å | ||
| 296 | S | 72.1 | Confident | 75 | Confident | 60 Ų | 60 | 54.8 Ų | 54.8 | 42% | 0.42 | 32% | 0.315 | S | S | . | . | trans | -88.6 | 154.7 | 171.1 | 55.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 297 | F | 81.6 | Confident | 75.2 | Confident | 18 Ų | 18 | 54.4 Ų | 54.4 | 8% | 0.079 | 31% | 0.313 | C | S | . | . | trans | -150.7 | 161.8 | 177.1 | 57.6 | -93.9 | 0 | 0 | 0 | 110.7 | P285 F286 L299 V304 Y332 L335 L336 | P285-F297 HydrophobicContact CB-CB 4.01Å; P285-F297 HydrophobicContact CG-CB 3.85Å; F286-F297 HydrophobicContact CE2-CG 4.45Å; F286-F297 HydrophobicContact CZ-CB 4.49Å; F286-F297 HydrophobicContact CZ-CD1 4.24Å; F286-F297 AromaticContact CZ-CD2 3.9Å; F286-F297 HydrophobicContact CZ-CD2 3.9Å; F286-F297 HydrophobicContact CZ-CE1 4.44Å; F286-F297 HydrophobicContact CZ-CE2 4.13Å; F286-F297 AromaticContact CZ-CG 3.96Å; F286-F297 HydrophobicContact CZ-CG 3.96Å; F286-F297 HydrophobicContact CZ-CZ 4.37Å; F297-L299 HydrophobicContact CE2-CD2 4.43Å; F297-V304 HydrophobicContact CD2-CG2 3.62Å; F297-V304 HydrophobicContact CE2-CG2 3.47Å; F297-V304 VanDerWaalsContact CE2-CG2 3.47Å; F297-Y332 HydrophobicContact CD1-CD1 4.02Å; F297-Y332 AromaticContact CE1-CD1 3.9Å; F297-Y332 HydrophobicContact CE1-CD1 3.9Å; F297-Y332 HydrophobicContact CE2-CD1 4.46Å; F297-Y332 HydrophobicContact CG-CD1 4.36Å; F297-Y332 HydrophobicContact CZ-CD1 4.15Å; F297-Y332 VanDerWaalsContact O-CE1 3.25Å; F297-Y332 WeakPolarHBondContact O-CE1 3.34Å; F297-L335 HydrophobicContact CE2-CD2 3.95Å; F297-L335 HydrophobicContact CE2-CG 4.34Å; F297-L335 HydrophobicContact CZ-CB 3.97Å; F297-L335 HydrophobicContact CZ-CD2 3.81Å; F297-L335 HydrophobicContact CZ-CG 3.86Å; F297-L336 HydrophobicContact CD1-CD1 3.93Å; F297-L336 HydrophobicContact CE1-CB 3.96Å; F297-L336 HydrophobicContact CE1-CD1 3.76Å | ||
| 298 | S | 82.4 | Confident | 75.6 | Confident | 43 Ų | 43 | 55.4 Ų | 55.4 | 30% | 0.301 | 31% | 0.31 | S | S | . | . | trans | -78.9 | 140.5 | 176.5 | -173.4 | 0 | 0 | 0 | 0 | 111.6 | S300 A301 | S298-S300 PolarHBondContact O-N 3.49Å; S298-S300 PolarHBondContact OG-N 3.27Å; S298-S300 PolarHBondContact OG-OG 3.43Å; S298-A301 WeakPolarHBondContact O-CB 3.29Å; S298-A301 PolarHBondContact O-N 3.44Å | ||
| 299 | L | 83.8 | Confident | 76.5 | Confident | 53 Ų | 53 | 57.7 Ų | 57.7 | 28% | 0.277 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -18 | 171 | -60.6 | -178.3 | 0 | 0 | 0 | 112.7 | F297 A301 V304 W316 L320 L330 L335 | F297-L299 HydrophobicContact CE2-CD2 4.43Å; L299-A301 VanDerWaalsContact C-N 3.32Å; L299-V304 HydrophobicContact CD2-CG1 4.44Å; L299-W316 HydrophobicContact CD2-CH2 4.27Å; L299-W316 HydrophobicContact CD2-CZ2 4.26Å; L299-L320 HydrophobicContact CD1-CD2 4.38Å; L299-L330 HydrophobicContact CD1-CD1 4.5Å; L299-L335 HydrophobicContact CD2-CD2 3.54Å |
| 300 | S | 84.1 | Confident | 77.9 | Confident | 18 Ų | 18 | 59.8 Ų | 59.8 | 13% | 0.126 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 1 | 171.5 | 62.7 | 0 | 0 | 0 | 0 | 113.7 | E215 W233 S298 | E215-S300 PolarHBondContact OE1-OG 2.73Å; W233-S300 PolarHBondContact NE1-O 2.94Å; S298-S300 PolarHBondContact O-N 3.49Å; S298-S300 PolarHBondContact OG-N 3.27Å; S298-S300 PolarHBondContact OG-OG 3.43Å |
| 301 | A | 88.5 | Confident | 79.6 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.008 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -67 | 142.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | D282 S298 L299 V304 V305 | D282-A301 HydrophobicContact CB-CB 3.96Å; D282-A301 WeakPolarHBondContact OD2-CA 3.42Å; S298-A301 WeakPolarHBondContact O-CB 3.29Å; S298-A301 PolarHBondContact O-N 3.44Å; L299-A301 VanDerWaalsContact C-N 3.32Å; A301-V304 HydrophobicContact CB-CG2 4.26Å; A301-V304 WeakPolarHBondContact O-CA 3.34Å; A301-V304 WeakPolarHBondContact O-CB 3.42Å; A301-V304 PolarHBondContact O-N 2.59Å; A301-V305 PolarHBondContact O-N 3.04Å |
| 302 | A | 91.6 | Very high | 81.6 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -51.3 | -47.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | W233 L279 D282 V304 V305 F306 A348 | W233-A302 HydrophobicContact CD2-CB 3.84Å; W233-A302 HydrophobicContact CE3-CB 4.41Å; W233-A302 HydrophobicContact CG-CB 4.34Å; W233-A302 HydrophobicContact CH2-CB 4.32Å; W233-A302 HydrophobicContact CZ2-CB 3.64Å; L279-A302 HydrophobicContact CD2-CB 3.42Å; L279-A302 VanDerWaalsContact CD2-CB 3.42Å; D282-A302 PolarHBondContact OD2-N 3.19Å; A302-V304 PolarHBondContact O-N 2.84Å; A302-V305 PolarHBondContact O-N 3.44Å; A302-F306 HydrophobicContact CB-CD2 4.38Å; A302-F306 HydrophobicContact CB-CE2 3.87Å; A302-F306 HydrophobicContact CB-CZ 4.27Å; A302-F306 WeakPolarHBondContact O-CB 3.04Å; A302-F306 VanDerWaalsContact O-CD2 3.23Å; A302-F306 WeakPolarHBondContact O-CD2 3.41Å; A302-F306 VanDerWaalsContact O-CG 3.24Å; A302-F306 WeakPolarHBondContact O-CG 3.44Å; A302-F306 PolarHBondContact O-N 3.16Å; A302-A348 HydrophobicContact CB-CB 4.21Å |
| 303 | P | 92.2 | Very high | 83.5 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.8 | -34.5 | 178.9 | -24.6 | 35.5 | 0 | 0 | 0 | 113.3 | L283 F286 H307 V339 V345 A348 | L283-P303 HydrophobicContact CD2-CG 3.84Å; L283-P303 HydrophobicContact CG-CG 4.3Å; F286-P303 HydrophobicContact CD2-CB 4.05Å; F286-P303 HydrophobicContact CD2-CG 3.8Å; F286-P303 HydrophobicContact CE1-CB 4.43Å; F286-P303 HydrophobicContact CE2-CB 3.91Å; F286-P303 HydrophobicContact CE2-CG 3.84Å; F286-P303 HydrophobicContact CG-CB 4.38Å; F286-P303 HydrophobicContact CG-CG 4.47Å; F286-P303 HydrophobicContact CZ-CB 4.13Å; P303-H307 WeakPolarHBondContact O-CB 3.42Å; P303-H307 PolarHBondContact O-N 3.36Å; P303-V339 HydrophobicContact CB-CG1 4.04Å; P303-V345 HydrophobicContact CB-CG2 4.19Å; P303-A348 HydrophobicContact CB-CB 4.47Å; P303-A348 HydrophobicContact CG-CB 3.83Å |
| 304 | V | 90.2 | Very high | 85.1 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.006 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -75.7 | -43.8 | -179.7 | -173.8 | 0 | 0 | 0 | 0 | 110.8 | F286 F297 L299 A301 A302 H307 R308 W316 V339 | F286-V304 HydrophobicContact CZ-CG2 3.8Å; F297-V304 HydrophobicContact CD2-CG2 3.62Å; F297-V304 HydrophobicContact CE2-CG2 3.47Å; F297-V304 VanDerWaalsContact CE2-CG2 3.47Å; L299-V304 HydrophobicContact CD2-CG1 4.44Å; A301-V304 HydrophobicContact CB-CG2 4.26Å; A301-V304 WeakPolarHBondContact O-CA 3.34Å; A301-V304 WeakPolarHBondContact O-CB 3.42Å; A301-V304 PolarHBondContact O-N 2.59Å; A302-V304 PolarHBondContact O-N 2.84Å; V304-H307 PolarHBondContact O-N 3.34Å; V304-R308 WeakPolarHBondContact O-CB 3.42Å; V304-R308 PolarHBondContact O-N 3.45Å; V304-W316 HydrophobicContact CG1-CH2 3.33Å; V304-W316 HydrophobicContact CG1-CZ2 3.94Å; V304-W316 HydrophobicContact CG1-CZ3 4Å; V304-V339 HydrophobicContact CG2-CG2 4.39Å |
| 305 | V | 89.6 | Confident | 86.7 | Confident | 29 Ų | 29 | 46.4 Ų | 46.4 | 18% | 0.176 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.2 | -45.3 | 176.9 | 174.4 | 0 | 0 | 0 | 0 | 110.5 | W233 A301 A302 R308 Q309 | W233-V305 HydrophobicContact CB-CG1 4.19Å; A301-V305 PolarHBondContact O-N 3.04Å; A302-V305 PolarHBondContact O-N 3.44Å; V305-R308 PolarHBondContact O-N 3.34Å; V305-Q309 WeakPolarHBondContact O-CG 3.46Å; V305-Q309 PolarHBondContact O-N 3Å |
| 306 | F | 91.6 | Very high | 87.6 | Confident | 25 Ų | 25 | 44.9 Ų | 44.9 | 11% | 0.11 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.6 | -40.8 | 176.2 | -61.1 | -29.4 | 0 | 0 | 0 | 112.1 | W233 A302 Q309 I310 L347 A348 L351 | W233-F306 HydrophobicContact CB-CE1 4.07Å; W233-F306 HydrophobicContact CB-CZ 4.45Å; W233-F306 HydrophobicContact CD2-CZ 4.45Å; W233-F306 HydrophobicContact CE3-CZ 4.35Å; W233-F306 HydrophobicContact CG-CE1 4.48Å; W233-F306 HydrophobicContact CG-CZ 4.49Å; A302-F306 HydrophobicContact CB-CD2 4.38Å; A302-F306 HydrophobicContact CB-CE2 3.87Å; A302-F306 HydrophobicContact CB-CZ 4.27Å; A302-F306 WeakPolarHBondContact O-CB 3.04Å; A302-F306 VanDerWaalsContact O-CD2 3.23Å; A302-F306 WeakPolarHBondContact O-CD2 3.41Å; A302-F306 VanDerWaalsContact O-CG 3.24Å; A302-F306 WeakPolarHBondContact O-CG 3.44Å; A302-F306 PolarHBondContact O-N 3.16Å; F306-Q309 PolarHBondContact O-N 3.46Å; F306-I310 WeakPolarHBondContact O-CD1 3.37Å; F306-I310 VanDerWaalsContact O-CG1 3.23Å; F306-I310 WeakPolarHBondContact O-CG1 3.44Å; F306-I310 PolarHBondContact O-N 3.04Å; F306-L347 HydrophobicContact CB-CD1 4.36Å; F306-L347 HydrophobicContact CD2-CB 3.95Å; F306-L347 HydrophobicContact CG-CB 4.43Å; F306-A348 HydrophobicContact CD2-CB 3.96Å; F306-A348 HydrophobicContact CE2-CB 3.95Å; F306-L351 HydrophobicContact CE2-CD2 4.18Å; F306-L351 HydrophobicContact CZ-CD2 3.73Å |
| 307 | H | 91.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.2 | -49.3 | 173 | 175.8 | 82 | 0 | 0 | 0 | 111.9 | P303 V304 Q309 I310 V311 W316 Q319 A338 V339 E342 | P303-H307 WeakPolarHBondContact O-CB 3.42Å; P303-H307 PolarHBondContact O-N 3.36Å; V304-H307 PolarHBondContact O-N 3.34Å; H307-Q309 VanDerWaalsContact C-N 3.28Å; H307-Q309 PolarHBondContact O-N 2.94Å; H307-I310 PolarHBondContact O-N 3.27Å; H307-I310 VanDerWaalsContact O-N 3.08Å; H307-V311 WeakPolarHBondContact O-CG2 3.25Å; H307-V311 PolarHBondContact O-N 3.31Å; H307-W316 AromaticContact CD2-CE3 3.77Å; H307-W316 AromaticContact CD2-CZ3 3.78Å; H307-Q319 PolarHBondContact NE2-OE1 3.49Å; H307-A338 PolarHBondContact CE1-O 3.31Å; H307-V339 HydrophobicContact CB-CG1 4.18Å; H307-V339 HydrophobicContact CB-CG2 4.17Å; H307-E342 VanDerWaalsContact CE1-CG 3.46Å; H307-E342 WeakPolarHBondContact CE1-CG 3.25Å; H307-E342 WeakPolarHBondContact ND1-CB 3.41Å; H307-E342 WeakPolarHBondContact ND1-CG 3.37Å |
| 308 | R | 89.7 | Confident | 88.7 | Confident | 88 Ų | 88 | 48.3 Ų | 48.3 | 33% | 0.332 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -55.7 | -41.5 | 176.1 | 175.9 | -179.4 | 176.8 | -176.2 | 2.7 | 112.1 | V304 V305 G312 W316 | V304-R308 WeakPolarHBondContact O-CB 3.42Å; V304-R308 PolarHBondContact O-N 3.45Å; V305-R308 PolarHBondContact O-N 3.34Å; R308-G312 PolarHBondContact O-N 3.33Å; R308-W316 HydrophobicContact CB-CD2 4.08Å; R308-W316 HydrophobicContact CB-CE3 4.42Å; R308-W316 HydrophobicContact CB-CG 4.14Å; R308-W316 HydrophobicContact CG-CB 4.14Å; R308-W316 HydrophobicContact CG-CD2 4.16Å; R308-W316 HydrophobicContact CG-CG 3.74Å |
| 309 | Q | 88.8 | Confident | 89 | Confident | 116 Ų | 116 | 47.6 Ų | 47.6 | 54% | 0.542 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65.9 | -40.5 | 176.6 | -72.3 | 173 | -9.1 | 0 | 0 | 112.1 | V305 F306 H307 | V305-Q309 WeakPolarHBondContact O-CG 3.46Å; V305-Q309 PolarHBondContact O-N 3Å; F306-Q309 PolarHBondContact O-N 3.46Å; H307-Q309 VanDerWaalsContact C-N 3.28Å; H307-Q309 PolarHBondContact O-N 2.94Å |
| 310 | I | 90.4 | Very high | 89.2 | Confident | 76 Ų | 76 | 45.4 Ų | 45.4 | 39% | 0.39 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -67.5 | -49.3 | 179 | -68.1 | 160.2 | 0 | 0 | 0 | 111.4 | F306 H307 G312 K343 L347 | F306-I310 WeakPolarHBondContact O-CD1 3.37Å; F306-I310 VanDerWaalsContact O-CG1 3.23Å; F306-I310 WeakPolarHBondContact O-CG1 3.44Å; F306-I310 PolarHBondContact O-N 3.04Å; H307-I310 PolarHBondContact O-N 3.27Å; H307-I310 VanDerWaalsContact O-N 3.08Å; I310-G312 VanDerWaalsContact C-N 3.33Å; I310-K343 HydrophobicContact CD1-CB 4Å; I310-L347 HydrophobicContact CD1-CD1 3.88Å |
| 311 | V | 89.8 | Confident | 89.2 | Confident | 21 Ų | 21 | 49.7 Ų | 49.7 | 13% | 0.127 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -80.1 | -17.8 | -173.7 | -57.4 | 0 | 0 | 0 | 0 | 113.1 | H307 K315 W316 E342 | H307-V311 WeakPolarHBondContact O-CG2 3.25Å; H307-V311 PolarHBondContact O-N 3.31Å; V311-K315 HydrophobicContact CB-CB 4.13Å; V311-K315 HydrophobicContact CB-CD 3.91Å; V311-K315 HydrophobicContact CB-CG 4.07Å; V311-K315 HydrophobicContact CG1-CD 4.31Å; V311-K315 HydrophobicContact CG2-CB 4.34Å; V311-K315 HydrophobicContact CG2-CG 4.47Å; V311-K315 WeakPolarHBondContact O-CB 3.35Å; V311-W316 HydrophobicContact CG2-CB 3.99Å; V311-E342 HydrophobicContact CG1-CG 4.08Å |
| 312 | G | 89.4 | Confident | 89.1 | Confident | 29 Ų | 29 | 54.7 Ų | 54.7 | 30% | 0.299 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | 80.8 | 164.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | R308 I310 E314 W316 | R308-G312 PolarHBondContact O-N 3.33Å; I310-G312 VanDerWaalsContact C-N 3.33Å; G312-E314 PolarHBondContact O-N 2.87Å; G312-W316 WeakPolarHBondContact O-CB 3.39Å; G312-W316 PolarHBondContact O-N 3.47Å; G312-W316 VanDerWaalsContact O-N 3.12Å |
| 313 | K | 86 | Confident | 88.8 | Confident | 111 Ų | 111 | 54.7 Ų | 54.7 | 48% | 0.483 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -56.6 | -48.6 | -173.8 | -168.8 | 176 | 179.5 | 176.7 | 0 | 111.9 | W316 H317 | K313-W316 PolarHBondContact O-N 3.45Å; K313-H317 WeakPolarHBondContact CG-CE1 3.44Å; K313-H317 PolarHBondContact O-N 3.27Å; K313-H317 PolarHBondContact O-ND1 3.14Å |
| 314 | E | 88.1 | Confident | 88.3 | Confident | 158 Ų | 158 | 57.7 Ų | 57.7 | 74% | 0.738 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -62.2 | -53.8 | -174.5 | -169.3 | 63.8 | -166.8 | 0 | 0 | 112.8 | G312 W316 H317 Q318 | G312-E314 PolarHBondContact O-N 2.87Å; E314-W316 VanDerWaalsContact C-N 3.28Å; E314-W316 PolarHBondContact O-N 2.98Å; E314-H317 PolarHBondContact O-N 3.46Å; E314-H317 VanDerWaalsContact O-N 3.12Å; E314-Q318 PolarHBondContact O-N 3.37Å |
| 315 | K | 89.9 | Confident | 87.7 | Confident | 87 Ų | 87 | 60.5 Ų | 60.5 | 38% | 0.378 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.5 | -35.2 | 179.6 | -175.2 | 170.9 | 166.6 | -160.9 | 0 | 111.5 | V311 Q318 Q319 E342 | V311-K315 HydrophobicContact CB-CB 4.13Å; V311-K315 HydrophobicContact CB-CD 3.91Å; V311-K315 HydrophobicContact CB-CG 4.07Å; V311-K315 HydrophobicContact CG1-CD 4.31Å; V311-K315 HydrophobicContact CG2-CB 4.34Å; V311-K315 HydrophobicContact CG2-CG 4.47Å; V311-K315 WeakPolarHBondContact O-CB 3.35Å; K315-Q318 PolarHBondContact O-N 2.98Å; K315-Q319 VanDerWaalsContact O-CG 3.29Å; K315-Q319 WeakPolarHBondContact O-CG 3.5Å; K315-Q319 PolarHBondContact O-N 3.34Å; K315-E342 IonicContact NZ-OE1 3.93Å; K315-E342 PolarHBondContact NZ-OE1 3.13Å |
| 316 | W | 89.6 | Confident | 86.7 | Confident | 8 Ų | 8 | 68.2 Ų | 68.2 | 3% | 0.03 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.3 | -44.5 | 173.2 | 173.8 | -109.4 | 0 | 0 | 0 | 112.5 | L299 V304 H307 R308 V311 G312 K313 E314 Q318 Q319 L320 L335 | L299-W316 HydrophobicContact CD2-CH2 4.27Å; L299-W316 HydrophobicContact CD2-CZ2 4.26Å; V304-W316 HydrophobicContact CG1-CH2 3.33Å; V304-W316 HydrophobicContact CG1-CZ2 3.94Å; V304-W316 HydrophobicContact CG1-CZ3 4Å; H307-W316 AromaticContact CD2-CE3 3.77Å; H307-W316 AromaticContact CD2-CZ3 3.78Å; R308-W316 HydrophobicContact CB-CD2 4.08Å; R308-W316 HydrophobicContact CB-CE3 4.42Å; R308-W316 HydrophobicContact CB-CG 4.14Å; R308-W316 HydrophobicContact CG-CB 4.14Å; R308-W316 HydrophobicContact CG-CD2 4.16Å; R308-W316 HydrophobicContact CG-CG 3.74Å; V311-W316 HydrophobicContact CG2-CB 3.99Å; G312-W316 WeakPolarHBondContact O-CB 3.39Å; G312-W316 PolarHBondContact O-N 3.47Å; G312-W316 VanDerWaalsContact O-N 3.12Å; K313-W316 PolarHBondContact O-N 3.45Å; E314-W316 VanDerWaalsContact C-N 3.28Å; E314-W316 PolarHBondContact O-N 2.98Å; W316-Q318 VanDerWaalsContact C-N 3.33Å; W316-Q318 PolarHBondContact O-N 3.11Å; W316-Q319 PolarHBondContact O-N 2.82Å; W316-L320 HydrophobicContact CD2-CD1 4.35Å; W316-L320 HydrophobicContact CD2-CG 4.38Å; W316-L320 HydrophobicContact CG-CD1 4.48Å; W316-L320 HydrophobicContact CH2-CD2 4.46Å; W316-L320 HydrophobicContact CZ2-CD1 3.93Å; W316-L320 HydrophobicContact CZ2-CD2 3.98Å; W316-L320 HydrophobicContact CZ2-CG 3.9Å; W316-L320 PolarHBondContact O-N 3Å; W316-L335 HydrophobicContact CH2-CD1 3.75Å; W316-L335 HydrophobicContact CH2-CD2 4Å; W316-L335 HydrophobicContact CH2-CG 4.23Å; W316-L335 HydrophobicContact CZ3-CD1 3.6Å; W316-L335 HydrophobicContact CZ3-CG 4.4Å |
| 317 | H | 87.3 | Confident | 85.5 | Confident | 41 Ų | 41 | 76 Ų | 76 | 19% | 0.19 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62.6 | -42.6 | 176.6 | -75.9 | 64.5 | 0 | 0 | 0 | 110.8 | D222 K313 E314 Q319 L320 Q321 | D222-H317 IonicContact OD1-CD2 2.78Å; D222-H317 IonicContact OD1-CE1 2.86Å; D222-H317 IonicContact OD1-NE2 2.95Å; D222-H317 PolarHBondContact OD1-NE2 2.99Å; K313-H317 WeakPolarHBondContact CG-CE1 3.44Å; K313-H317 PolarHBondContact O-N 3.27Å; K313-H317 PolarHBondContact O-ND1 3.14Å; E314-H317 PolarHBondContact O-N 3.46Å; E314-H317 VanDerWaalsContact O-N 3.12Å; H317-Q319 PolarHBondContact O-N 3.19Å; H317-L320 WeakPolarHBondContact O-CB 3.41Å; H317-L320 PolarHBondContact O-N 3.19Å; H317-Q321 WeakPolarHBondContact O-CG 3.38Å; H317-Q321 PolarHBondContact O-N 3.21Å |
| 318 | Q | 89 | Confident | 84.3 | Confident | 109 Ų | 109 | 80.5 Ų | 80.5 | 51% | 0.509 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -57.8 | -49.3 | 174.8 | -175.8 | -177.3 | -5.3 | 0 | 0 | 111.6 | E314 K315 W316 L320 Q321 E322 | E314-Q318 PolarHBondContact O-N 3.37Å; K315-Q318 PolarHBondContact O-N 2.98Å; W316-Q318 VanDerWaalsContact C-N 3.33Å; W316-Q318 PolarHBondContact O-N 3.11Å; Q318-L320 VanDerWaalsContact C-N 3.3Å; Q318-L320 PolarHBondContact O-N 3.41Å; Q318-Q321 PolarHBondContact O-N 3.48Å; Q318-Q321 VanDerWaalsContact O-N 3.12Å; Q318-E322 HydrophobicContact CG-CG 4.46Å; Q318-E322 WeakPolarHBondContact CG-OE1 3.34Å; Q318-E322 PolarHBondContact NE2-OE1 3.36Å; Q318-E322 WeakPolarHBondContact O-CG 3.48Å; Q318-E322 PolarHBondContact O-N 3.39Å |
| 319 | Q | 89.4 | Confident | 83.3 | Confident | 28 Ų | 28 | 79.2 Ų | 79.2 | 13% | 0.131 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -60.2 | -38.2 | 177.6 | -73.2 | 173.9 | -14.4 | 0 | 0 | 112.5 | H307 K315 W316 H317 A323 | H307-Q319 PolarHBondContact NE2-OE1 3.49Å; K315-Q319 VanDerWaalsContact O-CG 3.29Å; K315-Q319 WeakPolarHBondContact O-CG 3.5Å; K315-Q319 PolarHBondContact O-N 3.34Å; W316-Q319 PolarHBondContact O-N 2.82Å; H317-Q319 PolarHBondContact O-N 3.19Å; Q319-A323 VanDerWaalsContact O-CB 3.26Å; Q319-A323 WeakPolarHBondContact O-CB 3.21Å; Q319-A323 PolarHBondContact O-N 2.77Å |
| 320 | L | 86.2 | Confident | 82.8 | Confident | 8 Ų | 8 | 75.6 Ų | 75.6 | 4% | 0.042 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.6 | -42.9 | 173.8 | -84.3 | 171.2 | 0 | 0 | 0 | 112.1 | L299 W316 H317 Q318 A323 K324 L330 | L299-L320 HydrophobicContact CD1-CD2 4.38Å; W316-L320 HydrophobicContact CD2-CD1 4.35Å; W316-L320 HydrophobicContact CD2-CG 4.38Å; W316-L320 HydrophobicContact CG-CD1 4.48Å; W316-L320 HydrophobicContact CH2-CD2 4.46Å; W316-L320 HydrophobicContact CZ2-CD1 3.93Å; W316-L320 HydrophobicContact CZ2-CD2 3.98Å; W316-L320 HydrophobicContact CZ2-CG 3.9Å; W316-L320 PolarHBondContact O-N 3Å; H317-L320 WeakPolarHBondContact O-CB 3.41Å; H317-L320 PolarHBondContact O-N 3.19Å; Q318-L320 VanDerWaalsContact C-N 3.3Å; Q318-L320 PolarHBondContact O-N 3.41Å; L320-A323 PolarHBondContact O-N 3.06Å; L320-K324 WeakPolarHBondContact O-CG 3.24Å; L320-K324 PolarHBondContact O-N 3.03Å; L320-L330 HydrophobicContact CD2-CD2 3.97Å |
| 321 | Q | 85.5 | Confident | 82.3 | Confident | 107 Ų | 107 | 74 Ų | 74 | 50% | 0.5 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -68.1 | -40.4 | 178.1 | -62 | -61.5 | -17.7 | 0 | 0 | 111.8 | H317 Q318 A323 K324 | H317-Q321 WeakPolarHBondContact O-CG 3.38Å; H317-Q321 PolarHBondContact O-N 3.21Å; Q318-Q321 PolarHBondContact O-N 3.48Å; Q318-Q321 VanDerWaalsContact O-N 3.12Å; Q321-A323 VanDerWaalsContact C-N 3.27Å; Q321-A323 PolarHBondContact O-N 3.07Å; Q321-K324 VanDerWaalsContact NE2-NZ 3.14Å; Q321-K324 WeakPolarHBondContact O-CB 3.31Å; Q321-K324 PolarHBondContact O-N 3.1Å |
| 322 | E | 86.1 | Confident | 82 | Confident | 106 Ų | 106 | 75 Ų | 75 | 50% | 0.495 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -67 | -28.9 | 176.5 | -70.9 | 173 | -175.4 | 0 | 0 | 113.1 | Q318 K324 K334 | Q318-E322 HydrophobicContact CG-CG 4.46Å; Q318-E322 WeakPolarHBondContact CG-OE1 3.34Å; Q318-E322 PolarHBondContact NE2-OE1 3.36Å; Q318-E322 WeakPolarHBondContact O-CG 3.48Å; Q318-E322 PolarHBondContact O-N 3.39Å; E322-K324 VanDerWaalsContact C-N 3.26Å; E322-K334 PolarHBondContact O-NZ 3.13Å; E322-K334 VanDerWaalsContact O-NZ 3.07Å |
| 323 | A | 84.3 | Confident | 81.7 | Confident | 1 Ų | 1 | 77.3 Ų | 77.3 | 1% | 0.008 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -10.2 | 172 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q319 L320 Q321 L330 D331 K334 | Q319-A323 VanDerWaalsContact O-CB 3.26Å; Q319-A323 WeakPolarHBondContact O-CB 3.21Å; Q319-A323 PolarHBondContact O-N 2.77Å; L320-A323 PolarHBondContact O-N 3.06Å; Q321-A323 VanDerWaalsContact C-N 3.27Å; Q321-A323 PolarHBondContact O-N 3.07Å; A323-L330 HydrophobicContact CB-CD2 4.24Å; A323-D331 WeakPolarHBondContact O-CB 3.32Å; A323-D331 PolarHBondContact O-N 2.9Å; A323-K334 HydrophobicContact CB-CB 4.46Å |
| 324 | K | 83.1 | Confident | 81.5 | Confident | 63 Ų | 63 | 77.6 Ų | 77.6 | 27% | 0.274 | 37% | 0.372 | S | S | . | . | B | Isolated β-bridge | trans | -77.2 | 131.2 | 175.5 | -72.2 | 170.2 | -174.1 | 172.7 | 0 | 111.2 | L320 Q321 E322 N328 Q329 | L320-K324 WeakPolarHBondContact O-CG 3.24Å; L320-K324 PolarHBondContact O-N 3.03Å; Q321-K324 VanDerWaalsContact NE2-NZ 3.14Å; Q321-K324 WeakPolarHBondContact O-CB 3.31Å; Q321-K324 PolarHBondContact O-N 3.1Å; E322-K324 VanDerWaalsContact C-N 3.26Å; K324-N328 WeakPolarHBondContact CD-OD1 3.35Å; K324-N328 WeakPolarHBondContact CG-O 3.25Å; K324-Q329 CarbonylContact C-O 3.58Å; K324-Q329 WeakPolarHBondContact CA-O 3.32Å |
| 325 | T | 76.8 | Confident | 81.4 | Confident | 60 Ų | 60 | 70.1 Ų | 70.1 | 37% | 0.368 | 34% | 0.337 | S | S | . | . | trans | -84.4 | 169.3 | 172.7 | 80.2 | 0 | 0 | 0 | 0 | 110.6 | R327 N328 Q329 D331 | T325-R327 PolarHBondContact O-N 2.65Å; T325-R327 PolarHBondContact OG1-N 2.98Å; T325-N328 VanDerWaalsContact O-CA 3.23Å; T325-N328 WeakPolarHBondContact O-CA 3.4Å; T325-N328 PolarHBondContact O-N 3Å; T325-Q329 PolarHBondContact N-O 3.38Å; T325-Q329 WeakPolarHBondContact OG1-CA 3.44Å; T325-D331 HydrophobicContact CG2-CB 4.06Å | ||
| 326 | L | 68.1 | Low | 81.3 | Confident | 190 Ų | 190 | 66.7 Ų | 66.7 | 100% | 0.995 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -23.4 | 178 | -68.3 | 167 | 0 | 0 | 0 | 113.9 | N328 | L326-N328 PolarHBondContact O-N 3.12Š|
| 327 | R | 66.5 | Low | 81.1 | Confident | 190 Ų | 190 | 69.1 Ų | 69.1 | 72% | 0.717 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | 21.9 | 174.9 | -65.6 | -176.3 | -178.1 | -179.8 | 0.8 | 112.5 | T325 Q329 | T325-R327 PolarHBondContact O-N 2.65Å; T325-R327 PolarHBondContact OG1-N 2.98Å; R327-Q329 HydrophobicContact CB-CG 4.01Å; R327-Q329 WeakPolarHBondContact O-CG 3.26Å; R327-Q329 PolarHBondContact O-N 2.97Å |
| 328 | N | 66.6 | Low | 81.1 | Confident | 94 Ų | 94 | 68.1 Ų | 68.1 | 50% | 0.503 | 34% | 0.344 | S | S | . | . | S | Bend | trans | 61.7 | -20.3 | -167.5 | -159.2 | 17.1 | 0 | 0 | 0 | 114.4 | R18 K324 T325 L326 | R18-N328 PolarHBondContact NH1-O 3.27Å; R18-N328 PolarHBondContact NH2-O 2.71Å; K324-N328 WeakPolarHBondContact CD-OD1 3.35Å; K324-N328 WeakPolarHBondContact CG-O 3.25Å; T325-N328 VanDerWaalsContact O-CA 3.23Å; T325-N328 WeakPolarHBondContact O-CA 3.4Å; T325-N328 PolarHBondContact O-N 3Å; L326-N328 PolarHBondContact O-N 3.12Å |
| 329 | Q | 68.8 | Low | 81.1 | Confident | 61 Ų | 61 | 63 Ų | 63 | 29% | 0.285 | 32% | 0.32 | S | S | . | . | trans | 3.1 | 117.5 | 154.5 | 19.8 | 157 | -46.9 | 0 | 0 | 120.9 | S16 R18 K324 T325 R327 D331 | S16-Q329 PolarHBondContact OG-NE2 3.2Å; R18-Q329 VanDerWaalsContact NH2-CA 3.31Å; K324-Q329 CarbonylContact C-O 3.58Å; K324-Q329 WeakPolarHBondContact CA-O 3.32Å; T325-Q329 PolarHBondContact N-O 3.38Å; T325-Q329 WeakPolarHBondContact OG1-CA 3.44Å; R327-Q329 HydrophobicContact CB-CG 4.01Å; R327-Q329 WeakPolarHBondContact O-CG 3.26Å; R327-Q329 PolarHBondContact O-N 2.97Å; Q329-D331 PolarHBondContact O-N 3.17Å | ||
| 330 | L | 77.6 | Confident | 81.1 | Confident | 39 Ų | 39 | 65.8 Ų | 65.8 | 20% | 0.204 | 33% | 0.332 | C | S | . | . | B | Isolated β-bridge | trans | -83.9 | 117.5 | 169 | -100 | 159.1 | 0 | 0 | 0 | 109.3 | L299 L320 A323 Y332 | L299-L330 HydrophobicContact CD1-CD1 4.5Å; L320-L330 HydrophobicContact CD2-CD2 3.97Å; A323-L330 HydrophobicContact CB-CD2 4.24Å; L330-Y332 HydrophobicContact CB-CE2 4.21Å; L330-Y332 WeakPolarHBondContact O-CD2 3.38Å; L330-Y332 PolarHBondContact O-N 2.99Å |
| 331 | D | 81.1 | Confident | 80.9 | Confident | 44 Ų | 44 | 69.7 Ų | 69.7 | 24% | 0.235 | 36% | 0.36 | C | S | . | . | trans | -85.6 | 92.3 | 172.9 | -173.4 | -8.8 | 0 | 0 | 0 | 109.9 | A323 T325 Q329 S333 K334 L335 | A323-D331 WeakPolarHBondContact O-CB 3.32Å; A323-D331 PolarHBondContact O-N 2.9Å; T325-D331 HydrophobicContact CG2-CB 4.06Å; Q329-D331 PolarHBondContact O-N 3.17Å; D331-S333 PolarHBondContact O-N 3.22Å; D331-S333 VanDerWaalsContact O-N 3.16Å; D331-S333 WeakPolarHBondContact OD1-CB 3.32Å; D331-S333 PolarHBondContact OD1-N 3.1Å; D331-S333 PolarHBondContact OD1-OG 3.22Å; D331-K334 HydrophobicContact CB-CD 4.37Å; D331-K334 HydrophobicContact CB-CG 4.49Å; D331-K334 PolarHBondContact O-N 3.12Å; D331-L335 PolarHBondContact O-N 3.48Å | ||
| 332 | Y | 82.1 | Confident | 80.7 | Confident | 40 Ų | 40 | 67.6 Ų | 67.6 | 16% | 0.157 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.7 | -22.5 | 179.5 | -70.1 | -86.4 | 0 | 0 | 0 | 113.1 | F297 L330 L335 L336 | F297-Y332 HydrophobicContact CD1-CD1 4.02Å; F297-Y332 AromaticContact CE1-CD1 3.9Å; F297-Y332 HydrophobicContact CE1-CD1 3.9Å; F297-Y332 HydrophobicContact CE2-CD1 4.46Å; F297-Y332 HydrophobicContact CG-CD1 4.36Å; F297-Y332 HydrophobicContact CZ-CD1 4.15Å; F297-Y332 VanDerWaalsContact O-CE1 3.25Å; F297-Y332 WeakPolarHBondContact O-CE1 3.34Å; L330-Y332 HydrophobicContact CB-CE2 4.21Å; L330-Y332 WeakPolarHBondContact O-CD2 3.38Å; L330-Y332 PolarHBondContact O-N 2.99Å; Y332-L335 PolarHBondContact O-N 3.29Å; Y332-L336 WeakPolarHBondContact O-CB 3.47Å; Y332-L336 PolarHBondContact O-N 3.35Å |
| 333 | S | 82.7 | Confident | 80.9 | Confident | 79 Ų | 79 | 69.8 Ų | 69.8 | 55% | 0.552 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -69.5 | -42 | -178.8 | 72.9 | 0 | 0 | 0 | 0 | 112.1 | D331 L336 A337 | D331-S333 PolarHBondContact O-N 3.22Å; D331-S333 VanDerWaalsContact O-N 3.16Å; D331-S333 WeakPolarHBondContact OD1-CB 3.32Å; D331-S333 PolarHBondContact OD1-N 3.1Å; D331-S333 PolarHBondContact OD1-OG 3.22Å; S333-L336 PolarHBondContact O-N 2.83Å; S333-A337 PolarHBondContact O-N 3.47Å; S333-A337 VanDerWaalsContact O-N 3.14Å |
| 334 | K | 83.4 | Confident | 81.1 | Confident | 116 Ų | 116 | 69.8 Ų | 69.8 | 50% | 0.504 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.4 | -44.9 | 174.4 | -69.3 | -178.9 | -179.5 | -174.5 | 0 | 111.4 | E322 A323 D331 A337 A338 | E322-K334 PolarHBondContact O-NZ 3.13Å; E322-K334 VanDerWaalsContact O-NZ 3.07Å; A323-K334 HydrophobicContact CB-CB 4.46Å; D331-K334 HydrophobicContact CB-CD 4.37Å; D331-K334 HydrophobicContact CB-CG 4.49Å; D331-K334 PolarHBondContact O-N 3.12Å; K334-A337 PolarHBondContact O-N 2.96Å; K334-A338 PolarHBondContact O-N 3.25Å; K334-A338 VanDerWaalsContact O-N 3.07Å |
| 335 | L | 85.9 | Confident | 81.5 | Confident | 1 Ų | 1 | 67.9 Ų | 67.9 | 1% | 0.005 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -67 | -38.6 | -179.6 | -164.5 | 63.9 | 0 | 0 | 0 | 111.6 | F297 L299 W316 D331 Y332 A337 A338 V339 | F297-L335 HydrophobicContact CE2-CD2 3.95Å; F297-L335 HydrophobicContact CE2-CG 4.34Å; F297-L335 HydrophobicContact CZ-CB 3.97Å; F297-L335 HydrophobicContact CZ-CD2 3.81Å; F297-L335 HydrophobicContact CZ-CG 3.86Å; L299-L335 HydrophobicContact CD2-CD2 3.54Å; W316-L335 HydrophobicContact CH2-CD1 3.75Å; W316-L335 HydrophobicContact CH2-CD2 4Å; W316-L335 HydrophobicContact CH2-CG 4.23Å; W316-L335 HydrophobicContact CZ3-CD1 3.6Å; W316-L335 HydrophobicContact CZ3-CG 4.4Å; D331-L335 PolarHBondContact O-N 3.48Å; Y332-L335 PolarHBondContact O-N 3.29Å; L335-A337 VanDerWaalsContact C-N 3.32Å; L335-A337 PolarHBondContact O-N 2.92Å; L335-A338 PolarHBondContact O-N 2.93Å; L335-V339 VanDerWaalsContact O-CG2 3.31Å; L335-V339 WeakPolarHBondContact O-CG2 3.37Å; L335-V339 PolarHBondContact O-N 2.77Å |
| 336 | L | 87.4 | Confident | 82.3 | Confident | 16 Ų | 16 | 67.7 Ų | 67.7 | 8% | 0.084 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -58.3 | -45.2 | 173.7 | -168.3 | 78.1 | 0 | 0 | 0 | 111.1 | P285 F286 F297 Y332 S333 V339 K340 | P285-L336 HydrophobicContact CB-CD1 4.43Å; F286-L336 HydrophobicContact CD1-CD1 3.54Å; F286-L336 HydrophobicContact CD1-CG 4.47Å; F286-L336 HydrophobicContact CE1-CD1 3.54Å; F286-L336 HydrophobicContact CG-CD1 4.23Å; F286-L336 HydrophobicContact CZ-CD1 4.23Å; F297-L336 HydrophobicContact CD1-CD1 3.93Å; F297-L336 HydrophobicContact CE1-CB 3.96Å; F297-L336 HydrophobicContact CE1-CD1 3.76Å; Y332-L336 WeakPolarHBondContact O-CB 3.47Å; Y332-L336 PolarHBondContact O-N 3.35Å; S333-L336 PolarHBondContact O-N 2.83Å; L336-V339 PolarHBondContact O-N 3.41Å; L336-K340 HydrophobicContact CG-CD 4.32Å; L336-K340 WeakPolarHBondContact O-CB 3.26Å; L336-K340 VanDerWaalsContact O-CG 3.27Å; L336-K340 WeakPolarHBondContact O-CG 3.44Å; L336-K340 PolarHBondContact O-N 2.67Å |
| 337 | A | 85.9 | Confident | 83.5 | Confident | 59 Ų | 59 | 62.6 Ų | 62.6 | 49% | 0.488 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63 | -43.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | S333 K334 L335 K340 S341 | S333-A337 PolarHBondContact O-N 3.47Å; S333-A337 VanDerWaalsContact O-N 3.14Å; K334-A337 PolarHBondContact O-N 2.96Å; L335-A337 VanDerWaalsContact C-N 3.32Å; L335-A337 PolarHBondContact O-N 2.92Å; A337-K340 PolarHBondContact O-N 3.01Å; A337-S341 PolarHBondContact O-N 2.99Å |
| 338 | A | 87.5 | Confident | 84.8 | Confident | 20 Ų | 20 | 53.5 Ų | 53.5 | 17% | 0.165 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.2 | -42.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | H307 K334 L335 K340 S341 | H307-A338 PolarHBondContact CE1-O 3.31Å; K334-A338 PolarHBondContact O-N 3.25Å; K334-A338 VanDerWaalsContact O-N 3.07Å; L335-A338 PolarHBondContact O-N 2.93Å; A338-K340 VanDerWaalsContact C-N 3.34Å; A338-S341 PolarHBondContact O-N 3.26Å; A338-S341 PolarHBondContact O-OG 3.4Å |
| 339 | V | 89 | Confident | 86.1 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -68.9 | -35.5 | 177.8 | 174 | 0 | 0 | 0 | 0 | 111.2 | F286 P303 V304 H307 L335 L336 V345 | F286-V339 HydrophobicContact CD1-CB 4.4Å; F286-V339 HydrophobicContact CD1-CG1 3.89Å; F286-V339 HydrophobicContact CE1-CB 3.78Å; F286-V339 HydrophobicContact CE1-CG1 3.39Å; F286-V339 HydrophobicContact CE1-CG2 4.46Å; F286-V339 HydrophobicContact CZ-CG1 4.09Å; P303-V339 HydrophobicContact CB-CG1 4.04Å; V304-V339 HydrophobicContact CG2-CG2 4.39Å; H307-V339 HydrophobicContact CB-CG1 4.18Å; H307-V339 HydrophobicContact CB-CG2 4.17Å; L335-V339 VanDerWaalsContact O-CG2 3.31Å; L335-V339 WeakPolarHBondContact O-CG2 3.37Å; L335-V339 PolarHBondContact O-N 2.77Å; L336-V339 PolarHBondContact O-N 3.41Å; V339-V345 HydrophobicContact CG1-CG2 4.09Å |
| 340 | K | 87.6 | Confident | 87.3 | Confident | 88 Ų | 88 | 51 Ų | 51 | 38% | 0.383 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -70.2 | -28 | 176.1 | -78.5 | -177.7 | 174.3 | -159.7 | 0 | 113.8 | F286 L336 A337 A338 E342 | F286-K340 HydrophobicContact CD1-CG 4.27Å; F286-K340 WeakPolarHBondContact O-CE 3.21Å; F286-K340 PolarHBondContact O-NZ 3.29Å; L336-K340 HydrophobicContact CG-CD 4.32Å; L336-K340 WeakPolarHBondContact O-CB 3.26Å; L336-K340 VanDerWaalsContact O-CG 3.27Å; L336-K340 WeakPolarHBondContact O-CG 3.44Å; L336-K340 PolarHBondContact O-N 2.67Å; A337-K340 PolarHBondContact O-N 3.01Å; A338-K340 VanDerWaalsContact C-N 3.34Å; K340-E342 VanDerWaalsContact C-N 3.27Å; K340-E342 PolarHBondContact O-N 3.43Å |
| 341 | S | 82.6 | Confident | 88.1 | Confident | 90 Ų | 90 | 50.7 Ų | 50.7 | 63% | 0.629 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -73.7 | -20.3 | -178.6 | 60.4 | 0 | 0 | 0 | 0 | 113.5 | A337 A338 | A337-S341 PolarHBondContact O-N 2.99Å; A338-S341 PolarHBondContact O-N 3.26Å; A338-S341 PolarHBondContact O-OG 3.4Å |
| 342 | E | 80.8 | Confident | 88.8 | Confident | 63 Ų | 63 | 48.6 Ų | 48.6 | 29% | 0.294 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -108.5 | 174.9 | -176.7 | -62 | -75.7 | -170.6 | 0 | 0 | 111.6 | H307 V311 K315 K340 G344 | H307-E342 VanDerWaalsContact CE1-CG 3.46Å; H307-E342 WeakPolarHBondContact CE1-CG 3.25Å; H307-E342 WeakPolarHBondContact ND1-CB 3.41Å; H307-E342 WeakPolarHBondContact ND1-CG 3.37Å; V311-E342 HydrophobicContact CG1-CG 4.08Å; K315-E342 IonicContact NZ-OE1 3.93Å; K315-E342 PolarHBondContact NZ-OE1 3.13Å; K340-E342 VanDerWaalsContact C-N 3.27Å; K340-E342 PolarHBondContact O-N 3.43Å; E342-G344 PolarHBondContact O-N 3.07Å; E342-G344 VanDerWaalsContact O-N 3.14Å |
| 343 | K | 90.1 | Very high | 89.4 | Confident | 152 Ų | 152 | 52.1 Ų | 52.1 | 66% | 0.661 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | 1 | -176.4 | -64.6 | -177.6 | 179.7 | 178.9 | 0 | 115.3 | I310 V345 S346 L347 | I310-K343 HydrophobicContact CD1-CB 4Å; K343-V345 VanDerWaalsContact C-N 3.35Å; K343-V345 PolarHBondContact O-N 2.77Å; K343-S346 WeakPolarHBondContact CA-OG 3.44Å; K343-S346 PolarHBondContact O-N 3.46Å; K343-S346 PolarHBondContact O-OG 2.94Å; K343-L347 WeakPolarHBondContact O-CG 3.27Å; K343-L347 PolarHBondContact O-N 3.34Å |
| 344 | G | 89.6 | Confident | 90 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.5 | -42.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113 | E342 A348 | E342-G344 PolarHBondContact O-N 3.07Å; E342-G344 VanDerWaalsContact O-N 3.14Å; G344-A348 PolarHBondContact O-N 3.17Å |
| 345 | V | 91.9 | Very high | 90.7 | Very high | 24 Ų | 24 | 48.5 Ų | 48.5 | 15% | 0.145 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.1 | -45.1 | 176.9 | -178.7 | 0 | 0 | 0 | 0 | 111.2 | L283 F286 P303 V339 K343 L347 A348 V349 | L283-V345 HydrophobicContact CD2-CG1 3.99Å; F286-V345 HydrophobicContact CB-CG1 4.15Å; F286-V345 HydrophobicContact CB-CG2 4.01Å; F286-V345 HydrophobicContact CD1-CG2 3.97Å; F286-V345 HydrophobicContact CG-CG2 4.11Å; P303-V345 HydrophobicContact CB-CG2 4.19Å; V339-V345 HydrophobicContact CG1-CG2 4.09Å; K343-V345 VanDerWaalsContact C-N 3.35Å; K343-V345 PolarHBondContact O-N 2.77Å; V345-L347 PolarHBondContact O-N 3.23Å; V345-A348 PolarHBondContact O-N 2.95Å; V345-V349 WeakPolarHBondContact O-CG2 3.46Å; V345-V349 PolarHBondContact O-N 3.14Å |
| 346 | S | 92.4 | Very high | 91.1 | Very high | 55 Ų | 55 | 48.7 Ų | 48.7 | 39% | 0.385 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.3 | -41.5 | 179 | 46.6 | 0 | 0 | 0 | 0 | 112.4 | K343 A348 V349 D350 | K343-S346 WeakPolarHBondContact CA-OG 3.44Å; K343-S346 PolarHBondContact O-N 3.46Å; K343-S346 PolarHBondContact O-OG 2.94Å; S346-A348 VanDerWaalsContact C-N 3.34Å; S346-A348 PolarHBondContact O-N 3.16Å; S346-V349 PolarHBondContact O-N 3.4Å; S346-D350 PolarHBondContact O-N 3.46Å |
| 347 | L | 93.2 | Very high | 91.6 | Very high | 83 Ų | 83 | 51.7 Ų | 51.7 | 44% | 0.435 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.1 | -41.8 | 176.8 | -71 | 176.7 | 0 | 0 | 0 | 111.8 | F306 I310 K343 V345 D350 L351 | F306-L347 HydrophobicContact CB-CD1 4.36Å; F306-L347 HydrophobicContact CD2-CB 3.95Å; F306-L347 HydrophobicContact CG-CB 4.43Å; I310-L347 HydrophobicContact CD1-CD1 3.88Å; K343-L347 WeakPolarHBondContact O-CG 3.27Å; K343-L347 PolarHBondContact O-N 3.34Å; V345-L347 PolarHBondContact O-N 3.23Å; L347-D350 PolarHBondContact O-N 3.06Å; L347-L351 WeakPolarHBondContact O-CB 3.12Å; L347-L351 PolarHBondContact O-N 3.33Å |
| 348 | A | 93.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.4 | -37.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L279 L283 A302 P303 F306 G344 V345 S346 C352 | L279-A348 HydrophobicContact CD2-CB 4.32Å; L283-A348 HydrophobicContact CD1-CB 4.31Å; L283-A348 HydrophobicContact CD2-CB 3.81Å; L283-A348 HydrophobicContact CG-CB 4.16Å; A302-A348 HydrophobicContact CB-CB 4.21Å; P303-A348 HydrophobicContact CB-CB 4.47Å; P303-A348 HydrophobicContact CG-CB 3.83Å; F306-A348 HydrophobicContact CD2-CB 3.96Å; F306-A348 HydrophobicContact CE2-CB 3.95Å; G344-A348 PolarHBondContact O-N 3.17Å; V345-A348 PolarHBondContact O-N 2.95Å; S346-A348 VanDerWaalsContact C-N 3.34Å; S346-A348 PolarHBondContact O-N 3.16Å; A348-C352 WeakPolarHBondContact O-CB 3.21Å; A348-C352 PolarHBondContact O-N 3.47Å |
| 349 | V | 93.8 | Very high | 92.6 | Very high | 19 Ų | 19 | 52.6 Ų | 52.6 | 12% | 0.115 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.6 | -47 | 174.1 | 169.8 | 0 | 0 | 0 | 0 | 111 | L283 V345 S346 L351 C352 R353 F385 | L283-V349 HydrophobicContact CD1-CG2 3.92Å; L283-V349 HydrophobicContact CD2-CG2 3.77Å; V345-V349 WeakPolarHBondContact O-CG2 3.46Å; V345-V349 PolarHBondContact O-N 3.14Å; S346-V349 PolarHBondContact O-N 3.4Å; V349-L351 VanDerWaalsContact C-N 3.34Å; V349-L351 PolarHBondContact O-N 3.41Å; V349-C352 WeakPolarHBondContact O-CB 3.39Å; V349-C352 PolarHBondContact O-N 3.3Å; V349-R353 VanDerWaalsContact CG1-CZ 3.46Å; V349-R353 WeakPolarHBondContact O-CG 3.45Å; V349-R353 PolarHBondContact O-N 2.98Å; V349-F385 HydrophobicContact CG1-CE2 4.03Å |
| 350 | D | 94.7 | Very high | 92.9 | Very high | 84 Ų | 84 | 54 Ų | 54 | 45% | 0.449 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.8 | -37.9 | 180 | -69.6 | -26.2 | 0 | 0 | 0 | 112 | S346 L347 C352 R353 Y354 | S346-D350 PolarHBondContact O-N 3.46Å; L347-D350 PolarHBondContact O-N 3.06Å; D350-C352 VanDerWaalsContact C-N 3.33Å; D350-C352 PolarHBondContact O-N 3.2Å; D350-R353 WeakPolarHBondContact O-CB 3.3Å; D350-R353 PolarHBondContact O-N 2.89Å; D350-R353 IonicContact OD1-CZ 3.01Å; D350-R353 IonicContact OD1-NH1 3.23Å; D350-R353 PolarHBondContact OD1-NH1 2.86Å; D350-Y354 PolarHBondContact O-N 3.3Å |
| 351 | L | 95.4 | Very high | 93.4 | Very high | 32 Ų | 32 | 53.9 Ų | 53.9 | 17% | 0.168 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.5 | -35.9 | 174.3 | -169 | 64.7 | 0 | 0 | 0 | 112.3 | W233 E234 L279 F306 L347 V349 Y354 H355 | W233-L351 HydrophobicContact CE3-CD2 4.11Å; W233-L351 HydrophobicContact CZ3-CD2 4.14Å; E234-L351 HydrophobicContact CG-CD2 4Å; E234-L351 WeakPolarHBondContact OE1-CD1 3.17Å; L279-L351 HydrophobicContact CD1-CB 3.99Å; L279-L351 HydrophobicContact CD1-CD2 3.96Å; L279-L351 HydrophobicContact CD1-CG 3.72Å; L279-L351 HydrophobicContact CD2-CD2 4.21Å; F306-L351 HydrophobicContact CE2-CD2 4.18Å; F306-L351 HydrophobicContact CZ-CD2 3.73Å; L347-L351 WeakPolarHBondContact O-CB 3.12Å; L347-L351 PolarHBondContact O-N 3.33Å; V349-L351 VanDerWaalsContact C-N 3.34Å; V349-L351 PolarHBondContact O-N 3.41Å; L351-Y354 HydrophobicContact CD1-CD1 4.03Å; L351-Y354 WeakPolarHBondContact O-CB 3.39Å; L351-Y354 PolarHBondContact O-N 3.3Å; L351-H355 PolarHBondContact O-N 3.47Å |
| 352 | C | 94.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.9 | -42.8 | 176.3 | -171.2 | 0 | 0 | 0 | 0 | 111 | G276 L279 L283 A348 V349 D350 Y354 H355 S356 F385 | G276-C352 PolarHBondContact O-SG 3Å; G276-C352 VanDerWaalsContact O-SG 3.4Å; L279-C352 HydrophobicContact CB-CB 3.76Å; L279-C352 HydrophobicContact CD1-CB 4.09Å; L279-C352 HydrophobicContact CG-CB 4.5Å; L283-C352 HydrophobicContact CD1-CB 4.27Å; A348-C352 WeakPolarHBondContact O-CB 3.21Å; A348-C352 PolarHBondContact O-N 3.47Å; V349-C352 WeakPolarHBondContact O-CB 3.39Å; V349-C352 PolarHBondContact O-N 3.3Å; D350-C352 VanDerWaalsContact C-N 3.33Å; D350-C352 PolarHBondContact O-N 3.2Å; C352-Y354 VanDerWaalsContact C-N 3.35Å; C352-Y354 PolarHBondContact O-N 2.99Å; C352-H355 PolarHBondContact O-N 3.07Å; C352-S356 WeakPolarHBondContact O-CB 3.39Å; C352-S356 PolarHBondContact O-N 3.38Å; C352-F385 HydrophobicContact CB-CZ 3.83Å |
| 353 | R | 94.9 | Very high | 94.9 | Very high | 113 Ų | 113 | 46.9 Ų | 46.9 | 43% | 0.426 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -59.2 | -45.6 | 172.5 | -70.1 | 169.8 | -178.2 | 155.7 | -3.2 | 111.6 | V349 D350 H355 S356 N357 N383 | V349-R353 VanDerWaalsContact CG1-CZ 3.46Å; V349-R353 WeakPolarHBondContact O-CG 3.45Å; V349-R353 PolarHBondContact O-N 2.98Å; D350-R353 WeakPolarHBondContact O-CB 3.3Å; D350-R353 PolarHBondContact O-N 2.89Å; D350-R353 IonicContact OD1-CZ 3.01Å; D350-R353 IonicContact OD1-NH1 3.23Å; D350-R353 PolarHBondContact OD1-NH1 2.86Å; R353-H355 PolarHBondContact O-N 3.43Å; R353-S356 PolarHBondContact O-N 3.15Å; R353-N357 VanDerWaalsContact O-CG 3.32Å; R353-N357 PolarHBondContact O-N 3.26Å; R353-N357 PolarHBondContact O-ND2 3.26Å; R353-N383 WeakPolarHBondContact CG-OD1 3.22Å |
| 354 | Y | 96.5 | Very high | 95.1 | Very high | 117 Ų | 117 | 45.3 Ų | 45.3 | 46% | 0.459 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -55.6 | -52.3 | 177.9 | 169.1 | -105.8 | 0 | 0 | 0 | 111.5 | D350 L351 C352 S356 N357 R358 | D350-Y354 PolarHBondContact O-N 3.3Å; L351-Y354 HydrophobicContact CD1-CD1 4.03Å; L351-Y354 WeakPolarHBondContact O-CB 3.39Å; L351-Y354 PolarHBondContact O-N 3.3Å; C352-Y354 VanDerWaalsContact C-N 3.35Å; C352-Y354 PolarHBondContact O-N 2.99Å; Y354-S356 PolarHBondContact O-N 3.1Å; Y354-N357 PolarHBondContact O-N 3.32Å; Y354-R358 HydrophobicContact CD2-CG 4.13Å; Y354-R358 HydrophobicContact CE1-CG 4.2Å; Y354-R358 HydrophobicContact CE2-CG 3.71Å; Y354-R358 VanDerWaalsContact O-CG 3.3Å; Y354-R358 WeakPolarHBondContact O-CG 3.29Å; Y354-R358 PolarHBondContact O-N 3.43Å |
| 355 | H | 97.1 | Very high | 95.3 | Very high | 3 Ų | 3 | 48.5 Ų | 48.5 | 1% | 0.014 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.7 | -37.7 | 179.1 | -72.2 | -35.5 | 0 | 0 | 0 | 113.4 | E234 H272 L275 L351 C352 R353 N357 R358 A359 | E234-H355 IonicContact OE1-CE1 3.33Å; E234-H355 PolarHBondContact OE1-CE1 3.22Å; E234-H355 IonicContact OE1-NE2 3.65Å; E234-H355 PolarHBondContact OE1-NE2 2.87Å; E234-H355 VanDerWaalsContact OE1-NE2 3.09Å; H272-H355 HydrophobicContact CB-CB 4.43Å; H272-H355 WeakPolarHBondContact CB-O 3.32Å; H272-H355 AromaticContact CE1-ND1 3.76Å; H272-H355 AromaticContact ND1-CE1 3.81Å; H272-H355 AromaticContact ND1-CG 3.95Å; H272-H355 AromaticContact ND1-ND1 3.06Å; H272-H355 PolarHBondContact ND1-ND1 2.97Å; H272-H355 WeakPolarHBondContact O-CB 3.31Å; L275-H355 WeakPolarHBondContact CB-CD2 3.32Å; L351-H355 PolarHBondContact O-N 3.47Å; C352-H355 PolarHBondContact O-N 3.07Å; R353-H355 PolarHBondContact O-N 3.43Å; H355-N357 VanDerWaalsContact C-N 3.34Å; H355-N357 PolarHBondContact O-N 3.22Å; H355-R358 PolarHBondContact O-N 3.18Å; H355-A359 WeakPolarHBondContact O-CB 3.23Å; H355-A359 PolarHBondContact O-N 3.19Å |
| 356 | S | 94.9 | Very high | 95.4 | Very high | 4 Ų | 4 | 47.9 Ų | 47.9 | 3% | 0.028 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57.5 | -47.6 | 173.4 | 178.5 | 0 | 0 | 0 | 0 | 111.3 | C352 R353 Y354 A359 L360 A379 | C352-S356 WeakPolarHBondContact O-CB 3.39Å; C352-S356 PolarHBondContact O-N 3.38Å; R353-S356 PolarHBondContact O-N 3.15Å; Y354-S356 PolarHBondContact O-N 3.1Å; S356-A359 PolarHBondContact O-N 3.4Å; S356-L360 WeakPolarHBondContact O-CG 3.47Å; S356-L360 PolarHBondContact O-N 3.32Å; S356-A379 PolarHBondContact OG-O 3.16Å |
| 357 | N | 96.4 | Very high | 95.5 | Very high | 80 Ų | 80 | 49 Ų | 49 | 43% | 0.428 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64.5 | -42.6 | 178.1 | -69.2 | -17.6 | 0 | 0 | 0 | 112.5 | R353 Y354 H355 A359 L360 E361 | R353-N357 VanDerWaalsContact O-CG 3.32Å; R353-N357 PolarHBondContact O-N 3.26Å; R353-N357 PolarHBondContact O-ND2 3.26Å; Y354-N357 PolarHBondContact O-N 3.32Å; H355-N357 VanDerWaalsContact C-N 3.34Å; H355-N357 PolarHBondContact O-N 3.22Å; N357-A359 VanDerWaalsContact C-N 3.31Å; N357-A359 PolarHBondContact O-N 3.13Å; N357-L360 WeakPolarHBondContact O-CB 3.39Å; N357-L360 PolarHBondContact O-N 2.89Å; N357-E361 WeakPolarHBondContact O-CG 3.23Å; N357-E361 PolarHBondContact O-N 3.38Å |
| 358 | R | 98 | Very high | 95.6 | Very high | 97 Ų | 97 | 49.5 Ų | 49.5 | 37% | 0.366 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.4 | -35.5 | 176.5 | -69.1 | -67.1 | 97.5 | 160.9 | 11.4 | 112.7 | H272 Y354 H355 E361 A362 | H272-R358 HydrophobicContact CB-CB 4.15Å; H272-R358 VanDerWaalsContact CD2-CB 3.48Å; H272-R358 WeakPolarHBondContact CD2-CB 3.09Å; Y354-R358 HydrophobicContact CD2-CG 4.13Å; Y354-R358 HydrophobicContact CE1-CG 4.2Å; Y354-R358 HydrophobicContact CE2-CG 3.71Å; Y354-R358 VanDerWaalsContact O-CG 3.3Å; Y354-R358 WeakPolarHBondContact O-CG 3.29Å; Y354-R358 PolarHBondContact O-N 3.43Å; H355-R358 PolarHBondContact O-N 3.18Å; R358-E361 IonicContact CZ-OE1 3.65Å; R358-E361 VanDerWaalsContact CZ-OE1 3.22Å; R358-E361 IonicContact CZ-OE2 3.09Å; R358-E361 IonicContact NE-OE1 2.61Å; R358-E361 PolarHBondContact NE-OE1 2.85Å; R358-E361 IonicContact NE-OE2 2.6Å; R358-E361 PolarHBondContact NE-OE2 2.83Å; R358-E361 VanDerWaalsContact NE-OE2 3.16Å; R358-E361 IonicContact NH1-OE2 2.77Å; R358-E361 PolarHBondContact NH1-OE2 2.96Å; R358-E361 IonicContact NH2-OE1 2.72Å; R358-E361 PolarHBondContact NH2-OE1 3.02Å; R358-E361 IonicContact NH2-OE2 3.05Å; R358-E361 PolarHBondContact NH2-OE2 2.74Å; R358-A362 PolarHBondContact O-N 2.85Å; R358-A362 VanDerWaalsContact O-N 3.14Å |
| 359 | A | 97.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.5 | -44.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111 | Y269 H272 L273 H355 S356 N357 E361 A362 I363 A379 | Y269-A359 HydrophobicContact CD2-CB 4.1Å; Y269-A359 VanDerWaalsContact CD2-O 3.32Å; Y269-A359 WeakPolarHBondContact CD2-O 3.21Å; Y269-A359 HydrophobicContact CE2-CB 4.22Å; H272-A359 HydrophobicContact CB-CB 3.93Å; L273-A359 HydrophobicContact CB-CB 4.5Å; H355-A359 WeakPolarHBondContact O-CB 3.23Å; H355-A359 PolarHBondContact O-N 3.19Å; S356-A359 PolarHBondContact O-N 3.4Å; N357-A359 VanDerWaalsContact C-N 3.31Å; N357-A359 PolarHBondContact O-N 3.13Å; A359-E361 PolarHBondContact O-N 3.4Å; A359-A362 PolarHBondContact O-N 2.53Å; A359-I363 PolarHBondContact O-N 3.38Å; A359-I363 VanDerWaalsContact O-N 3.12Å; A359-A379 HydrophobicContact CB-CB 4.13Å |
| 360 | L | 96.5 | Very high | 95.7 | Very high | 31 Ų | 31 | 57.2 Ų | 57.2 | 16% | 0.162 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58.9 | -44.8 | 176.6 | -70.6 | 172.3 | 0 | 0 | 0 | 112.4 | S356 N357 A362 I363 Q364 E376 A379 | S356-L360 WeakPolarHBondContact O-CG 3.47Å; S356-L360 PolarHBondContact O-N 3.32Å; N357-L360 WeakPolarHBondContact O-CB 3.39Å; N357-L360 PolarHBondContact O-N 2.89Å; L360-A362 VanDerWaalsContact C-N 3.35Å; L360-A362 PolarHBondContact O-N 3.02Å; L360-I363 VanDerWaalsContact O-CG2 3.29Å; L360-I363 WeakPolarHBondContact O-CG2 3.48Å; L360-I363 PolarHBondContact O-N 3.49Å; L360-Q364 VanDerWaalsContact O-CG 3.26Å; L360-Q364 WeakPolarHBondContact O-CG 3.46Å; L360-Q364 PolarHBondContact O-N 3.1Å; L360-Q364 VanDerWaalsContact O-N 3.12Å; L360-E376 HydrophobicContact CD2-CB 3.93Å; L360-E376 HydrophobicContact CD2-CG 4.16Å; L360-E376 WeakPolarHBondContact CD2-O 3.46Å; L360-A379 HydrophobicContact CD2-CB 3.87Å; L360-A379 HydrophobicContact CG-CB 4.13Å |
| 361 | E | 97.1 | Very high | 95.7 | Very high | 84 Ų | 84 | 53.3 Ų | 53.3 | 39% | 0.393 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.7 | -40.1 | 177.6 | -72 | 168.8 | -145 | 0 | 0 | 112.6 | N357 R358 A359 I363 Q364 | N357-E361 WeakPolarHBondContact O-CG 3.23Å; N357-E361 PolarHBondContact O-N 3.38Å; R358-E361 IonicContact CZ-OE1 3.65Å; R358-E361 VanDerWaalsContact CZ-OE1 3.22Å; R358-E361 IonicContact CZ-OE2 3.09Å; R358-E361 IonicContact NE-OE1 2.61Å; R358-E361 PolarHBondContact NE-OE1 2.85Å; R358-E361 IonicContact NE-OE2 2.6Å; R358-E361 PolarHBondContact NE-OE2 2.83Å; R358-E361 VanDerWaalsContact NE-OE2 3.16Å; R358-E361 IonicContact NH1-OE2 2.77Å; R358-E361 PolarHBondContact NH1-OE2 2.96Å; R358-E361 IonicContact NH2-OE1 2.72Å; R358-E361 PolarHBondContact NH2-OE1 3.02Å; R358-E361 IonicContact NH2-OE2 3.05Å; R358-E361 PolarHBondContact NH2-OE2 2.74Å; A359-E361 PolarHBondContact O-N 3.4Å; E361-I363 VanDerWaalsContact C-N 3.32Å; E361-I363 PolarHBondContact O-N 3.07Å; E361-Q364 PolarHBondContact O-N 3.19Å |
| 362 | A | 97.7 | Very high | 95.8 | Very high | 6 Ų | 6 | 54 Ų | 54 | 5% | 0.05 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.9 | -37.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L268 R358 A359 L360 | L268-A362 HydrophobicContact CB-CB 4.14Å; R358-A362 PolarHBondContact O-N 2.85Å; R358-A362 VanDerWaalsContact O-N 3.14Å; A359-A362 PolarHBondContact O-N 2.53Å; L360-A362 VanDerWaalsContact C-N 3.35Å; L360-A362 PolarHBondContact O-N 3.02Å |
| 363 | I | 96.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -81.1 | -24 | -177.6 | -162.4 | 60.5 | 0 | 0 | 0 | 113.5 | L105 Y269 A359 L360 E361 A365 F366 R372 L375 E376 | L105-I363 HydrophobicContact CD1-CD1 3.42Å; L105-I363 VanDerWaalsContact CD1-CD1 3.42Å; Y269-I363 HydrophobicContact CD2-CB 3.7Å; Y269-I363 HydrophobicContact CD2-CD1 4.46Å; Y269-I363 HydrophobicContact CD2-CG1 4.34Å; Y269-I363 HydrophobicContact CD2-CG2 4.3Å; Y269-I363 HydrophobicContact CE2-CB 3.93Å; Y269-I363 HydrophobicContact CE2-CG1 4.32Å; Y269-I363 HydrophobicContact CE2-CG2 4.18Å; A359-I363 PolarHBondContact O-N 3.38Å; A359-I363 VanDerWaalsContact O-N 3.12Å; L360-I363 VanDerWaalsContact O-CG2 3.29Å; L360-I363 WeakPolarHBondContact O-CG2 3.48Å; L360-I363 PolarHBondContact O-N 3.49Å; E361-I363 VanDerWaalsContact C-N 3.32Å; E361-I363 PolarHBondContact O-N 3.07Å; I363-A365 PolarHBondContact O-N 2.97Å; I363-F366 HydrophobicContact CD1-CB 4.35Å; I363-F366 HydrophobicContact CD1-CD2 3.75Å; I363-F366 HydrophobicContact CD1-CE2 4.29Å; I363-F366 HydrophobicContact CD1-CG 4.12Å; I363-F366 WeakPolarHBondContact O-CB 3.17Å; I363-F366 PolarHBondContact O-N 3.26Å; I363-R372 HydrophobicContact CG1-CG 3.85Å; I363-R372 WeakPolarHBondContact O-CD 3.37Å; I363-L375 HydrophobicContact CD1-CB 4.38Å; I363-L375 HydrophobicContact CD1-CD1 3.53Å; I363-L375 HydrophobicContact CG1-CB 3.94Å; I363-L375 HydrophobicContact CG1-CD1 4Å; I363-E376 HydrophobicContact CG2-CG 3.7Å |
| 364 | Q | 95.5 | Very high | 95.8 | Very high | 120 Ų | 120 | 51.1 Ų | 51.1 | 56% | 0.561 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -61.9 | -24.5 | 178.4 | -81.3 | 171.6 | -3.2 | 0 | 0 | 113.9 | L360 E361 F366 | L360-Q364 VanDerWaalsContact O-CG 3.26Å; L360-Q364 WeakPolarHBondContact O-CG 3.46Å; L360-Q364 PolarHBondContact O-N 3.1Å; L360-Q364 VanDerWaalsContact O-N 3.12Å; E361-Q364 PolarHBondContact O-N 3.19Å; Q364-F366 PolarHBondContact O-N 3.33Å |
| 365 | A | 92.5 | Very high | 95.8 | Very high | 66 Ų | 66 | 45.6 Ų | 45.6 | 55% | 0.545 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -15 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | L265 I363 | L265-A365 HydrophobicContact CD1-CB 3.6Å; L265-A365 HydrophobicContact CD2-CB 4.47Å; I363-A365 PolarHBondContact O-N 2.97Å |
| 366 | F | 95.3 | Very high | 95.7 | Very high | 12 Ų | 12 | 47.5 Ų | 47.5 | 5% | 0.053 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -84.6 | 155.2 | 177.1 | -69.8 | -97.9 | 0 | 0 | 0 | 111.8 | L105 A109 M253 L265 A266 I363 Q364 R372 | L105-F366 HydrophobicContact CD1-CE1 4.47Å; L105-F366 HydrophobicContact CD1-CE2 4.36Å; L105-F366 HydrophobicContact CD1-CZ 4.23Å; A109-F366 HydrophobicContact CB-CD1 3.72Å; A109-F366 HydrophobicContact CB-CE1 3.77Å; M253-F366 HydrophobicContact SD-CE1 3.8Å; M253-F366 HydrophobicContact SD-CZ 4.39Å; L265-F366 HydrophobicContact CB-CE2 3.84Å; L265-F366 HydrophobicContact CB-CZ 4.26Å; A266-F366 HydrophobicContact CB-CZ 4.16Å; I363-F366 HydrophobicContact CD1-CB 4.35Å; I363-F366 HydrophobicContact CD1-CD2 3.75Å; I363-F366 HydrophobicContact CD1-CE2 4.29Å; I363-F366 HydrophobicContact CD1-CG 4.12Å; I363-F366 WeakPolarHBondContact O-CB 3.17Å; I363-F366 PolarHBondContact O-N 3.26Å; Q364-F366 PolarHBondContact O-N 3.33Å; F366-R372 WeakPolarHBondContact O-CD 3.5Å; F366-R372 PolarHBondContact O-NH1 2.8Å |
| 367 | P | 94.3 | Very high | 95.6 | Very high | 79 Ų | 79 | 51.8 Ų | 51.8 | 51% | 0.513 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -55 | 141.6 | 179.2 | -26.5 | 34.5 | 0 | 0 | 0 | 113.9 | S369 R372 | P367-S369 PolarHBondContact O-N 2.97Å; P367-S369 PolarHBondContact O-OG 3.47Å; P367-R372 WeakPolarHBondContact O-CD 3.27Å |
| 368 | S | 95.1 | Very high | 95.3 | Very high | 93 Ų | 93 | 48.1 Ų | 48.1 | 65% | 0.65 | 26% | 0.262 | S | S | * | . | P | Polyproline II helix | trans | -61.7 | 122.7 | 176.7 | -176.1 | 0 | 0 | 0 | 0 | 111 | R372 | S368-R372 VanDerWaalsContact CA-CZ 3.4Å; S368-R372 VanDerWaalsContact CA-NH1 3.33Å; S368-R372 PolarHBondContact OG-NH2 3.31Å |
| 369 | S | 95.5 | Very high | 95 | Very high | 36 Ų | 36 | 43.5 Ų | 43.5 | 25% | 0.252 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -159 | 166.2 | -179.3 | 59.9 | 0 | 0 | 0 | 0 | 110.7 | P367 A371 R372 S373 | P367-S369 PolarHBondContact O-N 2.97Å; P367-S369 PolarHBondContact O-OG 3.47Å; S369-A371 PolarHBondContact O-N 2.8Å; S369-R372 PolarHBondContact O-N 2.74Å; S369-R372 WeakPolarHBondContact OG-CB 3.4Å; S369-R372 PolarHBondContact OG-N 3.03Å; S369-R372 VanDerWaalsContact OG-N 3.08Å; S369-S373 PolarHBondContact O-N 3.35Å; S369-S373 PolarHBondContact O-OG 3.29Å |
| 370 | E | 94.5 | Very high | 94.7 | Very high | 144 Ų | 144 | 45.6 Ų | 45.6 | 67% | 0.673 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -58.6 | -37.9 | 170.3 | -65.9 | -177 | 169 | 0 | 0 | 111.4 | I45 S373 A374 | I45-E370 HydrophobicContact CD1-CB 4.3Å; I45-E370 HydrophobicContact CG2-CB 4.4Å; E370-S373 PolarHBondContact O-N 3.47Å; E370-A374 WeakPolarHBondContact O-CB 3.49Å; E370-A374 PolarHBondContact O-N 3.27Å |
| 371 | A | 94.7 | Very high | 94.3 | Very high | 2 Ų | 2 | 44.6 Ų | 44.6 | 2% | 0.017 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65 | -43.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | I45 L104 K107 A108 S369 A374 L375 | I45-A371 HydrophobicContact CG2-CB 4.02Å; L104-A371 HydrophobicContact CD2-CB 4.36Å; K107-A371 HydrophobicContact CB-CB 3.92Å; K107-A371 HydrophobicContact CD-CB 4.07Å; K107-A371 HydrophobicContact CG-CB 4.02Å; A108-A371 HydrophobicContact CB-CB 3.97Å; S369-A371 PolarHBondContact O-N 2.8Å; A371-A374 PolarHBondContact O-N 2.95Å; A371-L375 WeakPolarHBondContact O-CG 3.46Å; A371-L375 PolarHBondContact O-N 3.16Å |
| 372 | R | 96.4 | Very high | 93.6 | Very high | 47 Ų | 47 | 40.9 Ų | 40.9 | 18% | 0.177 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.7 | -46.1 | 173.6 | -163.2 | -170.5 | 73.2 | -166.3 | -6.4 | 111.2 | A108 I363 F366 P367 S368 S369 A374 L375 E376 | A108-R372 HydrophobicContact CB-CB 4.19Å; I363-R372 HydrophobicContact CG1-CG 3.85Å; I363-R372 WeakPolarHBondContact O-CD 3.37Å; F366-R372 WeakPolarHBondContact O-CD 3.5Å; F366-R372 PolarHBondContact O-NH1 2.8Å; P367-R372 WeakPolarHBondContact O-CD 3.27Å; S368-R372 VanDerWaalsContact CA-CZ 3.4Å; S368-R372 VanDerWaalsContact CA-NH1 3.33Å; S368-R372 PolarHBondContact OG-NH2 3.31Å; S369-R372 PolarHBondContact O-N 2.74Å; S369-R372 WeakPolarHBondContact OG-CB 3.4Å; S369-R372 PolarHBondContact OG-N 3.03Å; S369-R372 VanDerWaalsContact OG-N 3.08Å; R372-A374 VanDerWaalsContact C-N 3.29Å; R372-A374 PolarHBondContact O-N 3.24Å; R372-L375 WeakPolarHBondContact O-CB 3.35Å; R372-L375 PolarHBondContact O-N 3.42Å; R372-L375 VanDerWaalsContact O-N 3.14Å; R372-E376 IonicContact CZ-OE1 3.72Å; R372-E376 IonicContact NE-OE1 2.92Å; R372-E376 PolarHBondContact NE-OE1 2.97Å; R372-E376 IonicContact NH2-OE1 3.92Å; R372-E376 WeakPolarHBondContact O-CG 3.34Å; R372-E376 PolarHBondContact O-N 2.78Å |
| 373 | S | 96.3 | Very high | 92.7 | Very high | 45 Ų | 45 | 42.9 Ų | 42.9 | 32% | 0.315 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.4 | -37.4 | 178.4 | -52.7 | 0 | 0 | 0 | 0 | 111.9 | S369 E370 E376 N377 | S369-S373 PolarHBondContact O-N 3.35Å; S369-S373 PolarHBondContact O-OG 3.29Å; E370-S373 PolarHBondContact O-N 3.47Å; S373-E376 PolarHBondContact O-N 2.66Å; S373-N377 WeakPolarHBondContact O-CB 3.42Å; S373-N377 PolarHBondContact O-N 3.42Å; S373-N377 PolarHBondContact O-ND2 3.27Å; S373-N377 VanDerWaalsContact O-ND2 3.15Å |
| 374 | A | 93.6 | Very high | 91.8 | Very high | 8 Ų | 8 | 48.2 Ų | 48.2 | 7% | 0.066 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.4 | -42.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A42 I45 L104 E370 A371 R372 N377 I378 | A42-A374 HydrophobicContact CB-CB 4.1Å; I45-A374 HydrophobicContact CD1-CB 3.62Å; L104-A374 HydrophobicContact CD2-CB 4.12Å; E370-A374 WeakPolarHBondContact O-CB 3.49Å; E370-A374 PolarHBondContact O-N 3.27Å; A371-A374 PolarHBondContact O-N 2.95Å; R372-A374 VanDerWaalsContact C-N 3.29Å; R372-A374 PolarHBondContact O-N 3.24Å; A374-N377 PolarHBondContact O-N 3.06Å; A374-I378 VanDerWaalsContact O-CG1 3.27Å; A374-I378 WeakPolarHBondContact O-CG1 3.1Å; A374-I378 PolarHBondContact O-N 3.39Å |
| 375 | L | 95.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.7 | -42.9 | 174.4 | -69.3 | 167.3 | 0 | 0 | 0 | 111.7 | I101 L104 L105 A108 Y269 I363 A371 R372 N377 I378 A379 | I101-L375 HydrophobicContact CD1-CD2 3.66Å; I101-L375 HydrophobicContact CG2-CD2 4.32Å; L104-L375 HydrophobicContact CB-CD1 4.09Å; L104-L375 HydrophobicContact CB-CD2 3.66Å; L104-L375 HydrophobicContact CB-CG 3.82Å; L104-L375 HydrophobicContact CD1-CD2 4.02Å; L104-L375 HydrophobicContact CD1-CG 4.43Å; L105-L375 HydrophobicContact CB-CD1 4.25Å; L105-L375 HydrophobicContact CD1-CD1 4.04Å; A108-L375 HydrophobicContact CB-CD1 4.14Å; Y269-L375 HydrophobicContact CE1-CD2 3.68Å; Y269-L375 HydrophobicContact CE2-CB 4.26Å; Y269-L375 WeakPolarHBondContact OH-CA 3.38Å; Y269-L375 WeakPolarHBondContact OH-CB 3.27Å; Y269-L375 VanDerWaalsContact OH-CD2 3.27Å; Y269-L375 WeakPolarHBondContact OH-CD2 3.34Å; Y269-L375 PolarHBondContact OH-O 3.31Å; Y269-L375 VanDerWaalsContact OH-O 3.09Å; I363-L375 HydrophobicContact CD1-CB 4.38Å; I363-L375 HydrophobicContact CD1-CD1 3.53Å; I363-L375 HydrophobicContact CG1-CB 3.94Å; I363-L375 HydrophobicContact CG1-CD1 4Å; A371-L375 WeakPolarHBondContact O-CG 3.46Å; A371-L375 PolarHBondContact O-N 3.16Å; R372-L375 WeakPolarHBondContact O-CB 3.35Å; R372-L375 PolarHBondContact O-N 3.42Å; R372-L375 VanDerWaalsContact O-N 3.14Å; L375-N377 VanDerWaalsContact C-N 3.34Å; L375-N377 PolarHBondContact O-N 2.91Å; L375-I378 PolarHBondContact O-N 2.78Å; L375-A379 WeakPolarHBondContact O-CB 3.44Å; L375-A379 PolarHBondContact O-N 3.27Å |
| 376 | E | 95.6 | Very high | 90.4 | Very high | 44 Ų | 44 | 44.7 Ų | 44.7 | 21% | 0.206 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.8 | -43.4 | 173.9 | -69.9 | 166.7 | -167.6 | 0 | 0 | 111.8 | L360 I363 R372 S373 A379 S380 | L360-E376 HydrophobicContact CD2-CB 3.93Å; L360-E376 HydrophobicContact CD2-CG 4.16Å; L360-E376 WeakPolarHBondContact CD2-O 3.46Å; I363-E376 HydrophobicContact CG2-CG 3.7Å; R372-E376 IonicContact CZ-OE1 3.72Å; R372-E376 IonicContact NE-OE1 2.92Å; R372-E376 PolarHBondContact NE-OE1 2.97Å; R372-E376 IonicContact NH2-OE1 3.92Å; R372-E376 WeakPolarHBondContact O-CG 3.34Å; R372-E376 PolarHBondContact O-N 2.78Å; S373-E376 PolarHBondContact O-N 2.66Å; E376-A379 PolarHBondContact O-N 2.82Å; E376-S380 WeakPolarHBondContact O-CB 3.45Å; E376-S380 PolarHBondContact O-N 3.11Å; E376-S380 PolarHBondContact O-OG 2.92Å |
| 377 | N | 92.5 | Very high | 90.1 | Very high | 94 Ų | 94 | 46.4 Ų | 46.4 | 50% | 0.503 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.8 | -41.9 | 176.4 | -74.5 | -31.5 | 0 | 0 | 0 | 112.2 | V38 S373 A374 L375 S380 A381 | V38-N377 HydrophobicContact CG1-CB 4.25Å; S373-N377 WeakPolarHBondContact O-CB 3.42Å; S373-N377 PolarHBondContact O-N 3.42Å; S373-N377 PolarHBondContact O-ND2 3.27Å; S373-N377 VanDerWaalsContact O-ND2 3.15Å; A374-N377 PolarHBondContact O-N 3.06Å; L375-N377 VanDerWaalsContact C-N 3.34Å; L375-N377 PolarHBondContact O-N 2.91Å; N377-S380 PolarHBondContact O-N 3.49Å; N377-A381 WeakPolarHBondContact O-CB 3.42Å; N377-A381 PolarHBondContact O-N 3.45Å |
| 378 | I | 90.7 | Very high | 89.9 | Confident | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.5 | -50.4 | 176 | -69.5 | 164.9 | 0 | 0 | 0 | 110.3 | W35 V38 A42 I101 L104 L273 A374 L375 S380 A381 V382 | W35-I378 HydrophobicContact CH2-CG2 3.71Å; W35-I378 HydrophobicContact CZ3-CG2 4.14Å; V38-I378 HydrophobicContact CG1-CB 4.4Å; V38-I378 HydrophobicContact CG1-CG1 3.54Å; A42-I378 HydrophobicContact CB-CD1 4.16Å; I101-I378 HydrophobicContact CD1-CD1 3.7Å; I101-I378 HydrophobicContact CD1-CG2 4.06Å; L104-I378 HydrophobicContact CD1-CD1 3.78Å; L273-I378 HydrophobicContact CD1-CG2 3.99Å; L273-I378 HydrophobicContact CD2-CG2 4.31Å; A374-I378 VanDerWaalsContact O-CG1 3.27Å; A374-I378 WeakPolarHBondContact O-CG1 3.1Å; A374-I378 PolarHBondContact O-N 3.39Å; L375-I378 PolarHBondContact O-N 2.78Å; I378-S380 VanDerWaalsContact C-N 3.27Å; I378-S380 PolarHBondContact O-N 2.86Å; I378-A381 PolarHBondContact O-N 3.14Å; I378-A381 VanDerWaalsContact O-N 3.12Å; I378-V382 PolarHBondContact O-N 3.08Å |
| 379 | A | 92.1 | Very high | 89.6 | Confident | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.008 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.5 | -37.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y269 L273 S356 A359 L360 L375 E376 | Y269-A379 HydrophobicContact CE2-CB 4.43Å; L273-A379 HydrophobicContact CD1-CB 4.31Å; S356-A379 PolarHBondContact OG-O 3.16Å; A359-A379 HydrophobicContact CB-CB 4.13Å; L360-A379 HydrophobicContact CD2-CB 3.87Å; L360-A379 HydrophobicContact CG-CB 4.13Å; L375-A379 WeakPolarHBondContact O-CB 3.44Å; L375-A379 PolarHBondContact O-N 3.27Å; E376-A379 PolarHBondContact O-N 2.82Å |
| 380 | S | 91.1 | Very high | 89.2 | Confident | 44 Ų | 44 | 42.1 Ų | 42.1 | 31% | 0.308 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -70.3 | -35.3 | 176.3 | -60.3 | 0 | 0 | 0 | 0 | 112.8 | E376 N377 I378 V382 N383 | E376-S380 WeakPolarHBondContact O-CB 3.45Å; E376-S380 PolarHBondContact O-N 3.11Å; E376-S380 PolarHBondContact O-OG 2.92Å; N377-S380 PolarHBondContact O-N 3.49Å; I378-S380 VanDerWaalsContact C-N 3.27Å; I378-S380 PolarHBondContact O-N 2.86Å; S380-V382 VanDerWaalsContact C-N 3.31Å; S380-V382 PolarHBondContact O-N 3.08Å; S380-N383 PolarHBondContact O-N 3.33Å |
| 381 | A | 86.7 | Confident | 88.9 | Confident | 10 Ų | 10 | 35.3 Ų | 35.3 | 8% | 0.083 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -69.4 | -28.7 | 180 | 0 | 0 | 0 | 0 | 0 | 112.6 | W35 N377 I378 N383 K384 | W35-A381 HydrophobicContact CE3-CB 3.71Å; W35-A381 HydrophobicContact CZ3-CB 3.87Å; N377-A381 WeakPolarHBondContact O-CB 3.42Å; N377-A381 PolarHBondContact O-N 3.45Å; I378-A381 PolarHBondContact O-N 3.14Å; I378-A381 VanDerWaalsContact O-N 3.12Å; A381-N383 PolarHBondContact O-N 2.92Å; A381-K384 PolarHBondContact O-N 3.15Å; A381-K384 VanDerWaalsContact O-N 3.09Å |
| 382 | V | 83.2 | Confident | 88.5 | Confident | 5 Ų | 5 | 37.7 Ų | 37.7 | 3% | 0.03 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -28.4 | 174.3 | 168.7 | 0 | 0 | 0 | 0 | 112.7 | W35 L273 G276 H277 N280 I378 S380 K384 | W35-V382 HydrophobicContact CH2-CG2 3.99Å; W35-V382 HydrophobicContact CZ3-CG2 3.81Å; L273-V382 HydrophobicContact CD1-CG2 3.87Å; G276-V382 VanDerWaalsContact O-CG1 3.27Å; G276-V382 WeakPolarHBondContact O-CG1 3.42Å; H277-V382 HydrophobicContact CB-CG2 4.47Å; N280-V382 HydrophobicContact CB-CG1 4.35Å; N280-V382 WeakPolarHBondContact CB-O 3.37Å; N280-V382 PolarHBondContact ND2-O 3.08Å; I378-V382 PolarHBondContact O-N 3.08Å; S380-V382 VanDerWaalsContact C-N 3.31Å; S380-V382 PolarHBondContact O-N 3.08Å; V382-K384 VanDerWaalsContact C-N 3.34Å |
| 383 | N | 79.6 | Confident | 87.9 | Confident | 48 Ų | 48 | 37 Ų | 37 | 26% | 0.257 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 4.9 | -179.7 | -170.6 | 23.5 | 0 | 0 | 0 | 113.6 | R353 S380 A381 F385 | R353-N383 WeakPolarHBondContact CG-OD1 3.22Å; S380-N383 PolarHBondContact O-N 3.33Å; A381-N383 PolarHBondContact O-N 2.92Å; N383-F385 WeakPolarHBondContact O-CD2 3.13Å; N383-F385 WeakPolarHBondContact O-CE2 3.27Å |
| 384 | K | 77.9 | Confident | 87.2 | Confident | 113 Ų | 113 | 36.3 Ų | 36.3 | 49% | 0.491 | 19% | 0.188 | S | C | . | . | trans | -94.1 | 116.3 | 178.4 | -63.2 | -176.8 | -177 | 176.3 | 0 | 109.3 | N280 A381 V382 | N280-K384 PolarHBondContact ND2-O 2.96Å; A381-K384 PolarHBondContact O-N 3.15Å; A381-K384 VanDerWaalsContact O-N 3.09Å; V382-K384 VanDerWaalsContact C-N 3.34Å | ||
| 385 | F | 67.4 | Low | 86.6 | Confident | 67 Ų | 67 | 38.9 Ų | 38.9 | 29% | 0.294 | 20% | 0.199 | S | C | . | . | trans | -102.8 | 0 | -179.6 | -55.3 | -74.7 | 0 | 0 | 0 | 112.1 | N280 L283 V287 K288 V349 C352 N383 | N280-F385 HydrophobicContact CB-CE1 4.35Å; N280-F385 WeakPolarHBondContact ND2-CE1 3.48Å; L283-F385 HydrophobicContact CB-CD1 4.16Å; L283-F385 HydrophobicContact CB-CE1 3.98Å; L283-F385 HydrophobicContact CD1-CD1 4.17Å; L283-F385 HydrophobicContact CD1-CE1 3.3Å; L283-F385 HydrophobicContact CD1-CZ 3.61Å; L283-F385 HydrophobicContact CG-CE1 4.27Å; V287-F385 HydrophobicContact CB-CB 4.35Å; V287-F385 HydrophobicContact CG1-CB 3.81Å; V287-F385 HydrophobicContact CG2-CB 4.35Å; K288-F385 WeakPolarHBondContact CE-OXT 3.32Å; V349-F385 HydrophobicContact CG1-CE2 4.03Å; C352-F385 HydrophobicContact CB-CZ 3.83Å; N383-F385 WeakPolarHBondContact O-CD2 3.13Å; N383-F385 WeakPolarHBondContact O-CE2 3.27Å |
Retrieved 385 of 385 residues in 593.5 ms
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